From 4ece30eb3057406c36fe069b264d4640b6627901 Mon Sep 17 00:00:00 2001 From: Scott R Charlton Date: Tue, 11 May 2010 03:49:21 +0000 Subject: [PATCH] removed ex1.in git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4370 1feff8c3-07ed-0310-ac33-dd36852eb9cd --- tests/ex1.in | 71 ---------------------------------------------------- 1 file changed, 71 deletions(-) delete mode 100644 tests/ex1.in diff --git a/tests/ex1.in b/tests/ex1.in deleted file mode 100644 index 7ca7ceb0..00000000 --- a/tests/ex1.in +++ /dev/null @@ -1,71 +0,0 @@ -TITLE Example 1.--Add uranium and speciate seawater. -SOLUTION 1 SEAWATER FROM NORDSTROM ET AL. (1979) - units ppm - pH 8.22 - pe 8.451 - density 1.023 - temp 25.0 - redox O(0)/O(-2) - Ca 412.3 - Mg 1291.8 - Na 10768.0 - K 399.1 - Fe 0.002 - Mn 0.0002 pe - Si 4.28 - Cl 19353.0 - Alkalinity 141.682 as HCO3 - S(6) 2712.0 - N(5) 0.29 gfw 62.0 - N(-3) 0.03 as NH4 - U 3.3 ppb N(5)/N(-3) - O(0) 1.0 O2(g) -0.7 -SOLUTION_MASTER_SPECIES - U U+4 0.0 238.0290 238.0290 - U(4) U+4 0.0 238.0290 - U(5) UO2+ 0.0 238.0290 - U(6) UO2+2 0.0 238.0290 -SOLUTION_SPECIES - #primary master species for U - #is also secondary master species for U(4) - U+4 = U+4 - log_k 0.0 - U+4 + 4 H2O = U(OH)4 + 4 H+ - log_k -8.538 - delta_h 24.760 kcal - U+4 + 5 H2O = U(OH)5- + 5 H+ - log_k -13.147 - delta_h 27.580 kcal - #secondary master species for U(5) - U+4 + 2 H2O = UO2+ + 4 H+ + e- - log_k -6.432 - delta_h 31.130 kcal - #secondary master species for U(6) - U+4 + 2 H2O = UO2+2 + 4 H+ + 2 e- - log_k -9.217 - delta_h 34.430 kcal - UO2+2 + H2O = UO2OH+ + H+ - log_k -5.782 - delta_h 11.015 kcal - 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.626 - delta_h -36.04 kcal - 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.641 - delta_h -44.27 kcal - UO2+2 + CO3-2 = UO2CO3 - log_k 10.064 - delta_h 0.84 kcal - UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 16.977 - delta_h 3.48 kcal - UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.397 - delta_h -8.78 kcal -PHASES - Uraninite - UO2 + 4 H+ = U+4 + 2 H2O - log_k -3.490 - delta_h -18.630 kcal -END -