diff --git a/data/SimComp2D.R b/data/SimComp2D.R deleted file mode 100644 index e605aef7a..000000000 --- a/data/SimComp2D.R +++ /dev/null @@ -1,128 +0,0 @@ -## chemical database -db <- RPhreeFile("mdl_quint_kin.dat", is.db=TRUE) -phreeqc::phrLoadDatabaseString(db) - -## only the directory -demodir <- system.file("extdata", "demo_rtwithmufits", package="Rmufits") - -prop <- c("Al", "C","Ca","Cl","Fe", "K", "Mg","Na", "Si", "pH", ## "pe", - "Albite", "Calcite", "Chlorite", "Illite", "Kaolinite") - -signif_vector <- c(7,7,7,7,7,7,7,7,7,6, 5,5,5,5,5) -prop_type <- rep("normal", length(signif_vector)) - -base <- c("SOLUTION 1", - "units mol/kgw", - "pH 6.77", - "temp 35", - "-water 1", - "Al 8.06386e-09", - "C 0.0006108294", - "Ca 0.09709463", - "Cl 4.340042", - "Fe 1.234357e-05", - "K 0.01117434", - "Mg 0.0406959", - "Na 4.189209", - "Si 0.0001935754", - "INCREMENTAL_REACTIONS true", - "KINETICS 1 ", - "-steps 86400", - "-bad_step_max 10000", - "-cvode true", - "Albite", - "-m 8.432165", ## 1540.0", - "-parms 01.54 100", - "Calcite", - "-m 0.0", - "-parms 10 100", - "Chlorite", - "-m 1.106585", ## 202.100", - "-parms 64.84 100", - "Illite", - "-m 0.9549153", ## 174.400", - "-parms 43.38 100", - "Kaolinite", - "-m 0.0", - "-parms 29.17 100", - "END") - -selout <- c("KNOBS", - "-convergence_tolerance 1E-6", - "SELECTED_OUTPUT", - "-reset false", - "USER_PUNCH", - "-head Al C Ca Cl Fe K Mg Na Si pH Albite Calcite Chlorite Illite Kaolinite", ## pe - "10 PUNCH TOT(\"Al\"), TOT(\"C\"), TOT(\"Ca\"), TOT(\"Cl\"), TOT(\"Fe\"), TOT(\"K\"), TOT(\"Mg\"), TOT(\"Na\"), TOT(\"Si\"), -LA(\"H+\"), KIN(\"Albite\"), KIN(\"Calcite\"), KIN(\"Chlorite\"), KIN(\"Illite\"), KIN(\"Kaolinite\")" ) - -## Define initial conditions as equilibrium with primary minerals -ipr <- c(Al = 8.689e-10, - C = 0.0006108, - Ca = 0.09709, - Cl = 4.34, - Fe = 1.802e-06, - K = 0.01131, - Mg = 0.04074, - Na = 4.189, - Si = 7.653e-05, - pH = 6.889, - Albite = 5.0, - Calcite = 0.0, - Chlorite = 10.0, - Illite = 2.0, - Kaolinite = 0.0 - ) - -initstate <- matrix(rep(ipr, 2500), byrow=TRUE, ncol=length(ipr)) -colnames(initstate) <- names(ipr) - -vecinj <- c(Al= 8.694e-10, - C = 8.182e-01, - Ca= 9.710e-02, - Cl= 4.340e+00, - Fe= 1.778e-06, - K = 1.131e-02, - Mg= 4.074e-02, - Na= 4.189e+00, - Si= 7.652e-05, - pH= 2.556228) - - -## setup boundary conditions for transport - we have already read the -## GRID with the following code: -## grid <- Rmufits::ReadGrid(paste0(demodir,"/d2ascii.run.GRID.SUM")) -## cbound <- which(grid$cell$ACTNUM == 2) -## dput(cbound) -cbound <- c(1L, 50L, 100L, 150L, 200L, 250L, 300L, 350L, 400L, 450L, 500L, - 550L, 600L, 650L, 700L, 750L, 800L, 850L, 900L, 950L, 1000L, - 1050L, 1100L, 1150L, 1200L, 1250L, 1300L, 1350L, 1400L, 1450L, - 1500L, 1550L, 1600L, 1650L, 1700L, 1750L, 1800L, 1850L, 1900L, - 1950L, 2000L, 2050L, 2100L, 2150L, 2200L, 2250L, 2300L, 2350L, - 2400L, 2450L, 2451L, 2452L, 2453L, 2454L, 2455L, 2456L, 2457L, - 2458L, 2459L, 2460L, 2461L, 2462L, 2463L, 2464L, 2465L, 2466L, - 2467L, 2468L, 2469L, 2470L, 2471L, 2472L, 2473L, 2474L, 2475L, - 2476L, 2477L, 2478L, 2479L, 2480L, 2481L, 2482L, 2483L, 2484L, - 2485L, 2486L, 2487L, 2488L, 2489L, 2490L, 2491L, 2492L, 2493L, - 2494L, 2495L, 2496L, 2497L, 2498L, 2499L, 2500L) - -boundary_matrix <- matrix(rep(ipr[1:10], length(cbound)), byrow=TRUE, nrow=length(cbound)) -colnames(boundary_matrix) <- names(ipr[1:10]) -boundary_matrix[1, ] <- vecinj - -boundary_matrix <- cbind(cbound,boundary_matrix) - -setup <- list(n = 2500, - bound = boundary_matrix, - base = base, - first = selout, - initsim = initstate, - Cf = 1, - prop = prop, - immobile = seq(11,15), - kin = seq(11,15), - phase = "FLUX1", - density = "DEN1", - reduce = FALSE, - snapshots = demodir, ## directory where we will read MUFITS SUM files - gridfile = paste0(demodir,"/d2ascii.run.GRID.SUM") - ) diff --git a/data/SimCompKtz.R b/data/SimCompKtz.R deleted file mode 100644 index 335d71b5e..000000000 --- a/data/SimCompKtz.R +++ /dev/null @@ -1,131 +0,0 @@ -db <- RPhreeFile("mdl_quint_kin.dat", is.db=TRUE) -phreeqc::phrLoadDatabaseString(db) - -## only the directory -demodir <- "./snaps/" - -base <- c("SOLUTION 1", - "units mol/kgw", - "pH 6.77", - "temp 35", - "-water 1", - "Al 8.06386e-09", - "C 0.0006108294", - "Ca 0.09709463", - "Cl 4.340042", - "Fe 1.234357e-05", - "K 0.01117434", - "Mg 0.0406959", - "Na 4.189209", - "Si 0.0001935754", - "INCREMENTAL_REACTIONS true", - "KINETICS 1 ", - "-steps 86400", - "-bad_step_max 10000", - "-cvode true", - "Albite", - "-m 8.432165", ## 1540.0", - "-parms 01.54 100", - "Calcite", - "-m 0.0", - "-parms 10 100", - "Chlorite", - "-m 1.106585", ## 202.100", - "-parms 64.84 100", - "Illite", - "-m 0.9549153", ## 174.400", - "-parms 43.38 100", - "Kaolinite", - "-m 0.0", - "-parms 29.17 100", - "END") - -selout <- c("KNOBS", - "-convergence_tolerance 1E-6", - "SELECTED_OUTPUT", - "-reset false", - "USER_PUNCH", - "-head Al C Ca Cl Fe K Mg Na Si pH Albite Calcite Chlorite Illite Kaolinite", ## pe - "10 PUNCH TOT(\"Al\"), TOT(\"C\"), TOT(\"Ca\"), TOT(\"Cl\"), TOT(\"Fe\"), TOT(\"K\"), TOT(\"Mg\"), TOT(\"Na\"), TOT(\"Si\"), -LA(\"H+\"), KIN(\"Albite\"), KIN(\"Calcite\"), KIN(\"Chlorite\"), KIN(\"Illite\"), KIN(\"Kaolinite\")" ) - -## Define initial conditions as equilibrium with primary minerals -ipr <- c(Al = 8.689e-10, - C = 0.0006108, - Ca = 0.09709, - Cl = 4.34, - Fe = 1.802e-06, - K = 0.01131, - Mg = 0.04074, - Na = 4.189, - Si = 7.653e-05, - pH = 6.889, - Albite = 5.0, - Calcite = 0.0, - Chlorite = 10.0, - Illite = 2.0, - Kaolinite = 0.0 - ) - -initstate <- matrix(rep(ipr, 648420), byrow=TRUE, ncol=length(ipr)) -colnames(initstate) <- names(ipr) - -vecinj <- c(Al= 8.694e-10, - C = 8.182e-01, - Ca= 9.710e-02, - Cl= 4.340e+00, - Fe= 1.778e-06, - K = 1.131e-02, - Mg= 4.074e-02, - Na= 4.189e+00, - Si= 7.652e-05, - pH= 2.556228) - - - - -prop <- c("Al", "C","Ca","Cl","Fe", "K", "Mg","Na", "Si", "pH", ## "pe", - "Albite", "Calcite", "Chlorite", "Illite", "Kaolinite") - -bound_elm <- c(1L, 2L, 3L, 4L, 5L, 6L, 7L, 8L, 9L, 10L, 11L, 12L, 13L, 14L, - 15L, 16L, 17L, 18L, 19L, 20L, 21L, 22L, 23L, 24L, 25L, 26L, 27L, - 28L, 29L, 30L, 31L, 32L, 33L, 34L, 35L, 36L, 37L, 38L, 39L, 40L, - 41L, 42L, 43L, 44L, 45L, 46L, 47L, 48L, 49L, 50L, 51L, 52L, 53L, - 54L, 55L, 56L, 57L, 58L, 59L, 60L, 61L, 62L, 63L, 64L, 65L, 66L, - 67L, 68L, 69L, 70L, 71L, 72L, 73L, 74L, 75L, 76L, 77L, 78L, 79L, - 80L, 81L, 82L, 83L, 84L, 85L, 86L, 87L, 88L, 89L, 90L, 91L, 92L, - 93L, 94L, 95L, 96L, 97L, 98L, 99L, 100L, 101L, 102L, 103L, 104L, - 105L, 106L, 107L, 108L, 214L, 215L) - -inj_elm <- c(7426L, 18233L, 29040L, 39847L, - 50654L, 61461L, 72268L, 83075L, 93882L, 104689L, 115496L, 126303L, - 137110L, 147917L, 158724L, 169531L, 180338L, 191145L, 201952L, - 212759L, 223566L, 234373L, 245180L, 255987L, 266794L, 277601L, - 288408L, 299215L, 310022L, 320829L, 331636L, 342443L, 353250L, - 364057L, 374864L, 385671L, 396478L, 407285L, 418092L, 428899L, - 439706L, 450513L, 461320L, 472127L, 482934L, 493741L, 504548L, - 515355L) - -cbound <- inj_elm - -boundinit <- matrix(rep(vecinj, length(cbound)), ncol=length(vecinj), byrow=TRUE) -myboundmat <- cbind(cbound,boundinit) - -## distinguish between injection and real boundaries -colnames(myboundmat) <- c("cbound", names(vecinj)) - -setup <- list(n=648420, - base=base, - bound=myboundmat, - first=selout, - initsim=initstate, - Cf=1, - prop=prop, - immobile=seq(11,15), - kin= seq(11,15), - phase="FLUX1", - density="DENS", - reduce=TRUE, - snapshots="snaps/AllSnaps_cmp_v3.rds", - gridfile ="snaps/GridKtz_cmp_v3.rds") - - diff --git a/data/SimDol2D.R b/data/SimDol2D.R deleted file mode 100644 index 84eb3ac91..000000000 --- a/data/SimDol2D.R +++ /dev/null @@ -1,120 +0,0 @@ -## chemical database -db <- RPhreeFile(system.file("extdata", "phreeqc_kin.dat", - package="RedModRphree"), is.db=TRUE) - -phreeqc::phrLoadDatabaseString(db) - -## only the directory -demodir <- system.file("extdata", "demo_rtwithmufits", package="Rmufits") - -prop <- c("C","Ca","Cl","Mg","pH","pe","O2g", "Calcite","Dolomite") - -signif_vector <- c(7,7,7,7,7,7,7,5,5) -prop_type <- c("act","act","act","act","logact","logact","ignore","act","act") - - -base <- c("SOLUTION 1", - "units mol/kgw", - "temp 25.0", - "water 1", - "pH 9.91 charge", - "pe 4.0", - "C 1.2279E-04", - "Ca 1.2279E-04", - "Mg 0.001", - "Cl 0.002", - "PURE 1", - "O2g -0.1675 10", - "KINETICS 1", - "-steps 100", - "-step_divide 100", - "-bad_step_max 2000", - "Calcite", "-m 0.000207", - "-parms 0.0032", - "Dolomite", - "-m 0.0", - "-parms 0.00032", - "END") - -selout <- c("SELECTED_OUTPUT", "-high_precision true", "-reset false", - "-time", "-soln", "-temperature true", "-water true", - "-pH", "-pe", "-totals C Ca Cl Mg", - "-kinetic_reactants Calcite Dolomite", "-equilibrium O2g") - -initsim <- c("SELECTED_OUTPUT", "-high_precision true", - "-reset false", - "USER_PUNCH", - "-head C Ca Cl Mg pH pe O2g Calcite Dolomite", - "10 PUNCH TOT(\"C\"), TOT(\"Ca\"), TOT(\"Cl\"), TOT(\"Mg\"), -LA(\"H+\"), -LA(\"e-\"), EQUI(\"O2g\"), EQUI(\"Calcite\"), EQUI(\"Dolomite\")", - "SOLUTION 1", - "units mol/kgw", - "temp 25.0", "water 1", - "pH 9.91 charge", - "pe 4.0", - "C 1.2279E-04", - "Ca 1.2279E-04", - "Cl 1E-12", - "Mg 1E-12", - "PURE 1", - "O2g -0.6788 10.0", - "Calcite 0.0 2.07E-3", - "Dolomite 0.0 0.0", - "END") - -vecinj <- c("C"= 0, - "Ca" = 0, - "Cl" = 0.002, - "Mg" = 0.001, - "pe" = 4, - "pH" = 7) - -init <- c("C(4)"= 1.2279E-4, - "Ca" =1.2279E-4, - "Cl" =0, - "Mg" =0, - "pe" =4, - "pH" =7, - "Calcite"= 2.07e-4, - "Dolomite"= 0) - - -## setup boundary conditions for transport - we have already read the -## GRID with the following code: -## grid <- Rmufits::ReadGrid(paste0(demodir,"/d2ascii.run.GRID.SUM")) -## cbound <- which(grid$cell$ACTNUM == 2) -## dput(cbound) -cbound <- c(1L, 50L, 100L, 150L, 200L, 250L, 300L, 350L, 400L, 450L, 500L, - 550L, 600L, 650L, 700L, 750L, 800L, 850L, 900L, 950L, 1000L, - 1050L, 1100L, 1150L, 1200L, 1250L, 1300L, 1350L, 1400L, 1450L, - 1500L, 1550L, 1600L, 1650L, 1700L, 1750L, 1800L, 1850L, 1900L, - 1950L, 2000L, 2050L, 2100L, 2150L, 2200L, 2250L, 2300L, 2350L, - 2400L, 2450L, 2451L, 2452L, 2453L, 2454L, 2455L, 2456L, 2457L, - 2458L, 2459L, 2460L, 2461L, 2462L, 2463L, 2464L, 2465L, 2466L, - 2467L, 2468L, 2469L, 2470L, 2471L, 2472L, 2473L, 2474L, 2475L, - 2476L, 2477L, 2478L, 2479L, 2480L, 2481L, 2482L, 2483L, 2484L, - 2485L, 2486L, 2487L, 2488L, 2489L, 2490L, 2491L, 2492L, 2493L, - 2494L, 2495L, 2496L, 2497L, 2498L, 2499L, 2500L) - -boundinit <- matrix(rep(init[-c(7,8)], length(cbound)), byrow=TRUE, nrow=length(cbound)) -myboundmat <- cbind(cbound,boundinit) -myboundmat[cbound==1, c(2:7)] <- vecinj -colnames(myboundmat) <- c("cbound", names(vecinj)) - -# TODO: dt and iterations - -setup <- list(n=2500, - bound=myboundmat, - base=base, - first=selout, - initsim=initsim, - Cf=1, - prop=prop, - immobile=c(7,8,9), - kin= c(8,9), - ann=list(O2g=-0.1675), - phase="FLUX1", - density="DEN1", - reduce=FALSE, - snapshots=demodir, ## directory where we will read MUFITS SUM files - gridfile=paste0(demodir,"/d2ascii.run.GRID.SUM") - ) diff --git a/data/SimDolKtz.R b/data/SimDolKtz.R deleted file mode 100644 index f52b65df2..000000000 --- a/data/SimDolKtz.R +++ /dev/null @@ -1,130 +0,0 @@ -# library(RedModRphree) -# library(Rmufits) -# library(RcppVTK) - -db <- RPhreeFile(system.file("extdata", "phreeqc_kin.dat", - package="RedModRphree"), is.db=TRUE) - -phreeqc::phrLoadDatabaseString(db) - -prop <- c("C","Ca","Cl","Mg","pH","pe","O2g", "Calcite","Dolomite") -signif_vector <- c(7,7,7,7,7,7,7,5,5) -prop_type <- c("act","act","act","act","logact","logact","ignore","act","act") - - -base <- c("SOLUTION 1", - "units mol/kgw", - "temp 25.0", - "water 1", - "pH 9.91 charge", - "pe 4.0", - "C 1.2279E-04", - "Ca 1.2279E-04", - "Mg 0.001", - "Cl 0.002", - "PURE 1", - "O2g -0.1675 10", - "KINETICS 1", - "-steps 100", - "-step_divide 100", - "-bad_step_max 2000", - "Calcite", "-m 0.000207", - "-parms 0.0032", - "Dolomite", - "-m 0.0", - "-parms 0.00032", - "END") - -selout <- c("SELECTED_OUTPUT", - "-high_precision true", - "-reset false", - "-time", - "-soln", - "-temperature true", - "-water true", - "-pH", - "-pe", - "-totals C Ca Cl Mg", - "-kinetic_reactants Calcite Dolomite", - "-equilibrium O2g") - -initsim <- c("SELECTED_OUTPUT", - "-high_precision true", - "-reset false", - "USER_PUNCH", - "-head C Ca Cl Mg pH pe O2g Calcite Dolomite", - "10 PUNCH TOT(\"C\"), TOT(\"Ca\"), TOT(\"Cl\"), TOT(\"Mg\"), -LA(\"H+\"), -LA(\"e-\"), EQUI(\"O2g\"), EQUI(\"Calcite\"), EQUI(\"Dolomite\")", - "SOLUTION 1", - "units mol/kgw", - "temp 25.0", "water 1", - "pH 9.91 charge", - "pe 4.0", - "C 1.2279E-04", - "Ca 1.2279E-04", - "Cl 1E-12", - "Mg 1E-12", - "PURE 1", - "O2g -0.6788 10.0", - "Calcite 0.0 2.07E-3", - "Dolomite 0.0 0.0", - "END") - -vecinj <- c("C"= 0, - "Ca" = 0, - "Cl" = 0.002, - "Mg" = 0.001, - "pe" = 4, - "pH" = 7) - -init <- c("C(4)"= 1.2279E-4, - "Ca" =1.2279E-4, - "Cl" =0, - "Mg" =0, - "pe" =4, - "pH" =7, - "Calcite"= 2.07e-4, - "Dolomite"= 0) - -bound_elm <- c(1L, 2L, 3L, 4L, 5L, 6L, 7L, 8L, 9L, 10L, 11L, 12L, 13L, 14L, - 15L, 16L, 17L, 18L, 19L, 20L, 21L, 22L, 23L, 24L, 25L, 26L, 27L, - 28L, 29L, 30L, 31L, 32L, 33L, 34L, 35L, 36L, 37L, 38L, 39L, 40L, - 41L, 42L, 43L, 44L, 45L, 46L, 47L, 48L, 49L, 50L, 51L, 52L, 53L, - 54L, 55L, 56L, 57L, 58L, 59L, 60L, 61L, 62L, 63L, 64L, 65L, 66L, - 67L, 68L, 69L, 70L, 71L, 72L, 73L, 74L, 75L, 76L, 77L, 78L, 79L, - 80L, 81L, 82L, 83L, 84L, 85L, 86L, 87L, 88L, 89L, 90L, 91L, 92L, - 93L, 94L, 95L, 96L, 97L, 98L, 99L, 100L, 101L, 102L, 103L, 104L, - 105L, 106L, 107L, 108L, 214L, 215L) - -inj_elm <- c(7426L, 18233L, 29040L, 39847L, - 50654L, 61461L, 72268L, 83075L, 93882L, 104689L, 115496L, 126303L, - 137110L, 147917L, 158724L, 169531L, 180338L, 191145L, 201952L, - 212759L, 223566L, 234373L, 245180L, 255987L, 266794L, 277601L, - 288408L, 299215L, 310022L, 320829L, 331636L, 342443L, 353250L, - 364057L, 374864L, 385671L, 396478L, 407285L, 418092L, 428899L, - 439706L, 450513L, 461320L, 472127L, 482934L, 493741L, 504548L, - 515355L) - -cbound <- inj_elm - -boundinit <- matrix(rep(vecinj, length(cbound)), ncol=length(vecinj), byrow=TRUE) -myboundmat <- cbind(cbound,boundinit) - -## distinguish between injection and real boundaries -colnames(myboundmat) <- c("cbound", names(vecinj)) - -setup <- list(n=648420, - bound=myboundmat, - base=base, - first=selout, - initsim=initsim, - Cf=1, - prop=prop, - immobile=c(7,8,9), - kin= c(8,9), - ann=list(O2g=-0.1675), - phase="FLUX1", - density="DENS", - reduce=FALSE, - snapshots="snaps/AllSnaps_cmp_v3.rds", - gridfile ="snaps/GridKtz_cmp_v3.rds" - ) diff --git a/data/mdl_quint_kin.dat b/data/mdl_quint_kin.dat deleted file mode 100644 index f4835bcdf..000000000 --- a/data/mdl_quint_kin.dat +++ /dev/null @@ -1,2625 +0,0 @@ -SOLUTION_MASTER_SPECIES -O H2O 0.0 15.9994 15.9994 -Al Al+3 0.0 26.9815 26.9815 -Ba Ba+2 0.0 137.327 137.327 -Br Br- 0.0 79.904 79.904 -C HCO3- 0.0 12.011 12.011 -Ca Ca+2 0.0 40.078 40.078 -Cl Cl- 0.0 35.4527 35.4527 -Cr Cr+3 0.0 51.9961 51.9961 -Cs Cs+ 0.0 132.905 132.905 -F F- 0.0 18.9984 18.9984 -Fe Fe+2 0.0 55.847 55.847 -H H+ 0.0 1.00794 1.00794 -I I- 0.0 126.904 126.904 -K K+ 0.0 39.0983 39.0983 -Li Li+ 0.0 6.941 6.941 -Mg Mg+2 0.0 24.305 24.305 -Mn Mn+2 0.0 54.938 54.938 -Mo MoO4-2 0.0 95.94 95.94 -N NO3- 0.0 14.0067 14.0067 -Na Na+ 0.0 22.9898 22.9898 -P HPO4-2 0.0 30.9738 30.9738 -S SO4-2 0.0 32.066 32.066 -Si SiO2 0.0 28.0855 28.0855 -Sr Sr+2 0.0 87.62 87.62 -B B(OH)3 0.0 10.811 10.811 -Co Co+2 0.0 58.9332 58.9332 -Cu Cu+2 0.0 63.546 63.546 -Ni Ni+2 0.0 58.6934 58.6934 -Zn Zn+2 0.0 65.39 65.39 -E e- 0.0 0 0 -O(-2) H2O 0.0 0.0 -H(1) H+ -1.0 0.0 -O(0) O2 0.0 O -H(0) H2 0.0 H -SOLUTION_SPECIES -H2O = H2O - log_k 0.0 -Al+3 = Al+3 - log_k 0.0 -Ba+2 = Ba+2 - log_k 0.0 -Br- = Br- - log_k 0.0 -HCO3- = HCO3- - log_k 0.0 -Ca+2 = Ca+2 - log_k 0.0 -Cl- = Cl- - log_k 0.0 -Cr+3 = Cr+3 - log_k 0.0 -Cs+ = Cs+ - log_k 0.0 -F- = F- - log_k 0.0 -Fe+2 = Fe+2 - log_k 0.0 -H+ = H+ - log_k 0.0 -I- = I- - log_k 0.0 -K+ = K+ - log_k 0.0 -Li+ = Li+ - log_k 0.0 -Mg+2 = Mg+2 - log_k 0.0 -Mn+2 = Mn+2 - log_k 0.0 -MoO4-2 = MoO4-2 - log_k 0.0 -NO3- = NO3- - log_k 0.0 -Na+ = Na+ - log_k 0.0 -HPO4-2 = HPO4-2 - log_k 0.0 -SO4-2 = SO4-2 - log_k 0.0 -SiO2 = SiO2 - log_k 0.0 -Sr+2 = Sr+2 - log_k 0.0 -B(OH)3 = B(OH)3 - log_k 0.0 -Co+2 = Co+2 - log_k 0.0 -Cu+2 = Cu+2 - log_k 0.0 -Ni+2 = Ni+2 - log_k 0.0 -Zn+2 = Zn+2 - log_k 0.0 -e- = e- - log_k 0.0 -Cl- + 4 H2O = ClO4- + 8 e- + 8 H+ - logk -187.717 - -analytical 98.3626 0.00897085 -57720 -38.4526 -901.663 -Cr+3 + 4 H2O = CrO4-- + 8 H+ + 3 e- - logk -74.218 - -analytical 35.5542 -0.0286437 -26783.2 -4.61493 -420.12 -Fe+2 = Fe+++ + e- - logk -13.011 - -analytical -43.28 -0.0126166 -463.442 14.3792 -7.61902 -2 e- + 2 H+ = H2 - logk -3.1047 - -analytical -44.4193 0.0008034 332.449 16.1517 5.85343 -HPO4-2 + 2 e- + 2 H+ = HPO3-- + H2O - logk -7.0529 - -analytical -44.9263 -0.000730404 -1740.87 17.7552 -26.6891 -9 H+ + SO4-2 + 8 e- = HS- + 4 H2O - logk 33.6909 - -analytical -20.9734 0.0282619 8351.27 7.37542 132.989 -Mn+2 = Mn+++ + e- - logk -25.5088 - -analytical -30.985 -0.0118433 -3758.26 8.73221 -59.0759 -Mn+2 + 4 H2O = MnO4-- + 8 H+ + 4 e- - logk -118.345 - -analytical 5.68483 -0.0404547 -36066.9 3.62834 -565.402 -10 H+ + NO3- + 8 e- = NH4+ + 3 H2O - logk 119.149 - -analytical -27.4421 0.0202152 35667 8.46459 558.747 -NO3- + 2 e- + 2 H+ = NO2- + H2O - logk 27.7671 - -analytical -18.8877 -0.000839634 8453.33 7.49673 132.138 -SO4-2 + 2 e- + 2 H+ = SO3-- + H2O - logk -3.6224 - -analytical -27.6927 -0.00236598 -285.739 10.4006 -4.10093 -7 H+ + B(OH)3 + 8 e- = BH4- + 3 H2O - logk -65.0961 - -analytical -190.98 -0.0367462 -15374.9 76.1353 -240.047 -HPO4-2 = PO4-3 + H+ - logk -12.3218 - -analytical -59.3704 -0.0321228 -524.014 23.5855 -9.61634 -2 H2O = O2 + 4 e- + 4 H+ - logk -86.0039 - -analytical 1.05677 0.00424712 -25007.3 -1.79339 -390.168 -H2O = OH- + H+ - logk -13.9951 - -analytical -67.5047 -0.0306179 -1990.13 28.0036 -32.4111 -HCO3- = CO3-2 + H+ - logk -10.3288 - -analytical -69.9531 -0.0335248 -70.9884 28.2225 -2.60731 -Al+3 + 2 H2O = AlO2- + 4 H+ - logk -22.879 -Al+3 + H2O = AlOH+2 + H+ - logk -4.957 -Al+3 + H2O = AlO+ + 2 H+ - logk -10.594 -Al+3 + 2 H2O = HAlO2 + 3 H+ - logk -16.432 -Al+3 + F- = AlF+2 - logk 7 -Al+3 + 2 F- = AlF2+ - logk 12.6 -Al+3 + 3 F- = AlF3 - logk 16.7 -Al+3 + 4 F- = AlF4- - logk 19.4 -H2O + B(OH)3 = B(OH)4- + H+ - logk -9.239 -3 B(OH)3 = B3O3(OH)4- + 2 H2O + H+ - logk -7.6188 -4 B(OH)3 = B4O5(OH)4-2 + 3 H2O + 2 H+ - logk -16.2554 -Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+ - logk -7.5886 -Ca+2 + HCO3- = CaCO3 + H+ - logk -7.0017 - -analytical 236.013 0.0560188 -8711.9 -93.1438 -134.632 -Ca+2 + H2O = CaOH+ + H+ - logk -12.8333 - -analytical 57.5113 0.0114734 -5866.96 -21.8569 -91.3547 -Ca+2 + SO4-2 = CaSO4 - logk 1.6503 - -analytical 559.886 0.138712 -17440.1 -218.656 -279.955 -Ca+2 + Cl- = CaCl+ - logk -0.7659 - -analytical -12.4607 0.020884 1632.89 -0.00354466 26.5103 -Ca+2 + 2 Cl- = CaCl2 - logk -16.4677 - -analytical 42.4008 -0.0281976 -15074.2 0.040552 -244.698 -H+ + HCO3- = CO2 + H2O - logk 6.3447 - -analytical -10.5326 0.0217452 2521.59 0.791018 40.7333 -2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O - logk 14.7024 - -analytical 153.121 0.0684345 -1593.19 -62.0073 -21.8141 -Cl- + Fe+2 = FeCl+ - logk -0.1605 - -analytical 81.4828 0.0375106 -1449.35 -35.5403 -21.0568 -Fe+2 + HCO3- = FeHCO3+ - logk 1.47 -Fe+2 + HCO3- = FeCO3 + H+ - logk -4.8788 -Fe+2 + 2 CO3-2 = Fe(CO3)2-2 - logk 7.16 -Fe+2 + H2O = FeOH+ + H+ - logk -9.51 -Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ - logk -20.61 -Fe+3 + H2O = FeOH+2 + H+ - logk -2.1 -Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - logk -6.3 -Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - logk -14.3 -Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - logk -22.3 -Fe+3 + SO4-2 = FeSO4+ - logk 4.27 -Fe+3 + 2 SO4-2 = Fe(SO4)2- - logk 6.11 -Cl- + Fe+3 = FeCl+2 - logk 1.28 -2 Cl- + Fe+3 = FeCl2+ - logk 1.16 -F- + Fe+2 = FeF+ - logk 1.4272 - -analytical 93.8061 0.0389135 -1761.64 -39.6238 -25.8207 -F- + Fe+3 = FeF+2 - logk 6.03 -Fe+3 + 2 F- = FeF2+ - logk 10.66 -H+ + SO4-2 = HSO4- - logk 1.9791 - -analytical 49.615 0.0303676 -1155.72 -21.3332 -16.3809 -H2O + SiO2 = HSiO3- + H+ - logk -9.8419 - -analytical -105.911 -0.0389391 639.77 42.6507 9.89524 -H+ + HPO4-2 = H2PO4- - logk 7.2054 - -analytical 82.1441 0.0340763 -1042.97 -32.9686 -14.8494 -HPO4-2 + 2 H+ = H3PO4 - logk 9.3751 - -analytical 183.79 0.0673192 -3778.88 -73.4595 -56.2133 -HCO3- + Mg+2 = MgCO3 + H+ - logk -7.3499 - -analytical 240.251 0.0562181 -8602.15 -95.1687 -132.792 -HCO3- + Mg+2 = MgHCO3+ - logk 1.0357 - -analytical 42.6713 0.0302909 -76.1074 -20.3612 0.594294 -H2O + Mg+2 = MgOH+ + H+ - logk -11.6825 - -analytical -1.23462 0.00322632 -3070.18 -0.445617 -47.4202 -NH4+ = NH3 + H+ - logk -9.241 - -analytical 14.5234 0.00505255 -3044.62 -6.08535 -47.4222 -Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+ - logk -7.8397 -CrO4-2 + Ni+2 = NiCrO4 - logk 2.4 -CrO4-2 + 2 H+ = H2CrO4 - logk 6.31 -CrO4-2 + H+ = HCrO4- - logk 6.5238 - -analytical 74.9937 0.0356022 -1012.39 -30.5783 -14.1396 -Br- + Cr+3 = CrBr+2 - logk -4.7427 - -analytical 76.6031 0.0381767 -3303 -32.9854 -49.7402 -Cr+3 + H2O = CrOH+2 + H+ - logk -3.57 -Cr+3 + 2 H2O = Cr(OH)2+ + 2 H+ - logk -9.84 -Cr+3 + 3 H2O = Cr(OH)3 + 3 H+ - logk -16.19 -Cr+3 + 4 H2O = Cr(OH)4- + 4 H+ - logk -27.65 -2 Cr+3 + 6 H2O = Cr2O2(OH)4-2 + 8 H+ - logk -51.9302 -H2O + Ni+2 = NiOH+ + H+ - logk -9.5 -Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ - logk -18 -Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ - logk -29.7 -Ni+2 + 4 H2O = Ni(OH)4-2 + 4 H+ - logk -44.96 -Br- + Ni+2 = NiBr+ - logk -0.37 -Ni+2 + HCO3- = NiCO3 + H+ - logk -6.3288 -F- + Ni+2 = NiF+ - logk 1.12 - -analytical 102.353 0.0397234 -2187.25 -42.7229 -32.4787 -HCO3- + Ni+2 = NiHCO3+ - logk 1 -Ni+2 + HPO4-2 = NiHPO4 - logk 2.934 -Ni+2 + HPO4-2 + H+ = NiH2PO4+ - logk 8.7494 -Ni+2 + PO4-3 = NiPO4- - logk 8.374 -H+ + Ni+2 + 2 HPO4-2 = NiHP2O7- + H2O - logk 9.268 -2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O - logk 3.088 -NO3- + Ni+2 = NiNO3+ - logk 0.1463 - -analytical 149.894 0.0452863 -4225.55 -60.2379 -64.462 -PITZER --ALPHAS -Ca+2 Br- 2 12 -Ca+2 Cl- 2 12 -CaCl+ Cl- 2 12 -Ca+2 NO3- 0.87 12 -Ca+2 HSO4- 2 12 -Ca+2 I- 2 12 -Ca+2 SO4-2 1.4 12 -Cs+ Br- 2 12 -Cs+ Cl- 2 12 -Cs+ F- 2 12 -Cs+ I- 2 12 -Cs+ NO3- 2 12 -Cs+ OH- 2 12 -Cs+ SO4-2 2 12 -H+ Br- 2 12 -H+ Cl- 2 12 -H+ HSO4- 2 12 -H+ I- 2 12 -H+ NO3- 2 12 -H+ SO4-2 2 12 -K+ Br- 2 12 -K+ Cl- 2 12 -K+ CO3-2 2 12 -K+ F- 2 12 -K+ HCO3- 2 12 -K+ HPO4-2 2 12 -K+ HSO4- 2 12 -K+ I- 2 12 -K+ NO3- 2 12 -K+ OH- 2 12 -K+ SO4-2 2 12 -Li+ Br- 2 12 -Li+ Cl- 2 12 -Li+ I- 2 12 -Li+ NO3- 2 12 -Li+ OH- 2 12 -Li+ SO4-2 2 12 -Mg+2 Br- 2 12 -Mg+2 Cl- 2 12 -Mg+2 HCO3- 2 12 -Mg+2 HSO4- 2 12 -Mg+2 I- 2 12 -Mg+2 NO3- 1.55 12 -Mg+2 SO4-2 1.4 12 -Mn+2 Br- 2 12 -Mn+2 ClO4- 2 12 -MgOH+ Cl- 2 12 -Na+ AlO2- 2 12 -Na+ Br- 2 12 -Na+ Cl- 2 12 -Na+ CO3-2 2 12 -Na+ F- 2 12 -Na+ HCO3- 2 12 -Na+ HPO4-2 2 12 -Na+ H2PO4- 2 12 -Na+ HSO4- 2 12 -Na+ I- 2 12 -Na+ NO3- 1.43 12 -Na+ OH- 2 12 -Na+ SO4-2 2 12 -NH4+ Br- 2 12 -NH4+ Cl- 2 12 -NH4+ HCO3- 2 12 -NH4+ I- 2 12 -NH4+ NO3- 2 12 -NH4+ SO4-2 2 12 -Sr+2 Br- 2 12 -Sr+2 Cl- 2 12 -Sr+2 I- 2 12 -Sr+2 NO3- 2 12 -Al+3 Cl- 2 12 -Ba+2 Cl- 2 12 -Ba+2 Br- 2 12 -Ba+2 I- 2 12 -Ba+2 OH- 2 12 -Ba+2 ClO4- 2 12 -Ba+2 NO3- 2 12 -CaB(OH)4+ Cl- 2 12 -Ca+2 ClO4- 2 12 -Ca+2 MoO4-2 2 12 -Co+2 Cl- 2 12 -Co+2 ClO4- 2 12 -Co+2 Br- 2 12 -Co+2 I- 2 12 -Co+2 NO3- 2 12 -Co+2 SO4-2 1.4 12 -Cr+3 Cl- 2 12 -Cr+3 NO3- 2 12 -Na+ Cr(OH)4- 2 12 -Na+ Cr2O2(OH)4-2 2 12 -K+ Cr2O7-2 1.4 12 -Cu+2 Cl- 2 12 -Cu+2 NO3- 2 12 -Cu+2 SO4-2 1.4 12 -Cu+2 HSO4- 2 12 -Cu+2 Br- 2 12 -Cu+2 ClO4- 2 12 -Fe+2 Cl- 2 12 -H+ ClO4- 2 12 -K+ CrO4-2 2 12 -K+ PO4-3 2 12 -K+ B(OH)4- 2 12 -K+ B3O3(OH)4- 2 12 -K+ B4O5(OH)4-2 2 12 -Mn+2 Cl- 2 12 -Mn+2 SO4-2 1.4 12 -MgB(OH)4+ Cl- 2 12 -Na+ ClO4- 2 12 -Na+ B(OH)4- 2 12 -Na+ B3O3(OH)4- 2 12 -Na+ B4O5(OH)4-2 2 12 -Na+ PO4-3 2 12 -Na+ MoO4-2 2 12 -Na+ CrO4-2 2 12 -Ni+2 ClO4- 2 12 -Ni+2 Cl- 2 12 -Ni+2 Br- 2 12 -Ni+2 NO3- 2 12 -Ni+2 SO4-2 1.4 12 -Fe+2 SO4-2 1.4 12 -Fe+3 ClO4- 2 12 -Zn+2 Cl- 2 12 -Zn+2 Br- 2 12 -Zn+2 I- 2 12 -Zn+2 NO3- 2 12 -Zn+2 ClO4- 2 12 -Zn+2 SO4-2 1.4 12 --B0 -Ca+2 Br- 0.3816 0 0 0 0 -Ca+2 Cl- 0.303822 78.1786 1.45519e-011 0.000357022 0 -CaCl+ Cl- 0.356841 22.3581 1.45519e-011 -0.000839061 0 -Ca+2 NO3- 0.125912 144.214 0.520996 -0.000477655 0 -Ca+2 HSO4- 0.2145 0 0 0 0 -Ca+2 I- 0.4379 0 0 0 0 -Ca+2 SO4-2 0.15 0 0 0 0 -Cs+ Br- 0.0255603 -34.4283 -3.63798e-012 1.06581e-014 0 -Cs+ Cl- 0.0329801 -539.761 -2.42136 0.00272852 0 -Cs+ F- 0.1306 0 0 0 0 -Cs+ I- 0.0244 0 0 0 0 -Cs+ NO3- -0.0758 0 0 0 0 -Cs+ OH- 0.15 0 0 0 0 -Cs+ SO4-2 0.0714 0 0 0 0 -H+ Br- 0.2085 0 0 0 0 -H+ Cl- 0.177001 -33.4777 -0.262215 0.000125778 0 -H+ HSO4- 0.209089 1054.54 5.95728 -0.00877592 0 -H+ I- 0.2211 0 0 0 0 -H+ NO3- 0.125585 560.12 4.91603 -0.0099509 0 -H+ SO4-2 0.0986192 -6703.44 -41.6862 0.0636777 0 -K+ Br- 0.0526049 -938.817 -4.4303 0.00524879 0 -K+ Cl- 0.0477812 -343.299 -1.38219 0.00134298 0 -K+ CO3-2 0.1288 0 0 0 0 -K+ F- 0.08089 0 0 0 0 -K+ HCO3- -0.0107 0 0 0 0 -K+ HPO4-2 0.0248 0 0 0 0 -K+ HSO4- -0.0003 0 0 0 0 -K+ I- 0.0746 0 0 0 0 -K+ NO3- -0.0816 0 0 0 0 -K+ OH- 0.1298 0 0 0 0 -K+ SO4-2 0.0555358 -1418.43 -6.74729 0.00826907 0 -Li+ Br- 0.172803 3.72529e-009 1.45519e-011 -0.000106042 0 -Li+ Cl- 0.14847 1.86265e-009 0 -0.0001546 0 -Li+ I- 0.2104 0 0 0 0 -Li+ NO3- 0.142 0 0 0 0 -Li+ OH- 0.015 0 0 0 0 -Li+ SO4-2 0.1363 0 0 0 0 -Mg+2 Br- 0.4327 0 0 0 0 -Mg+2 Cl- 0.351136 -65.5822 -0.525061 0.000447185 0 -Mg+2 HCO3- 0.033 0 0 0 0 -Mg+2 HSO4- 0.4746 0 0 0 0 -Mg+2 I- 0.4902 0 0 0 0 -Mg+2 NO3- 0.306728 0 0 0 0 -Mg+2 SO4-2 0.222818 -5688.19 -32.8401 0.0473379 0 -Mn+2 Br- 0.44655 0 0 0 0 -Mn+2 ClO4- 0.50957 0 0 0 0 -MgOH+ Cl- -0.1 0 0 0 0 -Na+ AlO2- 0.0452319 -1545.73 -8.3136 0.0110572 0 -Na+ Br- 0.0973867 -210.646 -0.395939 -0.000283574 0 -Na+ Cl- 0.0745618 -470.789 -1.85114 0.00165565 0 -Na+ CO3-2 0.0362048 1108.38 11.1986 -0.0233017 0 -Na+ F- 0.0215 0 0 0 0 -Na+ HCO3- 0.0280021 682.886 6.89959 -0.0144593 0 -Na+ HPO4-2 -0.0583 0 0 0 0 -Na+ H2PO4- -0.0533 0 0 0 0 -Na+ HSO4- 0.0734349 52.5606 0.420809 -0.000821232 0 -Na+ I- 0.1195 0 0 0 0 -Na+ NO3- -0.00129331 -482.73 -2.21016 0.00254084 0 -Na+ OH- 0.0883444 -1197.85 -6.10983 0.00743325 0 -Na+ SO4-2 0.0120596 -2189.43 -10.1448 0.0119724 0 -NH4+ Br- 0.0624 0 0 0 0 -NH4+ Cl- 0.0524921 -216.413 -0.973041 0.00106115 0 -NH4+ HCO3- -0.038 0 0 0 0 -NH4+ I- 0.057 0 0 0 0 -NH4+ NO3- -0.0154 0 0 0 0 -NH4+ SO4-2 0.0391673 313.414 2.51504 -0.0044742 0 -Sr+2 Br- 0.3311 0 0 0 0 -Sr+2 Cl- 0.2834 0 0 0 0 -Sr+2 I- 0.4013 0 0 0 0 -Sr+2 NO3- 0.1346 0 0 0 0 -Al+3 Cl- 0.6993 0 0 0 0 -Ba+2 Cl- 0.2628 0 0 0 0 -Ba+2 Br- 0.3146 0 0 0 0 -Ba+2 I- 0.4219 0 0 0 0 -Ba+2 OH- 0.1718 0 0 0 0 -Ba+2 ClO4- 0.3614 0 0 0 0 -Ba+2 NO3- -0.0323 0 0 0 0 -CaB(OH)4+ Cl- 0.12 0 0 0 0 -Ca+2 ClO4- 0.4511 0 0 0 0 -Ca+2 MoO4-2 0.2 0 0 0 0 -Co+2 Cl- 0.37351 0 0 0 0 -Co+2 ClO4- 0.50409 0 0 0 0 -Co+2 Br- 0.427 0 0 0 0 -Co+2 I- 0.5213 0 0 0 0 -Co+2 NO3- 0.3119 0 0 0 0 -Co+2 SO4-2 0.2 0 0 0 0 -Cr+3 Cl- 0.72234 0 0 0 0 -Cr+3 NO3- 0.704 0 0 0 0 -Na+ Cr(OH)4- 0.045 0 0 0 0 -Na+ Cr2O2(OH)4-2 0.41 0 0 0 0 -K+ Cr2O7-2 -2.1239 0 0 0 0 -Cu+2 Cl- 0.23052 0 0 0 0 -Cu+2 NO3- 0.28124 0 0 0 0 -Cu+2 SO4-2 0.2358 0 0 0 0 -Cu+2 HSO4- 0.4755 0 0 0 0 -Cu+2 Br- 0.41247 0 0 0 0 -Cu+2 ClO4- 0.48984 0 0 0 0 -Fe+2 Cl- 0.3359 0 0 0 0 -H+ ClO4- 0.1747 0 0 0 0 -K+ CrO4-2 0.0791 0 0 0 0 -K+ PO4-3 0.3729 0 0 0 0 -K+ B(OH)4- 0.035 0 0 0 0 -K+ B3O3(OH)4- -0.13 0 0 0 0 -K+ B4O5(OH)4-2 -0.022 0 0 0 0 -Mn+2 Cl- 0.29486 0 0 0 0 -Mn+2 SO4-2 0.201 0 0 0 0 -MgB(OH)4+ Cl- 0.16 0 0 0 0 -Na+ ClO4- 0.0554 0 0 0 0 -Na+ B(OH)4- -0.0427 0 0 0 0 -Na+ B3O3(OH)4- -0.056 0 0 0 0 -Na+ B4O5(OH)4-2 -0.11 0 0 0 0 -Na+ PO4-3 0.1781 0 0 0 0 -Na+ MoO4-2 0.116 0 0 0 0 -Na+ CrO4-2 0.0645 0 0 0 0 -Ni+2 ClO4- 0.49285 0 0 0 0 -Ni+2 Cl- 0.3499 0 0 0 0 -Ni+2 Br- 0.4451 0 0 0 0 -Ni+2 NO3- 0.30978 0 0 0 0 -Ni+2 SO4-2 0.1702 0 0 0 0 -Fe+2 SO4-2 0.2568 0 0 0 0 -Fe+3 ClO4- 1.412 0 0 0 0 -Zn+2 Cl- 0.2602 0 0 0 0 -Zn+2 Br- 0.466 0 0 0 0 -Zn+2 I- 0.4821 0 0 0 0 -Zn+2 NO3- 0.3481 0 0 0 0 -Zn+2 ClO4- 0.506 0 0 0 0 -Zn+2 SO4-2 0.1949 0 0 0 0 --B1 -Ca+2 Br- 1.6133 0 0 0 0 -Ca+2 Cl- 1.70143 -148.325 1.16415e-010 0.00505789 0 -CaCl+ Cl- 4.81235 3865.29 4.65661e-010 0.0112332 0 -Ca+2 NO3- 0.402371 -3219.15 -8.98838 0.00373059 0 -Ca+2 HSO4- 2.5275 0 0 0 0 -Ca+2 I- 1.8068 0 0 0 0 -Ca+2 SO4-2 3 0 0 0 0 -Cs+ Br- 0.0284193 -338.671 -1.45519e-011 5.68434e-014 0 -Cs+ Cl- 0.0429 -38 1.45519e-011 0.001306 0 -Cs+ F- 0.257 0 0 0 0 -Cs+ I- 0.0262 0 0 0 0 -Cs+ NO3- -0.0669 0 0 0 0 -Cs+ OH- 0.3 0 0 0 0 -Cs+ SO4-2 1.2008 0 0 0 0 -H+ Br- 0.3477 0 0 0 0 -H+ Cl- 0.292923 3402.47 19.7936 -0.0279388 0 -H+ HSO4- 0.440922 296.437 2.37333 -0.00463168 0 -H+ I- 0.4907 0 0 0 0 -H+ NO3- 0.287782 2.71242e-007 1.58606e-009 0.0013396 0 -H+ SO4-2 0 0 0 0 0 -K+ Br- 0.235353 2489.76 12.542 -0.013415 0 -K+ Cl- 0.215511 -576.388 -2.88017 0.00464483 0 -K+ CO3-2 1.4333 0 0 0 0 -K+ F- 0.2021 0 0 0 0 -K+ HCO3- 0.0478 0 0 0 0 -K+ HPO4-2 1.2743 0 0 0 0 -K+ HSO4- 0.1735 0 0 0 0 -K+ I- 0.2517 0 0 0 0 -K+ NO3- 0.0494 0 0 0 0 -K+ OH- 0.32 0 0 0 0 -K+ SO4-2 0.796385 2067.13 2.32831e-010 0.0235793 0 -Li+ Br- 0.297759 990.383 5.60773 -0.00697051 0 -Li+ Cl- 0.307 7.45058e-009 2.91038e-011 0.000636 0 -Li+ I- 0.373 0 0 0 0 -Li+ NO3- 0.278 0 0 0 0 -Li+ OH- 0.14 0 0 0 0 -Li+ SO4-2 1.2705 0 0 0 0 -Mg+2 Br- 1.7528 0 0 0 0 -Mg+2 Cl- 1.65325 -2872.88 -23.0007 0.0494573 0 -Mg+2 HCO3- 0.8498 0 0 0 0 -Mg+2 HSO4- 1.7288 0 0 0 0 -Mg+2 I- 1.8041 0 0 0 0 -Mg+2 NO3- 1.25745 0 0 0 0 -Mg+2 SO4-2 3.37713 -23184 -139.335 0.217921 0 -Mn+2 Br- 1.34477 0 0 0 0 -Mn+2 ClO4- 2.16209 0 0 0 0 -MgOH+ Cl- 1.658 0 0 0 0 -Na+ AlO2- 0.30666 -4913.33 -28.5581 0.0416055 0 -Na+ Br- 0.297015 -6335.18 -37.5077 0.0558804 0 -Na+ Cl- 0.275241 -521.118 -2.88036 0.00471463 0 -Na+ CO3-2 1.51207 4412.51 44.5821 -0.0998912 0 -Na+ F- 0.2107 0 0 0 0 -Na+ HCO3- 0.0440052 1129.39 11.4109 -0.0244673 0 -Na+ HPO4-2 1.4655 0 0 0 0 -Na+ H2PO4- 0.0396 0 0 0 0 -Na+ HSO4- 0.299943 4698.12 26.8475 -0.0373912 0 -Na+ I- 0.3439 0 0 0 0 -Na+ NO3- 0.141301 -2759.36 -13.3527 0.0180629 0 -Na+ OH- 0.244421 1627.03 9.4825 -0.0115789 0 -Na+ SO4-2 1.11538 -12744.2 -67.1934 0.0891223 0 -NH4+ Br- 0.1947 0 0 0 0 -NH4+ Cl- 0.187339 0 -0.142555 0.00109395 0 -NH4+ HCO3- 0.07 0 0 0 0 -NH4+ I- 0.3157 0 0 0 0 -NH4+ NO3- 0.112 0 0 0 0 -NH4+ SO4-2 0.662847 37708.8 255.814 -0.422218 0 -Sr+2 Br- 1.7115 0 0 0 0 -Sr+2 Cl- 1.6256 0 0 0 0 -Sr+2 I- 1.86 0 0 0 0 -Sr+2 NO3- 1.38 0 0 0 0 -Al+3 Cl- 5.8447 0 0 0 0 -Ba+2 Cl- 1.4963 0 0 0 0 -Ba+2 Br- 1.5698 0 0 0 0 -Ba+2 I- 1.6868 0 0 0 0 -Ba+2 OH- 1.2 0 0 0 0 -Ba+2 ClO4- 1.5758 0 0 0 0 -Ba+2 NO3- 0.8025 0 0 0 0 -CaB(OH)4+ Cl- 0 0 0 0 0 -Ca+2 ClO4- 1.757 0 0 0 0 -Ca+2 MoO4-2 3.1973 0 0 0 0 -Co+2 Cl- 1.25999 0 0 0 0 -Co+2 ClO4- 1.96664 0 0 0 0 -Co+2 Br- 1.6598 0 0 0 0 -Co+2 I- 1.6725 0 0 0 0 -Co+2 NO3- 1.6905 0 0 0 0 -Co+2 SO4-2 2.7 0 0 0 0 -Cr+3 Cl- 5.5989 0 0 0 0 -Cr+3 NO3- 5.1847 0 0 0 0 -Na+ Cr(OH)4- 0.31 0 0 0 0 -Na+ Cr2O2(OH)4-2 0.7 0 0 0 0 -K+ Cr2O7-2 6.3443 0 0 0 0 -Cu+2 Cl- 2.20897 0 0 0 0 -Cu+2 NO3- 1.72906 0 0 0 0 -Cu+2 SO4-2 2.485 0 0 0 0 -Cu+2 HSO4- 2.428 0 0 0 0 -Cu+2 Br- 1.6627 0 0 0 0 -Cu+2 ClO4- 1.90361 0 0 0 0 -Fe+2 Cl- 1.5323 0 0 0 0 -H+ ClO4- 0.2931 0 0 0 0 -K+ CrO4-2 1.113 0 0 0 0 -K+ PO4-3 3.972 0 0 0 0 -K+ B(OH)4- 0.14 0 0 0 0 -K+ B3O3(OH)4- 0 0 0 0 0 -K+ B4O5(OH)4-2 0 0 0 0 0 -Mn+2 Cl- 2.01251 0 0 0 0 -Mn+2 SO4-2 2.98 0 0 0 0 -MgB(OH)4+ Cl- 0 0 0 0 0 -Na+ ClO4- 0.2755 0 0 0 0 -Na+ B(OH)4- 0.089 0 0 0 0 -Na+ B3O3(OH)4- -0.91 0 0 0 0 -Na+ B4O5(OH)4-2 -0.4 0 0 0 0 -Na+ PO4-3 3.8513 0 0 0 0 -Na+ MoO4-2 2.287 0 0 0 0 -Na+ CrO4-2 1.5974 0 0 0 0 -Ni+2 ClO4- 1.98517 0 0 0 0 -Ni+2 Cl- 1.53 0 0 0 0 -Ni+2 Br- 1.49 0 0 0 0 -Ni+2 NO3- 2.10644 0 0 0 0 -Ni+2 SO4-2 2.907 0 0 0 0 -Fe+2 SO4-2 3.063 0 0 0 0 -Fe+3 ClO4- 2.989 0 0 0 0 -Zn+2 Cl- 1.6425 0 0 0 0 -Zn+2 Br- 1.6343 0 0 0 0 -Zn+2 I- 1.9455 0 0 0 0 -Zn+2 NO3- 1.6913 0 0 0 0 -Zn+2 ClO4- 1.797 0 0 0 0 -Zn+2 SO4-2 2.883 0 0 0 0 --B2 -Ca+2 Br- 0 0 0 0 0 -Ca+2 Cl- 0 0 0 0 0 -CaCl+ Cl- 0 0 0 0 0 -Ca+2 NO3- 0 0 0 0 0 -Ca+2 HSO4- 0 0 0 0 0 -Ca+2 I- 0 0 0 0 0 -Ca+2 SO4-2 0 0 0 0 0 -Cs+ Br- 0 0 0 0 0 -Cs+ Cl- 0 0 0 0 0 -Cs+ F- 0 0 0 0 0 -Cs+ I- 0 0 0 0 0 -Cs+ NO3- 0 0 0 0 0 -Cs+ OH- 0 0 0 0 0 -Cs+ SO4-2 0 0 0 0 0 -H+ Br- 0 0 0 0 0 -H+ Cl- 0 0 0 0 0 -H+ HSO4- 0 0 0 0 0 -H+ I- 0 0 0 0 0 -H+ NO3- 0 0 0 0 0 -H+ SO4-2 0 0 0 0 0 -K+ Br- 0 0 0 0 0 -K+ Cl- 0 0 0 0 0 -K+ CO3-2 0 0 0 0 0 -K+ F- 0 0 0 0 0 -K+ HCO3- 0 0 0 0 0 -K+ HPO4-2 0 0 0 0 0 -K+ HSO4- 0 0 0 0 0 -K+ I- 0 0 0 0 0 -K+ NO3- 0 0 0 0 0 -K+ OH- 0 0 0 0 0 -K+ SO4-2 0 0 0 0 0 -Li+ Br- 0 0 0 0 0 -Li+ Cl- 0 0 0 0 0 -Li+ I- 0 0 0 0 0 -Li+ NO3- 0 0 0 0 0 -Li+ OH- 0 0 0 0 0 -Li+ SO4-2 0 0 0 0 0 -Mg+2 Br- 0 0 0 0 0 -Mg+2 Cl- 0 0 0 0 0 -Mg+2 HCO3- 0 0 0 0 0 -Mg+2 HSO4- 0 0 0 0 0 -Mg+2 I- 0 0 0 0 0 -Mg+2 NO3- 0 0 0 0 0 -Mg+2 SO4-2 -35.2588 2.17039e+006 13998.3 -22.8323 0 -Mn+2 Br- 0 0 0 0 0 -Mn+2 ClO4- 0 0 0 0 0 -MgOH+ Cl- 0 0 0 0 0 -Na+ AlO2- 0 0 0 0 0 -Na+ Br- 0 0 0 0 0 -Na+ Cl- 0 0 0 0 0 -Na+ CO3-2 0 0 0 0 0 -Na+ F- 0 0 0 0 0 -Na+ HCO3- 0 0 0 0 0 -Na+ HPO4-2 0 0 0 0 0 -Na+ H2PO4- 0 0 0 0 0 -Na+ HSO4- 0 0 0 0 0 -Na+ I- 0 0 0 0 0 -Na+ NO3- 0 0 0 0 0 -Na+ OH- 0 0 0 0 0 -Na+ SO4-2 0 0 0 0 0 -NH4+ Br- 0 0 0 0 0 -NH4+ Cl- 0 0 0 0 0 -NH4+ HCO3- 0 0 0 0 0 -NH4+ I- 0 0 0 0 0 -NH4+ NO3- 0 0 0 0 0 -NH4+ SO4-2 0 0 0 0 0 -Sr+2 Br- 0 0 0 0 0 -Sr+2 Cl- 0 0 0 0 0 -Sr+2 I- 0 0 0 0 0 -Sr+2 NO3- 0 0 0 0 0 -Al+3 Cl- 0 0 0 0 0 -Ba+2 Cl- 0 0 0 0 0 -Ba+2 Br- 0 0 0 0 0 -Ba+2 I- 0 0 0 0 0 -Ba+2 OH- 0 0 0 0 0 -Ba+2 ClO4- 0 0 0 0 0 -Ba+2 NO3- 0 0 0 0 0 -CaB(OH)4+ Cl- 0 0 0 0 0 -Ca+2 ClO4- 0 0 0 0 0 -Ca+2 MoO4-2 -54.24 0 0 0 0 -Co+2 Cl- 0 0 0 0 0 -Co+2 ClO4- 0 0 0 0 0 -Co+2 Br- 0 0 0 0 0 -Co+2 I- 0 0 0 0 0 -Co+2 NO3- 0 0 0 0 0 -Co+2 SO4-2 -30.7 0 0 0 0 -Cr+3 Cl- 0 0 0 0 0 -Cr+3 NO3- 0 0 0 0 0 -Na+ Cr(OH)4- 0 0 0 0 0 -Na+ Cr2O2(OH)4-2 0 0 0 0 0 -K+ Cr2O7-2 25.9183 0 0 0 0 -Cu+2 Cl- 0 0 0 0 0 -Cu+2 NO3- 0 0 0 0 0 -Cu+2 SO4-2 -47.35 0 0 0 0 -Cu+2 HSO4- 0 0 0 0 0 -Cu+2 Br- 0 0 0 0 0 -Cu+2 ClO4- 0 0 0 0 0 -Fe+2 Cl- 0 0 0 0 0 -H+ ClO4- 0 0 0 0 0 -K+ CrO4-2 0 0 0 0 0 -K+ PO4-3 0 0 0 0 0 -K+ B(OH)4- 0 0 0 0 0 -K+ B3O3(OH)4- 0 0 0 0 0 -K+ B4O5(OH)4-2 0 0 0 0 0 -Mn+2 Cl- 0 0 0 0 0 -Mn+2 SO4-2 -40 0 0 0 0 -MgB(OH)4+ Cl- 0 0 0 0 0 -Na+ ClO4- 0 0 0 0 0 -Na+ B(OH)4- 0 0 0 0 0 -Na+ B3O3(OH)4- 0 0 0 0 0 -Na+ B4O5(OH)4-2 0 0 0 0 0 -Na+ PO4-3 0 0 0 0 0 -Na+ MoO4-2 0 0 0 0 0 -Na+ CrO4-2 0 0 0 0 0 -Ni+2 ClO4- 0 0 0 0 0 -Ni+2 Cl- 0 0 0 0 0 -Ni+2 Br- 0 0 0 0 0 -Ni+2 NO3- 0 0 0 0 0 -Ni+2 SO4-2 -40.06 0 0 0 0 -Fe+2 SO4-2 -42 0 0 0 0 -Fe+3 ClO4- 0 0 0 0 0 -Zn+2 Cl- 0 0 0 0 0 -Zn+2 Br- 0 0 0 0 0 -Zn+2 I- 0 0 0 0 0 -Zn+2 NO3- 0 0 0 0 0 -Zn+2 ClO4- 0 0 0 0 0 -Zn+2 SO4-2 -32.81 0 0 0 0 --C0 -Ca+2 Br- -0.0025721 0 0 0 0 -Ca+2 Cl- 0.00117585 -2.49944 -2.27374e-013 -3.43691e-005 0 -CaCl+ Cl- -0.00677088 -1.41252 1.13687e-013 1.45678e-005 0 -Ca+2 NO3- -0.0026082 -29.6872 -0.162394 0.000220405 0 -Ca+2 HSO4- 0 0 0 0 0 -Ca+2 I- -0.00083792 0 0 0 0 -Ca+2 SO4-2 0 0 0 0 0 -Cs+ Br- 0.000949401 52.6758 0.23335 -0.0002656 0 -Cs+ Cl- -0.000183801 48.4733 0.216077 -0.000239736 0 -Cs+ F- -0.0043 0 0 0 0 -Cs+ I- -0.00365 0 0 0 0 -Cs+ NO3- 0 0 0 0 0 -Cs+ OH- 0 0 0 0 0 -Cs+ SO4-2 0.0029115 0 0 0 0 -H+ Br- 0.00152 0 0 0 0 -H+ Cl- 0.000362 -2.91038e-011 0 -3.036e-005 0 -H+ HSO4- 0 0 0 0 0 -H+ I- 0.00482 0 0 0 0 -H+ NO3- -0.00559627 -6.57638 -0.0577192 0.000110405 0 -H+ SO4-2 0.0593003 -3029.55 -16.072 0.0202175 0 -K+ Br- -1.47498e-005 255.458 1.25575 -0.00152465 0 -K+ Cl- -0.000748605 36.5328 0.148205 -0.000147225 0 -K+ CO3-2 0.00049851 0 0 0 0 -K+ F- 0.00093 0 0 0 0 -K+ HCO3- 0 0 0 0 0 -K+ HPO4-2 0.016387 0 0 0 0 -K+ HSO4- 0 0 0 0 0 -K+ I- -0.00414 0 0 0 0 -K+ NO3- 0.0066 0 0 0 0 -K+ OH- 0.0041 0 0 0 0 -K+ SO4-2 -0.0188 0 9.09495e-013 -2.66454e-015 0 -Li+ Br- 0.00476301 -92.5667 -0.462632 0.000524229 0 -Li+ Cl- 0.00370971 4.52467 0.00327989 -8.61317e-006 0 -Li+ I- 0 0 0 0 0 -Li+ NO3- -0.00551 0 0 0 0 -Li+ OH- 0 0 0 0 0 -Li+ SO4-2 -0.0039934 0 0 0 0 -Mg+2 Br- 0.0031236 0 0 0 0 -Mg+2 Cl- 0.00652611 -26.7038 -0.213795 0.000311488 0 -Mg+2 HCO3- 0 0 0 0 0 -Mg+2 HSO4- 0 0 0 0 0 -Mg+2 I- 0.0079337 0 0 0 0 -Mg+2 NO3- -0.00332923 0 0 0 0 -Mg+2 SO4-2 0.024365 1894.84 10.8446 -0.015634 0 -Mn+2 Br- -0.02269 0 0 0 0 -Mn+2 ClO4- 0.01144 0 0 0 0 -MgOH+ Cl- 0 0 0 0 0 -Na+ AlO2- -0.000303688 205.885 1.07578 -0.00143737 0 -Na+ Br- 0.000749486 -14.2959 -0.165395 0.000305237 0 -Na+ Cl- 0.00153693 48.0725 0.17468 -0.000156269 0 -Na+ CO3-2 0.0052 0 0 8.88178e-016 0 -Na+ F- 0 0 0 0 0 -Na+ HCO3- 0 0 0 0 0 -Na+ HPO4-2 0.02938 0 0 0 0 -Na+ H2PO4- 0.00795 0 0 0 0 -Na+ HSO4- -0.00462067 -5.82077e-011 -2.27374e-013 6.82142e-006 0 -Na+ I- 0.0018 0 0 0 0 -Na+ NO3- 0.000320511 46.9542 0.224387 -0.000263788 0 -Na+ OH- 0.00399944 88.2476 0.406876 -0.000475667 0 -Na+ SO4-2 0.00657125 338.749 1.48134 -0.00164185 0 -NH4+ Br- -0.00436 0 0 0 0 -NH4+ Cl- -0.00307437 7.39922 0.0230712 -1.76252e-005 0 -NH4+ HCO3- 0 0 0 0 0 -NH4+ I- -0.00308 0 0 0 0 -NH4+ NO3- -3e-005 0 0 0 0 -NH4+ SO4-2 -0.000757091 -114.019 -0.75621 0.00120647 0 -Sr+2 Br- 0.0012251 0 0 0 0 -Sr+2 Cl- -0.00089095 0 0 0 0 -Sr+2 I- 0.002657 0 0 0 0 -Sr+2 NO3- -0.019925 0 0 0 0 -Al+3 Cl- 0.00273 0 0 0 0 -Ba+2 Cl- -0.01938 0 0 0 0 -Ba+2 Br- -0.01596 0 0 0 0 -Ba+2 I- -0.01743 0 0 0 0 -Ba+2 OH- 0 0 0 0 0 -Ba+2 ClO4- -0.03126 0 0 0 0 -Ba+2 NO3- 0 0 0 0 0 -CaB(OH)4+ Cl- 0 0 0 0 0 -Ca+2 ClO4- -0.005 0 0 0 0 -Ca+2 MoO4-2 0 0 0 0 0 -Co+2 Cl- -0.01803 0 0 0 0 -Co+2 ClO4- 0.01349 0 0 0 0 -Co+2 Br- -0.00067 0 0 0 0 -Co+2 I- -0.00467 0 0 0 0 -Co+2 NO3- -0.00762 0 0 0 0 -Co+2 SO4-2 0 0 0 0 0 -Cr+3 Cl- -0.04141 0 0 0 0 -Cr+3 NO3- -0.05901 0 0 0 0 -Na+ Cr(OH)4- -0.003 0 0 0 0 -Na+ Cr2O2(OH)4-2 -0.03768 0 0 0 0 -K+ Cr2O7-2 1.6682 0 0 0 0 -Cu+2 Cl- -0.01639 0 0 0 0 -Cu+2 NO3- -0.00842 0 0 0 0 -Cu+2 SO4-2 -0.0012 0 0 0 0 -Cu+2 HSO4- 0 0 0 0 0 -Cu+2 Br- -0.04262 0 0 0 0 -Cu+2 ClO4- 0.00839 0 0 0 0 -Fe+2 Cl- -0.00861 0 0 0 0 -H+ ClO4- 0.00819 0 0 0 0 -K+ CrO4-2 -0.0012 0 0 0 0 -K+ PO4-3 -0.08679 0 0 0 0 -K+ B(OH)4- 0 0 0 0 0 -K+ B3O3(OH)4- 0 0 0 0 0 -K+ B4O5(OH)4-2 0 0 0 0 0 -Mn+2 Cl- -0.01528 0 0 0 0 -Mn+2 SO4-2 0.0182 0 0 0 0 -MgB(OH)4+ Cl- 0 0 0 0 0 -Na+ ClO4- -0.00118 0 0 0 0 -Na+ B(OH)4- 0.0114 0 0 0 0 -Na+ B3O3(OH)4- 0 0 0 0 0 -Na+ B4O5(OH)4-2 0 0 0 0 0 -Na+ PO4-3 -0.051538 0 0 0 0 -Na+ MoO4-2 0.006 0 0 0 0 -Na+ CrO4-2 0.0094 0 0 0 0 -Ni+2 ClO4- 0.01679 0 0 0 0 -Ni+2 Cl- -0.00471 0 0 0 0 -Ni+2 Br- -0.00626 0 0 0 0 -Ni+2 NO3- -0.00394 0 0 0 0 -Ni+2 SO4-2 0.0366 0 0 0 0 -Fe+2 SO4-2 0.0209 0 0 0 0 -Fe+3 ClO4- -0.462 0 0 0 0 -Zn+2 Cl- -0.08798 0 0 0 0 -Zn+2 Br- -0.10792 0 0 0 0 -Zn+2 I- -0.01427 0 0 0 0 -Zn+2 NO3- -0.01567 0 0 0 0 -Zn+2 ClO4- 0.01132 0 0 0 0 -Zn+2 SO4-2 0.029 0 0 0 0 --THETA -Ca+2 H+ 0.092 0 0 0 0 -Ca+2 K+ 0.1156 9.31323e-010 0 1.42109e-014 0 -Ca+2 Na+ 0.05 1.86265e-009 7.27596e-012 0 0 -Ca+2 Mg+2 0.007 0 0 0 0 -Cs+ H+ -0.044 0 0 0 0 -Cs+ K+ 0 0 0 0 0 -Cs+ Li+ -0.1242 0 0 0 0 -Cs+ Na+ -0.03886 0 0 0 0 -Cs+ Mg+2 -0.078 0 0 0 0 -H+ K+ 0.005 0 0 0 0 -H+ Li+ 0.015 0 0 0 0 -H+ Mg+2 0.1 0 0 0 0 -H+ Na+ 0.036 0 0 0 0 -H+ NH4+ -0.019 0 0 0 0 -H+ Sr+2 0.0642 0 0 0 0 -K+ Li+ -0.0563 0 0 0 0 -K+ Mg+2 0 0 0 0 0 -K+ Na+ -0.00320349 14.0213 9.09495e-013 -2.66454e-015 0 -Li+ Na+ 0.0029 0 0 0 0 -Ba+2 H+ 0.0991 0 0 0 0 -Na+ Co+2 0.0382 0 0 0 0 -Ca+2 Co+2 0.1722 0 0 0 0 -Co+2 H+ 0.0829 0 0 0 0 -Co+2 K+ 0.0559 0 0 0 0 -Cr+3 K+ -0.07 0 0 0 0 -Cu+2 K+ -0.16 0 0 0 0 -Cu+2 Na+ 0.037 0 0 0 0 -Cu+2 H+ 0.084 0 0 0 0 -Mg+2 Na+ 0.07 0 0 0 0 -Na+ Mn+2 0.0907 0 0 0 0 -Ni+2 H+ 0.069 0 0 0 0 -Ni+2 K+ 0 0 0 0 0 -Ni+2 Na+ 0 0 0 0 0 -AlO2- NO3- 0.038 0 0 0 0 -AlO2- OH- 0.014 0 0 0 0 -Br- Cl- 0 0 0 0 0 -Br- OH- -0.065 0 0 0 0 -Cl- ClO4- 0.0341 0 0 0 0 -Cl- CO3-2 -0.092 0 0 0 0 -Cl- HCO3- 0.0359 0 0 0 0 -Cl- HSO4- -0.006 0 0 0 0 -Cl- NO3- 0.016 0 0 0 0 -Cl- OH- -0.05 0 0 0 0 -ClO4- OH- -0.032 0 0 0 0 -Cl- SO4-2 0.0703279 182.513 1.32573 -0.00233223 0 -ClO4- SO4-2 0.02 0 0 0 0 -CO3-2 HCO3- -0.04 0 0 0 0 -CO3-2 OH- 0.1 0 0 0 0 -CO3-2 SO4-2 0.02 0 0 0 0 -CO3-2 ClO4- 0.07 0 0 0 0 -HCO3- SO4-2 0.01 0 0 0 0 -HCO3- ClO4- 0.081 0 0 0 0 -HSO4- SO4-2 -0.116842 -3090.83 -14.002 0.0154028 0 -OH- SO4-2 -0.013 0 0 0 0 -OH- Cr(OH)4- 0.014 0 0 0 0 -Cl- CrO4-2 0.02 0 0 0 0 -Cl- Cr2O7-2 0.1 0 0 0 0 -Br- Cr2O7-2 -0.05 0 0 0 0 -Cl- MoO4-2 0.035 0 0 0 0 -SO4-2 B(OH)4- -0.012 0 0 0 0 -SO4-2 B3O3(OH)4- 0.1 0 0 0 0 -SO4-2 B4O5(OH)4-2 0.12 0 0 0 0 -Cl- B(OH)4- -0.065 0 0 0 0 -Cl- B3O3(OH)4- 0.12 0 0 0 0 -Cl- B4O5(OH)4-2 0.074 0 0 0 0 -HCO3- B3O3(OH)4- -0.1 0 0 0 0 -HCO3- B4O5(OH)4-2 -0.087 0 0 0 0 --LAMDA -Ca+2 CO2 0.23088 554.03 2.36157 -0.00253647 0 -H+ CO2 0 0 0 0 0 -K+ CO2 0.11544 277.015 1.18078 -0.00126824 0 -Mg+2 CO2 0.23088 554.03 2.36157 -0.00253647 0 -Na+ CO2 0.11544 277.015 1.18078 -0.00126824 0 -Al+3 O2 0.3095 0 0 0 0 -Ba+2 O2 0.285 0 0 0 0 -Ca+2 O2 0.2497 0 0 0 0 -H+ O2 0.0352846 81.45 -8.09461e-011 1.21206e-013 0 -K+ O2 0.151915 199.431 7.64677e-010 -1.14341e-012 0 -Li+ O2 0.149 0 0 0 0 -Mg+2 O2 0.229806 305.513 -2.15815e-010 3.23403e-013 0 -Na+ O2 0.160236 72.8644 -0.616311 0.0018462 0 -NH4+ O2 0.0751 0 0 0 0 -H+ SiO2 0 0 0 0 0 -Mg+2 SiO2 0.0821096 -3.83318e-009 -2.32691e-011 -0.0018133 0 -Na+ SiO2 -0.0788994 -1.43923e-007 -8.63577e-010 0.000118667 0 -H+ H3PO4 0.29 0 0 0 0 -Cl- CO2 0 0 0 0 0 -SO4-2 CO2 0.0938551 640.652 2.19629 -0.00183326 0 -Cl- O2 0 0 0 0 0 -Br- O2 -0.0347 0 0 0 0 -CO3-2 O2 0.0964892 -277.074 2.03006e-010 -3.0343e-013 0 -HCO3- O2 0.0854 0 0 0 0 -I- O2 -0.0744 0 0 0 0 -NO3- O2 -0.0377 0 0 0 0 -OH- O2 0.0522254 15.571 -2.74032e-010 4.10103e-013 0 -SO4-2 O2 0.0877744 -274.085 1.32907e-009 -1.98728e-012 0 -ClO4- CO2 -0.07 0 0 0 0 -Cl- SiO2 0.142309 167.356 1.50701 -0.00321903 0 -NO3- SiO2 0.134079 6301.5 35.5262 -0.0502191 0 -SO4-2 SiO2 0.0775993 1.55517e-007 9.33172e-010 0.00055333 0 -H2PO4- H3PO4 -0.4 0 0 0 0 -CO2 CO2 -0.0114856 1172.99 5.6247 -0.00680013 0 -CaCl2 CaCl2 3.7094 5485.62 -1.01905e-010 0.0199031 0 -H3PO4 H3PO4 0.0503 0 0 0 0 -SiO2 SiO2 0 0 0 0 0 -CO2 SiO2 0 0 0 0 0 --ZETA -Na+ Cl- CO2 -0.00756938 0 0 6.05286e-006 0 -Na+ SO4-2 CO2 -0.0105 0 0 0 0 -Ba+2 Cl- O2 0 0 0 0 0 -Ca+2 Cl- O2 -0.0169 0 0 0 0 -Ca+2 NO3- O2 0 0 0 0 0 -H+ Cl- O2 -0.0077 0 0 0 0 -K+ Br- O2 -0.00541 0 0 0 0 -K+ Cl- O2 -0.0211 0 0 0 0 -K+ OH- O2 -0.00706412 -15.075 -0.0452072 4.50985e-005 0 -K+ NO3- O2 -0.0281 0 0 0 0 -K+ SO4-2 O2 0 0 0 0 0 -Li+ Cl- O2 0 0 0 0 0 -Na+ Br- O2 -0.00909 0 0 0 0 -Na+ Cl- O2 -0.00918665 -2.739 3.25992e-011 -4.87959e-014 0 -Na+ CO3-2 O2 -0.0181 0 0 0 0 -Na+ HCO3- O2 0 0 0 0 0 -Na+ NO3- O2 -0.012 0 0 0 0 -Na+ OH- O2 -0.0125 0 0 0 0 -Na+ SO4-2 O2 -0.046 0 0 0 0 -NH4+ SO4-2 O2 0 0 0 0 0 -H+ NO3- SiO2 -0.0033 0 0 0 0 -Mg+2 Cl- SiO2 -0.0514692 1.49594e-008 8.98686e-011 0.000594133 0 -Na+ Cl- SiO2 -8.47766e-015 -1.84314e-008 -1.10633e-010 -0.0002 0 --PSI -Ca+2 K+ Cl- -0.043189 -27.0771 -3.63798e-012 3.55271e-015 0 -Ca+2 Na+ Cl- -0.003 0 1.13687e-013 -6.66134e-016 0 -Ca+2 Na+ SO4-2 -0.012 0 4.54747e-013 -2.66454e-015 0 -K+ Mg+2 Cl- -0.022 -14.27 0 0 0 -K+ Na+ Cl- -0.00369149 -5.10213 -3.41061e-013 6.66134e-016 0 -K+ Na+ SO4-2 0.00732101 -71.6091 -0.394156 0.000606679 0 -Mg+2 Na+ Cl- -0.012 -9.51 0 0 0 -H+ Na+ HSO4- -0.0129 0 0 0 0 -H+ Na+ ClO4- -0.016 0 0 0 0 -Ca+2 Na+ ClO4- -0.02 0 0 0 0 -Na+ HCO3- ClO4- -0.019 0 0 0 0 -Cr+3 Na+ Cl- 0.01 0 0 0 0 -Cr+3 K+ Cl- -0.01 0 0 0 0 -Cs+ Na+ ClO4- 0.0026 0 0 0 0 -Cs+ Na+ Cl- -0.00135 0 0 0 0 -Cs+ Na+ SO4-2 0.0023 0 0 0 0 -Cs+ K+ Cl- -0.0013 0 0 0 0 -Cs+ K+ SO4-2 -0.0042 0 0 0 0 -Cs+ Mg+2 Cl- -0.044 0 0 0 0 -Cs+ Mg+2 SO4-2 -0.08 0 0 0 0 -Al+3 K+ Cl- -0.06 0 0 0 0 -Al+3 Mg+2 Cl- -0.024 0 0 0 0 -Ba+2 H+ Cl- -0.0081 0 0 0 0 -Na+ Co+2 Cl- -0.0056 0 0 0 0 -Ca+2 Co+2 Cl- -0.0332 0 0 0 0 -Co+2 K+ Cl- -0.0315 0 0 0 0 -Co+2 H+ Cl- 0.0075 0 0 0 0 -Cu+2 Na+ Cl- -0.0129 0 0 0 0 -Cu+2 Na+ SO4-2 -0.0235 0 0 0 0 -Cu+2 K+ Cl- -0.001 0 0 0 0 -Cu+2 K+ SO4-2 0.06 0 0 0 0 -Cu+2 H+ HSO4- -0.019 0 0 0 0 -Mg+2 H+ Cl- -0.011 0 0 0 0 -Mg+2 MgOH+ Cl- 0.028 0 0 0 0 -Na+ Mn+2 Cl- -0.019 0 0 0 0 -Ni+2 H+ Cl- 0.0044 0 0 0 0 -Ni+2 K+ Cl- -0.031 0 0 0 0 -Ni+2 K+ SO4-2 -0.069 0 0 0 0 -Ni+2 Na+ SO4-2 -0.015 0 0 0 0 -Ni+2 H+ Br- 0.06 0 0 0 0 -Ca+2 Cl- SO4-2 -0.018 -6.98492e-010 -2.72848e-012 1.77636e-015 0 -K+ Cl- SO4-2 -0.00161523 37.562 2.89901e-012 0.000284698 0 -Mg+2 Cl- SO4-2 -0.00796 32.63 0 0 0 -Na+ AlO2- NO3- 0.0066 0 0 0 0 -Na+ Cl- NO3- -0.006 0 0 0 0 -Na+ HCO3- Cl- -0.0143 0 0 0 0 -Na+ CO3-2 Cl- 0.016 0 0 0 0 -Na+ AlO2- OH- -0.0048 0 0 0 0 -Na+ Cl- OH- -0.00601 -9.93 0 0 0 -Na+ Cl- SO4-2 -0.00908855 -78.6142 -0.551999 0.000946106 0 -Na+ HSO4- SO4-2 0.0143653 258.084 1.16444 -0.00125524 0 -Na+ OH- SO4-2 -0.0091 -11.69 0 0 0 -H+ HSO4- SO4-2 0.02781 0 0 0 0 -Na+ ClO4- SO4-2 0.0014 0 0 0 0 -Na+ B(OH)4- Cl- -0.0073 0 0 0 0 -Cs+ ClO4- Cl- 0.0023 0 0 0 0 -Na+ ClO4- Cl- -0.0057 0 0 0 0 -Na+ B3O3(OH)4- Cl- -0.024 0 0 0 0 -Na+ B4O5(OH)4-2 Cl- 0.026 0 0 0 0 -Na+ OH- Cr(OH)4- -0.0048 0 0 0 0 -K+ Cl- CrO4-2 0.035 0 0 0 0 -Na+ Cl- CrO4-2 -0.004 0 0 0 0 -K+ Cl- Cr2O7-2 -0.7 0 0 0 0 -K+ Br- Cr2O7-2 -0.7 0 0 0 0 -K+ SO4-2 Cr2O7-2 -0.7 0 0 0 0 -Cu+2 Cl- SO4-2 0.01 0 0 0 0 -Na+ Cl- MoO4-2 0.0032 0 0 0 0 --MU -CO2 CO2 CO2 0 0 0 0 0 -CaCl2 CaCl2 CaCl2 0 0 0 0 0 -H3PO4 H3PO4 H3PO4 0.0109 0 0 0 0 -SiO2 SiO2 SiO2 0 0 0 0 0 -CO2 CO2 SiO2 0 0 0 0 0 -SiO2 SiO2 CO2 0 0 0 0 0 --ETA -PHASES -Albite - AlNaO8Si3 + 4 H+ = 1 Al+3 + 1 Na+ + 2 H2O + 3 SiO2 - logk 2.8495 - -analytical -42.136 -0.0137224 4440.75 13.7811 64.9546 -Alunite - Al3H6KO14S2 + 6 H+ = 1 K+ + 2 SO4-2 + 3 Al+3 + 6 H2O - logk -2.4018 - -analytical -681.181 -0.222279 25696 266.222 393.838 -Amesite-7A - Al2H4Mg2O9Si + 10 H+ = 1 SiO2 + 2 Al+3 + 2 Mg+2 + 7 H2O - logk 39.1427 - -analytical -414.29 -0.0953254 32230.7 151.016 499.288 -Amesite-14A - Al4H8Mg4O18Si2 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O - logk 71.5387 - -analytical -818.692 -0.189557 62349.9 298.04 965.637 -Analcime - Al0.96H2Na0.96O7Si2.04 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O - logk 6.0057 - -analytical -101.299 -0.0242806 7219.04 36.4798 109.295 -Analcime-dehy - Al0.96Na0.96O6Si2.04 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2 - logk 12.3685 - -analytical -41.2622 -0.000938825 8092.99 10.7925 123.08 -Anhydrite - CaO4S = 1 Ca+2 + 1 SO4-2 - logk -4.3193 - -analytical 38.2552 -0.0229225 -2591.99 -10.9298 -42.4529 -Antarcticite - CaCl2H12O6 = 1 Ca+2 + 2 Cl- + 6 H2O - logk 4.0875 -Antigorite(am) - H4Mg3O9Si2 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O - logk 34.5025 - -analytical 4.04316 0.000142474 9281.38 -0.288954 144.809 -Aragonite - CCaO3 + 1 H+ = 1 Ca+2 + 1 HCO3- - logk 1.9931 - -analytical -149.329 -0.048043 4908.59 60.2804 75.0803 -Arcanite - K2O4S = 1 SO4-2 + 2 K+ - logk -1.7916 - -analytical 14.1772 -0.0209474 -2912.86 0.0189941 -47.2865 -Artinite - CH8Mg2O8 + 3 H+ = 1 HCO3- + 2 Mg+2 + 5 H2O - logk 19.656 - -analytical -286.088 -0.0673406 15228.1 111.019 235.523 -Barite - BaO4S = 1 Ba+2 + 1 SO4-2 - logk -9.9711 - -analytical -187.464 -0.0755196 2078.68 77.9943 29.4461 -Beidellite-Mg - Al2.33H2Mg0.165O12Si3.67 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O - logk 4.8971 - -analytical -74.1724 -0.0371763 9405.62 23.6379 140.607 -Beidellite-Ca - Al2.33Ca0.165H2O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O - logk 4.9352 - -analytical -71.5416 -0.0370508 9159.38 22.909 136.785 -Beidellite-K - Al2.33H2K0.33O12Si3.67 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O - logk 4.6522 - -analytical -63.2861 -0.0350916 8389.36 20.2662 124.797 -Beidellite-Na - Al2.33H2Na0.33O12Si3.67 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O - logk 4.9911 - -analytical -69.0165 -0.035417 8858.86 22.1215 132.092 -Beidellite-H - Al2.33H2.33O12Si3.67 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O - logk 3.9773 - -analytical -62.6989 -0.0343559 8520.32 19.4903 126.89 -Bischofite - Cl2H12MgO6 = 1 Mg+2 + 2 Cl- + 6 H2O - logk 4.357 - -analytical -323.654 -0.0882897 9860.95 129.813 150.941 -Bloedite - H8MgNa2O12S2 = 1 Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O - logk -2.3469 -Boehmite - AlHO2 + 3 H+ = 1 Al+3 + 2 H2O - logk 8.6014 - -analytical -122.486 -0.0303634 9223.23 44.127 143.158 -Borax - B4H20Na2O17 + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O - logk 12.464 -Boric_acid - BH3O3 = 1 B(OH)3 - logk -0.0304 -KB5O8:4H2O - B5H8KO12 + 1 H+ + 3 H2O = 1 K+ + 5 B(OH)3 - logk 4.6715 -K2B4O7:4H2O - B4H8K2O11 + 2 H+ + 1 H2O = 2 K+ + 4 B(OH)3 - logk 13.9063 -NaBO2:4H2O - BH8NaO6 + 1 H+ = 1 Na+ + 1 B(OH)3 + 3 H2O - logk 9.5682 -NaB5O8:5H2O - B5H10NaO13 + 1 H+ + 2 H2O = 1 Na+ + 5 B(OH)3 - logk 5.8951 -NaBO2:NaCl:2H2O - BH4Na2O4Cl + 1 H+ = 2 Na+ + 1 B(OH)3 + 1 H2O + 1 Cl- - logk 10.8402 -Brushite - CaH5PO6 = 1 Ca+2 + 1 HPO4-2 + 2 H2O - logk -6.7334 - -analytical -262.806 -0.0876254 6120.43 105.732 92.5699 -Burkeite - CNa6O11S2 + 1 H+ = 1 HCO3- + 2 SO4-2 + 6 Na+ - logk 9.5671 -CaBr2 - CaBr2 = 1 Ca+2 + 2 Br- - logk 16.9439 - -analytical -208.916 -0.0782624 9784.9 87.4264 149.795 -Ca2Cl2(OH)2:H2O - Ca2Cl2H4O3 + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O - logk 26.5313 -Ca4Cl2(OH)6:13H2O - Ca4Cl2H32O19 + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O - logk 68.7343 -CaCl2 - CaCl2 = 1 Ca+2 + 2 Cl- - logk 11.942 - -analytical -210.02 -0.078342 8690.98 87.3438 132.783 -CaCl2:2H2O - CaCl2H4O2 = 1 Ca+2 + 2 Cl- + 2 H2O - logk 8.1163 -CaCl2:4H2O - CaCl2H8O4 = 1 Ca+2 + 2 Cl- + 4 H2O - logk 5.7588 -CaI2 - CaI2 = 1 Ca+2 + 2 I- - logk 21.6357 - -analytical -210.665 -0.0790864 10785.1 88.7742 165.554 -Calcite - CCaO3 + 1 H+ = 1 Ca+2 + 1 HCO3- - logk 1.8187 - -analytical 81.4192 -0.00450092 -2718.66 -27.9245 -39.666 -Ca(NO3)2 - CaN2O6 = 1 Ca+2 + 2 NO3- - logk 5.5269 - -analytical -199.442 -0.0734198 5401.66 84.3435 81.6669 -Ca(NO3)2:2H2O - CaN2O8H4 = 1 Ca+2 + 2 NO3- + 2 H2O - logk 3.4941 - -analytical -220.965 -0.0736462 4895.25 92.9336 73.7708 -Ca(NO3)2:3H2O - CaN2O9H6 = 1 Ca+2 + 2 NO3- + 3 H2O - logk 2.5539 - -analytical -234.344 -0.0737772 4935.91 97.9212 74.4102 -Ca(NO3)2:4H2O - CaN2O10H8 = 1 Ca+2 + 2 NO3- + 4 H2O - logk 1.7958 - -analytical -248.558 -0.0738614 5154.11 103.074 77.8166 -Carnallite - Cl3H12KMgO6 = 1 K+ + 1 Mg+2 + 3 Cl- + 6 H2O - logk 4.2296 - -analytical -262.031 -0.0773511 6959.18 107.466 104.27 -Carobbite - KF = 1 K+ + 1 F- - logk 4.4286 - -analytical -105.303 -0.0370254 3436.65 44.1403 52.1929 -Celadonite - AlH2KMgO12Si4 + 6 H+ = 1 Al+3 + 1 K+ + 1 Mg+2 + 4 H2O + 4 SiO2 - logk 7.8372 - -analytical -95.5787 -0.0223224 7971.9 33.6327 118.516 -Celestite - O4SSr = 1 SO4-2 + 1 Sr+2 - logk -6.632 -Chabazite - Al3.8Ca1.5Na0.2H20O34Si8.2K0.6 + 15.2 H+ = 0.2 Na+ + 1.5 Ca+2 + 3.8 Al+3 + 8.2 SiO2 + 17.6 H2O + 0.6 K+ - logk 10.3714 - -analytical -392.769 -0.0924726 25794.6 139.004 390.026 -Chamosite-7A - Al2Fe2H4O9Si + 10 H+ = 1 SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O - logk 32.6174 - -analytical -392.123 -0.0945596 29198.4 143.439 452.048 -Chloromagnesite - MgCl2 = 1 Mg+2 + 2 Cl- - logk 21.8541 - -analytical -236.465 -0.082065 13478.8 95.9947 207.374 -Clinoptilolite - Al3.45Ba0.062Ca0.761Fe0.017H21.844K0.543Mg0.124Mn0.002Na0.954O46.922Si14.533Sr0.036 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O - logk -8.4187 - -analytical -240.855 -0.0839554 11360 88.5015 157.493 -Clinoptilolite-dehy - Al3.45Ba0.062Ca0.761Fe0.017K0.543Mg0.124Mn0.002Na0.954O36Si14.533Sr0.036 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 - logk 27.2165 - -analytical -91.1253 -0.054599 19452.9 27.8844 283.681 -Clinoptilolite-Ca - Al3.45Ca1.7335Fe0.017H21.844O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O - logk -5.6428 - -analytical -542.13 -0.2567 16525.8 225.188 237.803 -Clinoptilolite-Cs - Al3.45Cs3.467Fe0.017H21.844O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O - logk -11.6912 - -analytical -379.286 -0.22275 3484.79 170.518 34.1944 -Clinoptilolite-K - Al3.45Fe0.017H21.844K3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O - logk -9.5819 - -analytical -455.638 -0.237639 7364.34 198.765 95.0862 -Clinoptilolite-NH4 - Al3.45Fe0.017H35.712N3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH4+ + 14.533 SiO2 + 17.856 H2O - logk -9.0742 -Clinoptilolite-Na - Al3.45Fe0.017H21.844Na3.467O46.922Si14.533 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O - logk -5.7696 - -analytical -529.859 -0.241795 13475.7 222.516 190.202 -Clinoptilolite-Sr - Al3.45Fe0.017H21.844O46.922Si14.533Sr1.7335 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O - logk -5.7825 - -analytical -519.963 -0.251453 15480.8 216.957 221.374 -Cristobalite(alpha) - O2Si = 1 SiO2 - logk -3.1922 - -analytical 38.7155 0.00745235 -2255.14 -14.7859 -36.3011 -Cronstedtite-7A - Fe4H4O9Si + 10 H+ = 1 SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O - logk 17.3756 - -analytical -405.607 -0.0941652 24507.3 149.041 378.845 -Cryolite - Na3AlF6 = 3 Na+ + 1 Al+3 + 6 F- - logk -32.4002 - -analytical -772.506 -0.248156 15569.6 307.841 233.871 -Daphnite-14A - Al2Fe5H8O18Si3 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O - logk 51.6383 - -analytical -568.436 -0.135618 42817.7 208.839 660.843 -Daphnite-7A - Al2Fe5H8O18Si3 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O - logk 55.0117 - -analytical -579.983 -0.137356 44028.8 213.436 679.769 -Dawsonite - AlCH2NaO5 + 3 H+ = 1 Al+3 + 1 HCO3- + 1 Na+ + 2 H2O - logk 3.6618 -Dolomite - C2CaMgO6 + 2 H+ = 1 Ca+2 + 1 Mg+2 + 2 HCO3- - logk 2.5135 - -analytical -317.797 -0.0981791 10844.2 126.559 166.1 -Epsomite - H14MgO11S = 1 Mg+2 + 1 SO4-2 + 7 H2O - logk -1.9715 - -analytical -384.068 -0.105253 10015.3 153.504 153.124 -Erionite - Al4.2Ca0.9K1.5H26O49Si13.8Na0.9 + 16.8 H+ = 1.5 K+ + 4.2 Al+3 + 0.9 Ca+2 + 13.8 SiO2 + 21.4 H2O + 0.9 Na+ - logk -4.8296 - -analytical -259.453 -0.0619946 15676.1 88.9768 225.604 -Ferroaluminoceladonite - AlH2KFeO12Si4 + 6 H+ = 1 Al+3 + 1 K+ + 1 Fe+2 + 4 H2O + 4 SiO2 - logk 4.5745 - -analytical 9.97245 -0.0127411 2585.51 -4.19655 34.2902 -Ferroceladonite - Fe2H2KO12Si4 + 6 H+ = 1 Fe+3 + 1 K+ + 1 Fe+2 + 4 H2O + 4 SiO2 - logk -3.0464 - -analytical -14.4602 -0.0144572 921.605 5.06028 8.36248 -Fe2(MoO4)3 - Fe2Mo3O12 = 3 MoO4-2 + 2 Fe+3 - logk -38.52 -FeF3 - F3Fe = 1 Fe+3 + 3 F- - logk -19.2386 - -analytical -396.118 -0.12998 9355.66 155.261 141.448 -Fe2(SO4)3 - Fe2O12S3 = 2 Fe+3 + 3 SO4-2 - logk 0.8936 - -analytical -622.564 -0.239433 23842.5 248.433 362.754 -Fluorapatite - Ca5FO12P3 + 3 H+ = 1 F- + 3 HPO4-2 + 5 Ca+2 - logk -24.994 -Fluorite - CaF2 = 1 Ca+2 + 2 F- - logk -10.0371 - -analytical -250.379 -0.0841881 4952.95 100.542 74.3105 -Gaylussite - C2CaH10Na2O11 + 2 H+ = 1 Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O - logk 11.2576 -Gibbsite - AlH3O3 + 3 H+ = 1 Al+3 + 3 H2O - logk 7.756 -Glaserite - NaK3O8S2 = 1 Na+ + 2 SO4-2 + 3 K+ - logk -3.8027 -Glauberite - CaNa2O8S2 = 1 Ca+2 + 2 Na+ + 2 SO4-2 - logk -5.1827 - -analytical -1176.03 -0.333312 32591.3 469.138 525.037 -Goethite - FeHO2 + 3 H+ = 1 Fe+3 + 2 H2O - logk 0.5347 - -analytical -155.806 -0.0368941 7422.37 57.5611 115.082 -Greenalite - Fe3H4O9Si2 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O - logk 23.1624 - -analytical -187.706 -0.0423382 14992.7 69.9696 230.237 -Gypsum - CaH4O6S = 1 Ca+2 + 1 SO4-2 + 2 H2O - logk -4.5199 - -analytical 595.025 0.130898 -18425.3 -233.081 -297.408 -Halite - ClNa = 1 Cl- + 1 Na+ - logk 1.5857 - -analytical -109.351 -0.0373144 2470.11 45.9737 38.7981 -Hematite - Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - logk 0.1086 - -analytical -270.261 -0.0637638 13829.8 98.1909 214.326 -Hemihydrate - CaHO4.5S = 1 Ca+2 + 1 SO4-2 + 0.5 H2O - logk -3.7773 - -analytical 81.5557 -0.00437956 -3026.76 -29.8462 -48.3568 -Heulandite - Al2.165Ba0.065Ca0.585H12K0.132Na0.383O24Si6.835Sr0.175 + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O - logk 3.622 - -analytical -200.737 -0.0583878 12103.4 73.142 178.964 -Hexahydrite - H12MgO10S = 1 Mg+2 + 1 SO4-2 + 6 H2O - logk -1.6712 - -analytical -364.044 -0.10209 10015.2 145.152 153.116 -Huntite - C4CaMg3O12 + 4 H+ = 1 Ca+2 + 3 Mg+2 + 4 HCO3- - logk 10.301 - -analytical -649.952 -0.196711 24813.1 256.858 380.841 -Hydroxylapatite - Ca5HO13P3 + 4 H+ = 1 H2O + 3 HPO4-2 + 5 Ca+2 - logk -3.0746 -Hydromagnesite - C4H10Mg5O18 + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O - logk 30.8539 - -analytical -792.808 -0.21448 36746.8 308.857 566.473 -Illite - Al2.3H2K0.6Mg0.25O12Si3.5 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O - logk 8.3706 - -analytical -91.1618 -0.0407234 10315.7 31.1022 154.894 -Jarosite - Fe3H6KO14S2 + 6 H+ = 1 K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O - logk -9.3706 -Jarosite-Na - Fe3H6NaO14S2 + 6 H+ = 1 Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O - logk -5.4482 -K-Feldspar - AlKO8Si3 + 4 H+ = 1 Al+3 + 1 K+ + 2 H2O + 3 SiO2 - logk -0.1903 - -analytical -39.1881 -0.0160588 2780.73 13.8944 39.2611 -K2CO3 - K2CO3 + 1 H+ = 2 K+ + 1 HCO3- - logk 15.3005 - -analytical -111.85 -0.0390095 5207.73 49.0185 79.8423 -K2CO3:1.5H2O - CH3K2O4.5 + 1 H+ = 1 HCO3- + 1.5 H2O + 2 K+ - logk 13.372 -K2O - K2O + 2 H+ = 2 K+ + 1 H2O - logk 83.9772 - -analytical -28.8514 -0.00693573 23635 14.3929 368.44 -K2Si4O9 - K2Si4O9 + 2 H+ = 2 K+ + 4 SiO2 + 1 H2O - logk 14.5138 - -analytical 131.573 0.0212645 -2762.32 -46.1627 -48.077 -K3H(SO4)2 - HK3O8S2 = 1 H+ + 2 SO4-2 + 3 K+ - logk -3.5425 -K8H4(CO3)6:3H2O - C6H10K8O21 + 2 H+ = 3 H2O + 6 HCO3- + 8 K+ - logk 27.6874 -Kainite - ClH6KMgO7S = 1 Cl- + 1 K+ + 1 Mg+2 + 1 SO4-2 + 3 H2O - logk -0.1926 -KAlCl4 - KAlCl4 = 1 K+ + 1 Al+3 + 4 Cl- - logk 34.4833 - -analytical -428.057 -0.162067 21877.4 176.765 335.659 -K2HPO4 - K2HPO4 = 2 K+ + 1 HPO4-2 - logk 3.0685 - -analytical -195.505 -0.0755722 5083.55 82.4484 76.5202 -K3AlCl6 - K3AlCl6 = 3 K+ + 1 Al+3 + 6 Cl- - logk 31.6052 - -analytical -608.409 -0.231678 22951.9 255.404 349.726 -K3AlF6 - K3AlF6 = 3 K+ + 1 Al+3 + 6 F- - logk -24.8505 - -analytical -716.589 -0.244902 14448.8 289.423 216.605 -K3PO4 - K3PO4 + 1 H+ = 3 K+ + 1 HPO4-2 - logk 13.592 - -analytical -196.721 -0.0768887 7288.22 84.361 110.711 -Kalicinite - CHKO3 = 1 HCO3- + 1 K+ - logk 0.2814 -KAl(SO4)2 - KAlS2O8 = 1 K+ + 1 Al+3 + 2 SO4-2 - logk 2.6929 - -analytical -426.225 -0.162245 14916.3 172.632 226.639 -KAl(SO4)2:3H2O - KAlS2H6O11 = 1 K+ + 1 Al+3 + 2 SO4-2 + 3 H2O - logk -1.3959 - -analytical -459.007 -0.162612 13804.4 185.779 209.3 -KAl(SO4)2:12H2O - KAlS2H24O20 = 1 K+ + 1 Al+3 + 2 SO4-2 + 12 H2O - logk -6.9137 - -analytical -931.403 -0.269691 23122.4 374.73 354.751 -Kaolinite - Al2H4O9Si2 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O - logk 5.9539 - -analytical -203.122 -0.0520307 13011.9 73.098 199.397 -KBr - KBr = 1 K+ + 1 Br- - logk 1.0666 - -analytical -81.8576 -0.0334454 731.358 36.5428 10.0411 -KClO4 - KClO4 = 1 K+ + 1 ClO4- - logk -1.6258 - -analytical -81.9695 -0.0313607 -523.872 36.9517 -9.30192 -KH2PO4 - KH2PO4 = 1 K+ + 1 H+ + 1 HPO4-2 - logk -7.7296 - -analytical -187.562 -0.0718743 2493.12 77.9413 36.2576 -KI - KI = 1 K+ + 1 I- - logk 1.9904 - -analytical -83.203 -0.033878 862.419 37.3349 12.1618 -Kieserite - H2MgO5S = 1 H2O + 1 Mg+2 + 1 SO4-2 - logk -0.0239 - -analytical -257.978 -0.0857205 8476.33 103.067 129.075 -KMgCl3:2H2O - Cl3H4KMgO2 = 1 K+ + 1 Mg+2 + 2 H2O + 3 Cl- - logk 13.9755 -KNaCO3:6H2O - CH12KNaO9 + 1 H+ = 1 HCO3- + 1 K+ + 1 Na+ + 6 H2O - logk 10.2233 -KOH - KOH + 1 H+ = 1 K+ + 1 H2O - logk 24.6647 - -analytical -23.3935 -0.0050498 6860.47 10.7295 106.872 -Labile_Salt - Na2Ca5S6O27H6 = 2 Na+ + 5 Ca+2 + 6 SO4-2 + 3 H2O - logk 8.4195 - -analytical 38460 10.6799 -1.03009e+006 -15428.3 -16485.5 -Lansfordite - CH10MgO8 + 1 H+ = 1 HCO3- + 1 Mg+2 + 5 H2O - logk 4.8409 -Laumontite - Al4Na0.2H16K0.2O32Si8Ca1.8 + 16 H+ = 1.8 Ca+2 + 4 Al+3 + 0.2 K+ + 8 SiO2 + 16 H2O + 0.2 Na+ - logk 14.2657 - -analytical -427.311 -0.106284 28437.6 152.618 431.152 -Leonhardtite - MgSO8H8 = 1 Mg+2 + 1 SO4-2 + 4 H2O - logk -1.0359 - -analytical -321.17 -0.095544 9319.98 128.236 142.257 -Leonite - H8K2MgO12S2 = 1 Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O - logk -3.979 -Lime - CaO + 2 H+ = 1 Ca+2 + 1 H2O - logk 32.5761 - -analytical -72.6693 -0.0176566 12198.2 28.1225 189.89 -Magnesite - CMgO3 + 1 H+ = 1 HCO3- + 1 Mg+2 - logk 2.2936 - -analytical -166.64 -0.0494695 6433.95 65.501 98.7795 -Magnetite - Fe3O4 + 8 H+ = 1 Fe+2 + 2 Fe+3 + 4 H2O - logk 10.4724 - -analytical -354.562 -0.0832123 20709.8 129.461 321.141 -Maximum_Microcline - AlKO8Si3 + 4 H+ = 1 Al+3 + 1 K+ + 2 H2O + 3 SiO2 - logk -0.1903 - -analytical -22.7208 -0.0123868 2277.5 7.47861 31.3282 -Mercallite - HKO4S = 1 H+ + 1 K+ + 1 SO4-2 - logk -1.4015 -Mesolite - Al1.99Ca0.657H5.294Na0.676O12.647Si3.01 + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O - logk 13.029 - -analytical -288.55 -0.0715675 17625.2 106.569 269.563 -MgBr2 - MgBr2 = 1 Mg+2 + 2 Br- - logk 27.6871 - -analytical -222.676 -0.0788434 14476 91.0389 222.884 -MgCl2:H2O - MgCl2H2O = 1 Mg+2 + 2 Cl- + 1 H2O - logk 16.1034 - -analytical -251.326 -0.0834369 12045.1 101.785 184.998 -MgCl2:2H2O - MgCl2H4O2 = 1 Mg+2 + 2 Cl- + 2 H2O - logk 12.75 - -analytical -264.212 -0.0843976 11198.5 106.901 171.793 -MgCl2:4H2O - MgCl2H8O4 = 1 Mg+2 + 2 Cl- + 4 H2O - logk 7.3158 - -analytical -292.065 -0.0863525 9957.61 117.879 152.44 -MgI2 - MgI2 = 1 Mg+2 + 2 I- - logk 34.442 - -analytical -224.276 -0.0796544 16045.5 92.3869 247.526 -MgMoO4 - MgMoO4 = 1 Mg+2 + 1 MoO4-2 - logk -0.629 - -analytical -256.115 -0.0850102 8858.39 101.467 135.248 -Mg(NO3)2 - MgN2O6 = 1 Mg+2 + 2 NO3- - logk 15.1741 - -analytical -220.129 -0.0753944 9766.18 90.9228 149.625 -MgOHCl - ClHMgO + 1 H+ = 1 Cl- + 1 H2O + 1 Mg+2 - logk 15.937 - -analytical -172.644 -0.0513614 10516.4 68.1342 162.333 -MgSO4 - MgSO4 = 1 Mg+2 + 1 SO4-2 - logk 4.8599 - -analytical -235.402 -0.0823751 9624.62 93.9569 146.985 -Minnesotaite - Fe3H2O12Si4 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2 - logk 15.0002 - -analytical -87.5504 -0.0243312 9515.69 31.4318 142.459 -Mirabilite - H20Na2O14S = 1 SO4-2 + 2 Na+ + 10 H2O - logk -1.2185 - -analytical 28437.8 8.55876 -735896 -11526.8 -11945 -Misenite - H6K8O28S7 = 6 H+ + 7 SO4-2 + 8 K+ - logk -10.8061 -Molysite - Cl3Fe = 1 Fe+3 + 3 Cl- - logk 13.5217 - -analytical -359.51 -0.127377 15532.8 145.021 238.032 -Montmorillonite-H - Al1.67Mg0.33O12Si4H2.33 + 5.67 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O - logk 1.4445 - -analytical -5.475 -0.0180293 4485.71 -1.15793 63.8907 -Montmorillonite-Na - Al1.67Mg0.33O12Si4H2Na0.33 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.33 Na+ - logk 2.4583 - -analytical -11.7311 -0.0190783 4822.23 1.44975 69.061 -Montmorillonite-K - Al1.67Mg0.33O12Si4H2K0.33 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.33 K+ - logk 2.1194 - -analytical -5.91544 -0.0187375 4349.68 -0.437789 61.7181 -Montmorillonite-Ca - Al1.67Mg0.33O12Si4H2Ca0.165 + 6 H+ = 0.33 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O + 0.165 Ca+2 - logk 2.4024 - -analytical -14.2327 -0.0207093 5121.69 2.2288 73.7363 -Montmorillonite-Mg - Al1.67Mg0.495O12Si4H2 + 6 H+ = 0.495 Mg+2 + 4 SiO2 + 1.67 Al+3 + 4 H2O - logk 2.3643 - -analytical -16.8393 -0.0208289 5367.19 2.94824 77.5495 -Mordenite - Al0.94Ca0.2895H6.936Na0.361O15.468Si5.06 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O - logk -4.5423 - -analytical -7.70644 -0.00723919 886.672 0.898215 7.13797 -NaBr - BrNa = 1 Br- + 1 Na+ - logk 2.9204 - -analytical -99.9637 -0.0344769 2469.74 42.3765 37.0884 -NaClO4 - NaClO4 = 1 Na+ + 1 ClO4- - logk 2.835 - -analytical -99.0835 -0.0320422 1973.68 42.3667 29.5879 -NaI - NaI = 1 I- + 1 Na+ - logk 5.1306 - -analytical -101.21 -0.0349104 2993.79 43.1159 45.3437 -NaNO2 - NaNO2 = 1 Na+ + 1 NO2- - logk 0.7016 - -analytical -104.952 -0.0349199 1925.99 44.2863 28.6574 -NaOH - NaOH + 1 H+ = 1 Na+ + 1 H2O - logk 20.905 - -analytical -45.0002 -0.006464 6987.09 17.9401 108.752 -Na2CO3:7H2O - CH14Na2O10 + 1 H+ = 1 HCO3- + 2 Na+ + 7 H2O - logk 9.8791 -Na2CrO4 - Na2CrO4 = 2 Na+ + 1 CrO4-2 - logk 3.5616 - -analytical -204.311 -0.0723054 5715.26 84.9547 86.1783 -Na2MoO4 - Na2MoO4 = 2 Na+ + 1 MoO4-2 - logk 1.2688 - -analytical -230.053 -0.074205 6098.8 94.1412 92.2479 -Na2O - Na2O + 2 H+ = 2 Na+ + 1 H2O - logk 66.8982 - -analytical -68.4307 -0.00968139 20906.7 27.514 325.733 -Na2SO4(Sol-3) - Na2O4S = 1 SO4-2 + 2 Na+ - logk -0.0439 - -analytical -214.407 -0.0737189 5228.49 88.4075 78.5437 -Na3H(SO4)2 - HNa3O8S2 = 1 H+ + 2 SO4-2 + 3 Na+ - logk -0.8143 -Kogarkoite - Na3FSO4 = 3 Na+ + 1 SO4-2 + 1 F- - logk -2.0247 - -analytical -346.388 -0.114175 8087.89 141.934 121.604 -Na4Ca(SO4)3:2H2O - CaH4Na4O14S3 = 1 Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+ - logk -5.6723 -Nahcolite - CHNaO3 = 1 HCO3- + 1 Na+ - logk -0.7061 - -analytical -126.649 -0.0375254 2376.99 52.1891 35.7544 -Natrite - Na2CO3 + 1 H+ = 2 Na+ + 1 HCO3- - logk 10.984 - -analytical -153.713 -0.0421446 6497.79 62.8199 99.786 -Natron - CH20Na2O13 + 1 H+ = 1 HCO3- + 2 Na+ + 10 H2O - logk 9.5145 -Natrolite - Al2H4Na2O12Si3 + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O - logk 17.9209 - -analytical -260.613 -0.0605425 17595.7 95.9672 269.131 -Nesquehonite - CH6MgO6 + 1 H+ = 1 HCO3- + 1 Mg+2 + 3 H2O - logk 4.9955 - -analytical -973.21 -0.199929 33093.3 374.694 527.872 -NH4Cl - NH4Cl = 1 NH4+ + 1 Cl- - logk 1.3355 - -analytical -110.674 -0.0397043 1904.08 47.4624 28.4331 -NH4ClO4 - NH4ClO4 = 1 NH4+ + 1 ClO4- - logk -0.1071 - -analytical -101.387 -0.0324767 1029.37 43.4417 14.9483 -NH4I - NH4I = 1 NH4+ + 1 I- - logk 3.4008 - -analytical -99.2224 -0.0362741 1799.99 43.3972 26.8649 -(NH4)2SO4 - N2H8SO4 = 2 NH4+ + 1 SO4-2 - logk 0.3081 - -analytical -212.438 -0.0759948 4570.8 88.9218 68.5163 -Niter - KNO3 = 1 K+ + 1 NO3- - logk -0.2344 - -analytical -76.0784 -0.0312641 -137.446 34.5969 -3.39538 -Nontronite-Mg - Al0.33Fe2H2Mg0.165O12Si3.67 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O - logk -11.1382 - -analytical -123.074 -0.0406227 5836.33 42.1746 84.9876 -Nontronite-Ca - Al0.33Ca0.165Fe2H2O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O - logk -11.1001 - -analytical -120.485 -0.0405049 5591.73 41.4613 81.1889 -Nontronite-K - Al0.33Fe2H2K0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O - logk -11.3831 - -analytical -112.234 -0.0385467 4822.37 38.8194 69.2107 -Nontronite-Na - Al0.33Fe2H2Na0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O - logk -11.0442 - -analytical -117.972 -0.0388729 5291.3 40.6788 76.4989 -Nontronite-H - Al0.33Fe2H2.33O12Si3.67 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O - logk -12.766 -Oxychloride-Mg - ClH11Mg2O7 + 3 H+ = 1 Cl- + 2 Mg+2 + 7 H2O - logk 26.0297 -Pentahydrite - MgSO9H10 = 1 Mg+2 + 1 SO4-2 + 5 H2O - logk -1.4274 - -analytical -342.214 -0.0987946 9568.38 136.637 146.138 -Pentasalt - K2Ca5S6O25H2 = 2 K+ + 5 Ca+2 + 6 SO4-2 + 1 H2O - logk -24.5549 - -analytical -3392.14 -0.920064 96302.2 1341.02 1516.11 -Periclase - MgO + 2 H+ = 1 H2O + 1 Mg+2 - logk 21.3354 - -analytical -88.4517 -0.0183922 10413.8 32.4644 161.938 -Phillipsite - Al3.6K0.7H25.2Na0.7O44.6Si12.4Ca1.1 + 14.4 H+ = 1.1 Ca+2 + 3.6 Al+3 + 0.7 K+ + 12.4 SiO2 + 19.8 H2O + 0.7 Na+ - logk -6.7617 - -analytical -231.538 -0.0535576 13553.9 78.7908 194.565 -Picromerite - H12K2MgO14S2 = 1 Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O - logk -4.3277 -Pirssonite - C2CaH4Na2O8 + 2 H+ = 1 Ca+2 + 2 H2O + 2 HCO3- + 2 Na+ - logk 11.4354 -Polyhalite - Ca2H4K2MgO18S4 = 1 Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2 - logk -13.7441 -Portlandite - CaH2O2 + 2 H+ = 1 Ca+2 + 2 H2O - logk 22.5444 - -analytical -73.2644 -0.016935 8931.3 28.6505 138.93 -Pyrolusite - MnO2 + 4 H+ + 2 e- = 1 Mn+2 + 2 H2O - logk 42.0291 - -analytical -106.219 -0.0206254 15716.4 41.09 245.066 -Pyrophyllite - Al2H2O12Si4 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2 - logk 0.0967 - -analytical -103.794 -0.0343486 8115.34 35.0785 120.666 -Quartz - O2Si = 1 SiO2 - logk -3.7501 - -analytical 37.4476 0.00715916 -2409.12 -14.2549 -38.712 -Ripidolite-7A - Al2Fe2H8Mg3O18Si3 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O - logk 62.5511 - -analytical -403.178 -0.110363 40665.9 146.332 626.677 -Ripidolite-14A - Al2Fe2H8Mg3O18Si3 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O - logk 59.1778 - -analytical -409.603 -0.110945 40146.1 148.341 618.583 -Saponite-H - Al0.33H2.33Mg3O12Si3.67 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O - logk 26.0453 - -analytical -102.844 -0.0289635 14319 36.122 217.242 -Saponite-Na - Al0.33H2Mg3Na0.33O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O - logk 27.0591 - -analytical -109.019 -0.0299953 14652.3 38.6992 222.363 -Saponite-K - Al0.33H2K0.33Mg3O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O - logk 26.7202 - -analytical -103.316 -0.0296781 14184 36.8544 215.084 -Saponite-Ca - Al0.33Ca0.165H2Mg3O12Si3.67 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O - logk 27.0032 - -analytical -111.543 -0.0316298 14953.5 39.4852 227.066 -Saponite-Mg - Al0.33H2Mg3.165O12Si3.67 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O - logk 26.9651 - -analytical -114.362 -0.0318084 15195.8 40.3021 230.828 -Scolecite - Al2CaH6O13Si3 + 8 H+ = 1 Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O - logk 15.2772 - -analytical -306.272 -0.0778402 19236.3 113.211 294.689 -Sellaite - F2Mg = 1 Mg+2 + 2 F- - logk -9.3939 - -analytical -272.983 -0.0864825 6936.96 107.523 105.155 -Sepiolite - H14Mg4O23Si6 + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O - logk 30.4439 - -analytical 645.753 0.123088 -12819.1 -246.225 -212.722 -Sepiolite(am) - H14Mg4O23Si6 + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O - logk 37.56 -Palygorskite - H18Mg2.84O30Si7.73Al1.8 + 11.08 H+ = 2.84 Mg+2 + 7.73 SiO2 + 14.54 H2O + 1.8 Al+3 - logk 26.4078 -SiO2(am) - O2Si = 1 SiO2 - logk -2.7136 - -analytical 119.521 0.0216204 -5003.03 -45.2365 -79.6958 -Smectite-high-Fe-Mg - Al1.25Na0.1O12Ca0.025Mg1.15Fe0.7Si3.5K0.2H2 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O - logk 17.4595 - -analytical -120.561 -0.040678 13637.1 42.1483 206.65 -Smectite-low-Fe-Mg - Al1.25Ca0.02Fe0.45H2K0.2Mg0.9Na0.15O12Si3.75 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O - logk 11.1541 - -analytical -67.7478 -0.0292278 9381.15 22.6458 140.224 -Soda_Niter - NaNO3 = 1 NO3- + 1 Na+ - logk 1.0915 - -analytical -50.0994 -0.0220762 -2.0548 23.3421 -0.0171532 -Strontianite - CO3Sr + 1 H+ = 1 HCO3- + 1 Sr+2 - logk -0.3137 - -analytical -135.757 -0.0448838 3572.56 55.2929 54.1777 -SrBr2 - SrBr2 = 1 Sr+2 + 2 Br- - logk 12.8191 - -analytical -196.207 -0.0751381 8035.5 82.6175 122.422 -SrCl2 - SrCl2 = 1 Sr+2 + 2 Cl- - logk 8.1397 - -analytical -209.915 -0.0784405 7357.76 87.5837 111.899 -SrF2 - SrF2 = 1 Sr+2 + 2 F- - logk -6.5188 - -analytical -243.668 -0.0825289 5654.34 98.1007 85.1706 -SrI2 - SrI2 = 1 Sr+2 + 2 I- - logk 19.2679 - -analytical -198.847 -0.076178 9586 84.3157 146.773 -SrMoO4 - SrMoO4 = 1 Sr+2 + 1 MoO4-2 - logk -6.4216 - -analytical -227.719 -0.0812871 4822.32 92.6735 72.3052 -SrO - SrO + 2 H+ = 1 Sr+2 + 1 H2O - logk 41.9787 - -analytical -62.5567 -0.01527 14576.8 24.323 226.907 -Sr(OH)2 - SrO2H2 + 2 H+ = 1 Sr+2 + 2 H2O - logk 27.5229 - -analytical -87.6211 -0.018271 10820.7 34.0634 168.305 -Stellerite - Al4Ca2H28O50Si14 + 16 H+ = 2 Ca+2 + 4 Al+3 + 22 H2O + 14 SiO2 - logk -8.7844 - -analytical -271.187 -0.0664942 16345.6 91.7545 235.931 -Stilbite - Al2.18Ca1.019H14.66K0.006Na0.136O25.33Si6.82 + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O - logk 1.3118 - -analytical -212.595 -0.0562391 12015.4 76.8614 177.716 -Sylvite - ClK = 1 Cl- + 1 K+ - logk 0.9148 - -analytical -48.8224 -0.02655 -209.296 23.579 -4.24164 -Syngenite - CaH2K2O9S2 = 1 Ca+2 + 1 H2O + 2 K+ + 2 SO4-2 - logk -7.2618 - -analytical -854.406 -0.2438 22047.4 341.811 349.474 -Tachyhydrite - CaCl6H24Mg2O12 = 1 Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O - logk 17.3839 -Talc - H2Mg3O12Si4 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2 - logk 22.1646 - -analytical -121.962 -0.0258707 13192.9 43.4337 199.721 -Thenardite - Na2O4S = 1 SO4-2 + 2 Na+ - logk -0.2547 - -analytical -216.072 -0.0708355 5537.18 88.2498 90.2371 -Thermonatrite - CH2Na2O4 + 1 H+ = 1 H2O + 1 HCO3- + 2 Na+ - logk 10.7669 -Trona - C2H5Na3O8 + 1 H+ = 2 H2O + 2 HCO3- + 3 Na+ - logk 9.2948 -Trona-K - C2H5K2NaO8 + 1 H+ = 1 Na+ + 2 H2O + 2 HCO3- + 2 K+ - logk 11.5757 -Villiaumite - NaF = 1 Na+ + 1 F- - logk -0.2538 - -analytical -123.927 -0.0381649 3160.69 50.2853 47.8165 -Whitlockite - Ca3O8P2 + 2 H+ = 2 HPO4-2 + 3 Ca+2 - logk -4.2249 -Brucite - H2MgO2 + 2 H+ = 1 Mg+2 + 2 H2O - logk 17.1 -Chromium - Cr = 1 Cr+3 + 3 e- - logk 36.1367 -Eskolaite - Cr2O3 + 6 H+ = 3 H2O + 2 Cr+3 - logk 8.52 -Cr(OH)3(am) - CrO3H3 + 3 H+ = 1 Cr+3 + 3 H2O - logk 9.35 -CrCl3:6H2O - CrCl3O6H12 = 1 Cr+3 + 3 Cl- + 6 H2O - logk 5.906 -CrF3 - CrF3 = 1 Cr+3 + 3 F- - logk -9.0957 - -analytical -403.567 -0.131794 13130.8 157.472 200.362 -KFe3(CrO4)2(OH)6 - Cr2O14H6KFe3 + 6 H+ = 2 CrO4-2 + 1 K+ + 3 Fe+3 + 6 H2O - logk -18.4 -Na2CrO4:4H2O - CrNa2O8H8 = 1 CrO4-2 + 2 Na+ + 4 H2O - logk 1.01 -Tarapacaite - CrK2O4 = 1 CrO4-2 + 2 K+ - logk 0.0408 -Lopezite - Cr2K2O7 + 1 H2O = 2 CrO4-2 + 2 K+ + 2 H+ - logk -16.066 -CrO3 - CrO3 + 1 H2O = 1 CrO4-2 + 2 H+ - logk -3.2201 - -analytical -128.362 -0.062213 2041.66 55.2881 29.3875 -CuCr2O4 - Cr2CuO4 + 8 H+ = 1 Cu+2 + 2 Cr+3 + 4 H2O - logk 20.14 -Copper - Cu = 1 Cu+2 + 2 e- - logk -11.4902 - -analytical -70.1074 -0.0181655 295.75 25.4734 3.79609 -CuCl2:2H2O - Cl2H4CuO2 = 1 Cu+2 + 2 Cl- + 2 H2O - logk 1.9413 -CuSO4:5H2O - SH10CuO9 = 1 Cu+2 + 1 SO4-2 + 5 H2O - logk -2.646 -CuSO4.Na2SO4:2H2O - S2H4CuO10Na2 = 1 Cu+2 + 2 SO4-2 + 2 H2O + 2 Na+ - logk -3.917 -CuSO4.K2SO4:6H2O - S2H12CuO14K2 = 1 Cu+2 + 2 SO4-2 + 6 H2O + 2 K+ - logk -5.759 -Cu3(PO4)2 - Cu3O8P2 + 2 H+ = 2 HPO4-2 + 3 Cu+2 - logk -12.2247 -Iron - Fe = 1 Fe+2 + 2 e- - logk 16.0308 - -analytical -61.4832 -0.0180471 8161.48 22.4334 126.503 -Fe(OH)2 - FeH2O2 + 2 H+ = 1 Fe+2 + 2 H2O - logk 13.8214 - -analytical -93.2809 -0.0196505 7765.12 35.1221 120.7 -Fe(OH)3 - FeH3O3 + 3 H+ = 1 Fe+3 + 3 H2O - logk 4.1 -Siderite - CFeO3 + 1 H+ = 1 Fe+2 + 1 HCO3- - logk -0.192 - -analytical -159.192 -0.0491676 5475.43 62.7493 83.8344 -FeF2 - F2Fe = 1 Fe+2 + 2 F- - logk -1.432 - -analytical -258.724 -0.0847399 8751.77 102.309 133.523 -FeO - FeO + 2 H+ = 1 Fe+2 + 1 H2O - logk 13.5318 - -analytical -77.9861 -0.0180652 7664.02 28.7697 119.069 -FeSO4 - FeO4S = 1 Fe+2 + 1 SO4-2 - logk 1.9396 - -analytical -218.679 -0.0801956 8107.57 87.8133 123.432 -Melanterite - FeO11SH14 = 1 Fe+2 + 1 SO4-2 + 7 H2O - logk -2.209 -Ferrite-Ca - CaFe2O4 + 8 H+ = 1 Ca+2 + 2 Fe+3 + 4 H2O - logk 21.5945 - -analytical -335.289 -0.0794065 22744.2 122.952 352.968 -Ferrite-Cu - CuFe2O4 + 8 H+ = 1 Cu+2 + 2 Fe+3 + 4 H2O - logk 9.5266 - -analytical -363.028 -0.0834245 20712.7 132.523 321.231 -Ferrite-Dicalcium - Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O - logk 56.8114 - -analytical -412.555 -0.0984499 35896.9 152.873 557.792 -Ferrite-Mg - Fe2MgO4 + 8 H+ = 1 Mg+2 + 2 Fe+3 + 4 H2O - logk 20.9808 - -analytical -356.219 -0.0809191 24193.9 129.379 375.5 -Ferrite-Ni - NiFe2O4 + 8 H+ = 1 Ni+2 + 2 Fe+3 + 4 H2O - logk 9.7959 - -analytical -347.865 -0.083186 20253.9 127.096 313.981 -Ferrite-Zn - Fe2O4Zn + 8 H+ = 1 Zn+2 + 2 Fe+3 + 4 H2O - logk 11.7342 -Hausmannite - Mn3O4 + 8 H+ = 1 Mn+2 + 2 Mn+3 + 4 H2O - logk 11.6746 - -analytical -335.335 -0.0797562 21018.2 121.342 325.932 -Hydrozincite - C2H6O12Zn5 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O - logk 30.3076 -Lawrencite - Cl2Fe = 1 Fe+2 + 2 Cl- - logk 9.0646 - -analytical -225.762 -0.0814275 9178.47 92.2536 140.307 -Cobalt - Co = 1 Co+2 + 2 e- - logk 9.5288 -Co(OH)2 - CoH2O2 + 2 H+ = 1 Co+2 + 2 H2O - logk 13.0671 - -analytical -88.2631 -0.0186574 7545.06 32.9678 117.225 -Co2SiO4 - Co2O4Si + 4 H+ = 1 SiO2 + 2 Co+2 + 2 H2O - logk 6.6808 -Co3(PO4)2 - Co3O8P2 + 2 H+ = 2 HPO4-2 + 3 Co+2 - logk -10.0123 -CoCl2 - Cl2Co = 1 Co+2 + 2 Cl- - logk 8.2904 - -analytical -221.121 -0.0801568 8799.84 90.4252 134.445 -CoCl2:2H2O - Cl2CoH4O2 = 1 Co+2 + 2 Cl- + 2 H2O - logk 4.6661 -CoCl2:6H2O - Cl2CoH12O6 = 1 Co+2 + 2 Cl- + 6 H2O - logk 2.6033 -CoCr2O4 - Cr2CoO4 + 8 H+ = 1 Co+2 + 2 Cr+3 + 4 H2O - logk 15.0442 - -analytical -345.313 -0.0828394 22711.8 124.812 352.337 -CoF2 - CoF2 = 1 Co+2 + 2 F- - logk -1.5187 - -analytical -261.172 -0.0855105 8814.7 103.271 134.511 -CoFe2O4 - CoFe2O4 + 8 H+ = 1 Co+2 + 2 Fe+3 + 4 H2O - logk 10.0104 - -analytical -359.482 -0.0847019 20752.4 131.385 321.806 -CoHPO4 - CoHO4P = 1 Co+2 + 1 HPO4-2 - logk -6.7223 -CoO - CoO + 2 H+ = 1 Co+2 + 1 H2O - logk 13.5557 - -analytical -77.6767 -0.0182812 7635.76 28.7184 118.603 -CoSO4:3Co(OH)2 - Co4H6O10S + 6 H+ = 1 SO4-2 + 4 Co+2 + 6 H2O - logk 33.2193 -CoSO4:6H2O - CoH12O10S = 1 Co+2 + 1 SO4-2 + 6 H2O - logk -2.3512 -Bieberite - CoH14O11S = 1 Co+2 + 1 SO4-2 + 7 H2O - logk -2.5051 -Malachite - CCu2H2O5 + 3 H+ = 1 HCO3- + 2 Cu+2 + 2 H2O - logk 5.9399 - -analytical -271.871 -0.0694553 11450.8 105.106 176.606 -Mg2(OH)3Cl:4H2O - H11Mg2O7Cl + 3 H+ = 2 Mg+2 + 7 H2O + 1 Cl- - logk 26 -Manganite - HMnO2 + 3 H+ = 1 Mn+3 + 2 H2O - logk 0.3485 -Manganosite - MnO + 2 H+ = 1 H2O + 1 Mn+2 - logk 18.3638 - -analytical -83.7781 -0.0184898 8817.86 31.5504 137.094 -Manganese - Mn = 1 Mn+2 + 2 e- - logk 40.3883 -Mn(OH)2(am) - H2MnO2 + 2 H+ = 1 Mn+2 + 2 H2O - logk 15.75 -Rhodochrosite - CMnO3 + 1 H+ = 1 HCO3- + 1 Mn+2 - logk 0.247 - -analytical -161.587 -0.0493345 5131.9 64.3811 78.5244 -MnCl2:4H2O - Cl2H8MnO4 = 1 Mn+2 + 2 Cl- + 4 H2O - logk 3.1961 -MnSO4 - MnO4S = 1 Mn+2 + 1 SO4-2 - logk 3.1105 - -analytical -230.662 -0.082732 8210.74 93.2946 125.022 -Molybdite - MoO3 + 1 H2O = 1 MoO4-2 + 2 H+ - logk -12.055 -Powellite - CaMoO4 = 1 Ca+2 + 1 MoO4-2 - logk -7.93 -MoO2Cl2 - Cl2O2Mo + 2 H2O = 2 Cl- + 1 MoO4-2 + 4 H+ - logk 0.5936 - -analytical -306.755 -0.128496 7342.49 129.712 109.773 -Sodium - Na = 1 Na+ + 1 e- - logk 45.8795 -Nickel - Ni = 1 Ni+2 + 2 e- - logk 7.9895 - -analytical -57.7146 -0.0180043 5937.78 20.6696 91.7918 -NiCO3 - CNiO3 + 1 H+ = 1 HCO3- + 1 Ni+2 - logk -0.8712 -NiCl2:4H2O - Cl2H8NiO4 = 1 Ni+2 + 2 Cl- + 4 H2O - logk 3.8561 -Nickelbischofite - Cl2H12NiO6 = 1 Ni+2 + 2 Cl- + 6 H2O - logk 3.062 -NiMoO4 - NiMoO4 = 1 Ni+2 + 1 MoO4-2 - logk -6.5033 - -analytical -241.401 -0.084022 6381.84 96.3854 96.6458 -Ni(OH)2 - H2NiO2 + 2 H+ = 1 Ni+2 + 2 H2O - logk 10.52 -Ni2P2O7 - Ni2O7P2 + 1 H2O = 2 HPO4-2 + 2 Ni+2 - logk -8.8991 -Ni3(PO4)2 - Ni3O8P2 + 2 H+ = 2 HPO4-2 + 3 Ni+2 - logk -6.6414 -Ni4CrO4(OH)6 - Ni4CrO10H6 + 6 H+ = 4 Ni+2 + 1 CrO4-2 + 6 H2O - logk 32.9 -NiSO4:7H2O - H14NiO11S = 1 Ni+2 + 1 SO4-2 + 7 H2O - logk -2.206 -NiCr2O4 - Cr2NiO4 + 8 H+ = 1 Ni+2 + 2 Cr+3 + 4 H2O - logk 23.6681 - -analytical -343.761 -0.0827847 25464.9 123.931 395.282 -NiF2:4H2O - F2H8NiO4 = 1 Ni+2 + 2 F- + 4 H2O - logk -4.0588 -CsClO4 - CsO4Cl = 1 Cs+ + 1 ClO4- - logk -2.406 -Witherite - BaCO3 + 1 H+ = 1 Ba+2 + 1 HCO3- - logk 1.7639 - -analytical -124.02 -0.0440044 3379.13 51.546 51.2183 -Zinc - Zn = 1 Zn+2 + 2 e- - logk 25.8015 -Zincite - OZn + 2 H+ = 1 H2O + 1 Zn+2 - logk 11.2089 - -analytical -84.4401 -0.0180238 7084.24 31.22 110.014 -Zn(BO2)2 - B2O4Zn + 2 H+ + 2 H2O = 1 Zn+2 + 2 B(OH)3 - logk 8.313 -Zn(ClO4)2:6H2O - Cl2H12O14Zn = 1 Zn+2 + 2 ClO4- + 6 H2O - logk 5.6474 -Zn(NO3)2:6H2O - H12N2O12Zn = 1 Zn+2 + 2 NO3- + 6 H2O - logk 3.4102 -Zn(OH)2(beta) - H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O - logk 11.9341 -Zn(OH)2(epsilon) - H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O - logk 11.6625 -Zn(OH)2(gamma) - H2O2Zn + 2 H+ = 1 Zn+2 + 2 H2O - logk 11.8832 -Zn2(OH)3Cl - ClH3O3Zn2 + 3 H+ = 1 Cl- + 2 Zn+2 + 3 H2O - logk 15.2921 -Zn2SO4(OH)2 - H2O6SZn2 + 2 H+ = 1 SO4-2 + 2 H2O + 2 Zn+2 - logk 7.5816 -Zn3O(SO4)2 - O9S2Zn3 + 2 H+ = 1 H2O + 2 SO4-2 + 3 Zn+2 - logk 19.1188 -Zn5(NO3)2(OH)8 - H8N2O14Zn5 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O - logk 42.6674 -ZnBr2:2H2O - Br2H4O2Zn = 1 Zn+2 + 2 Br- + 2 H2O - logk 5.2999 -ZnCO3:H2O - CH2O4Zn + 1 H+ = 1 H2O + 1 HCO3- + 1 Zn+2 - logk 0.1398 -ZnCl2 - Cl2Zn = 1 Zn+2 + 2 Cl- - logk 7.088 -ZnCl2(NH3)2 - Cl2H6N2Zn + 2 H+ = 1 Zn+2 + 2 Cl- + 2 NH4+ - logk 11.4864 -ZnCl2(NH3)4 - Cl2H12N4Zn + 4 H+ = 1 Zn+2 + 2 Cl- + 4 NH4+ - logk 30.2685 -ZnCl2(NH3)6 - Cl2H18N6Zn + 6 H+ = 1 Zn+2 + 2 Cl- + 6 NH4+ - logk 50.7149 -ZnCr2O4 - Cr2O4Zn + 8 H+ = 1 Zn+2 + 2 Cr+3 + 4 H2O - logk 11.8387 -ZnF2 - F2Zn = 1 Zn+2 + 2 F- - logk -0.4418 - -analytical -260.92 -0.0839315 9068.36 103.07 138.426 -ZnSO4:6H2O - H12O10SZn = 1 SO4-2 + 1 Zn+2 + 6 H2O - logk -1.6846 -ZnSO4:7H2O - H14O11SZn = 1 SO4-2 + 1 Zn+2 + 7 H2O - logk -1.8683 -ZnSO4:H2O - H2O5SZn = 1 H2O + 1 SO4-2 + 1 Zn+2 - logk -0.5383 -CH4(g) - CH4 + 3 H2O = 9 H+ + 1 HCO3- + 8 e- - logk -30.7169 - -analytical -34.1957 -0.0297767 -5519.41 12.4685 -88.4722 -CO2(g) - CO2 + 1 H2O = 1 H+ + 1 HCO3- -# logk -7.8136 - logk -7.8136 - -analytical -85.9871 -0.0304437 2071.68 32.4462 31.2334 -H2(g) - H2 = 2 e- + 2 H+ - logk -0.0001 - -analytical 5.02511 0.000229386 1524.1 -4.12472 23.4667 -H2O(g) - H2O = 1 H2O - logk 1.4999 - -analytical -21.8582 -0.000298333 2978.01 5.43886 46.4689 -HBr(g) - BrH = 1 Br- + 1 H+ - logk 8.866 - -analytical -81.3888 -0.0299616 5950.24 32.0121 91.6273 -HCl(g) - HCl = 1 H+ + 1 Cl- - logk 6.3064 - -analytical -87.702 -0.0314755 5564.12 34.2351 85.6274 -HF(g) - HF = 1 H+ + 1 F- - logk 1.2448 - -analytical -103.571 -0.0334319 5391.71 39.0716 82.8597 -HNO3(g) - HNO3 = 1 H+ + 1 NO3- - logk 6.4719 - -analytical -81.6735 -0.0271648 5470.01 31.4743 84.2668 -N2O5(g) - N2O5 + 1 H2O = 2 H+ + 2 NO3- - logk 17.9824 - -analytical -129.582 -0.0529138 9484.49 53.1421 145.821 -NO3(g) - NO3 + 1 e- = 1 NO3- - logk 39.7629 - -analytical -73.6811 -0.0274276 14838.8 29.0302 230.591 -O2(g) - O2 + 4 e- + 4 H+ = 2 H2O - logk 83.1056 - -analytical -48.8642 -0.000578392 27769.6 15.7603 433.903 -## Added by EK / Florian -Chlorite - Mg2.5Fe2.5Al2Si3O10(OH)8 + 16H+ = 3SiO2 + 2.5Fe+2 + 2.5Mg+2 + 12H2O + 2Al+3 - log_k 50.0560 - - -RATES # rates data block defines mathematical expressions for the rates of kinetic reactions - -Albite # linear regression - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Albite")<0)) then goto 200 - 30 R=8.314462 # in J*K-1*mol-1 - 40 deltaT=1/TK-1/298.15 # wird für 35°C berechnet; TK is temp in Kelvin - 50 e=2.718282 # Eulersche Zahl - ## mechanism 1 (acid) - 60 Ea=65000 # Aktivierungsenergie in J/mol => 65.0 in KJ/mol - 70 logK25=-9.87 # Reaktionskonstante für Kfs bei 25°C, pH=0, in mol/m2*s1 - 80 ny=0.457 # Reaktionsordnung - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny ## (10^logK25)*(e^(-Ea/R*deltaT)) computes K for T=35°C; ACT=activity - ## mechanism 2 (base) - 100 Ea=71000 - 110 logK25=-16.98 - 120 ny=-0.572 - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## base term (neutral mechanism) - 140 Ea=69800 - 150 logK25=-12.04 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("Albite")<0 then moles=parm(1)*M*rate*(1-SR("Albite")) # dissolution - 190 IF SI("Albite")>0 then moles=parm(2)*rate*(1-SR("Albite")) # precipitation - 200 save moles*time - -end - - -Anhydrite # only data for neutral mechanism available in Palandri and Kharaka 2004 - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Anhydrite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # base term (neutral mechanism) - 140 Ea=14.300 - 150 logK25=-3.19 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_c - 180 IF SI("Anhydrite")<0 then moles=parm(1)*M*rate*(1-SR("Anhydrite")) - 190 IF SI("Anhydrite")>0 then moles=parm(2)*rate*(1-SR("Anhydrite")) - 200 save moles*time - -end - -Chlorite # added by Florian Stroscher (FS), Clinochlore 14 Å. - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Chlorite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=88000 - 70 logK25=-11.11 - 80 ny=0.500 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # base term (neutral mechanism) - 140 Ea=88000 - 150 logK25=-12.52 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_c - 180 IF SI("Chlorite")<0 then moles=parm(1)*M*rate*(1-SR("Chlorite")) - 190 IF SI("Chlorite")>0 then moles=parm(2)*rate*(1-SR("Chlorite")) - 200 save moles*time - -end - -Calcite - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Calcite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=14400 - 70 logK25=-0.30 - 80 ny=1 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # mechanism 2 (base) - 100 Ea=35400 - 110 logK25=-3.48 - 120 ny=1 - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # base term (neutral mechanism) - 140 Ea=23500 - 150 logK25=-5.81 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("Calcite")<0 then moles=parm(1)*M*rate*(1-SR("Calcite")) - 190 IF SI("Calcite")>0 then moles=parm(2)*rate*(1-SR("Calcite")) - 200 save moles*time - -end - -Hematite # added by FS - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Hematite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=66200 - 70 logK25=-9.39 - 80 ny=1.000 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # base term (neutral mechanism) - 140 Ea=66200 - 150 logK25=-14.60 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_c - 180 IF SI("Hematite")<0 then moles=parm(1)*M*rate*(1-SR("Hematite")) - 190 IF SI("Hematite")>0 then moles=parm(2)*rate*(1-SR("Hematite")) - 200 save moles*time - -end - -Illite # no data; instead smectite data taken - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Illite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=23600 - 70 logK25=-10.98 - 80 ny=0.340 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## mechanism 2 (base) - 100 Ea=58900 - 110 logK25=-16.52 - 120 ny=-0.400 - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## base term (neutral mechanism) - 140 Ea=35000 - 150 logK25=-12.78 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("Illite")<0 then moles=parm(1)*M*rate*(1-SR("Illite")) - 190 IF SI("Illite")>0 then moles=parm(2)*rate*(1-SR("Illite")) - 200 save moles*time - -end - -K-Feldspar # (doesnt show up? - we have to take a closer look) - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("K-Feldspar")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - ## mechanism 1 (acid) - 60 Ea=51700 - 70 logK25=-10.06 - 80 ny=0.500 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## mechanism 2 (base) - 100 Ea=94100 - 110 logK25=-21.20 - 120 ny=-0.823 - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## base term (neutral mechanism) - 140 Ea=38000 - 150 logK25=-12.41 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("K-Feldspar")<0 then moles=parm(1)*M*rate*(1-SR("K-Feldspar")) - 190 IF SI("K-Feldspar")>0 then moles=parm(2)*rate*(1-SR("K-Feldspar")) - 200 save moles*time - -end - -Kaolinite # added by FS - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Kaolinite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=65900 - 70 logK25=-11.31 - 80 ny=0.777 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## mechanism 2 (base) - 100 Ea=17900 - 110 logK25=-17.05 - 120 ny=-0.472 - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # base term (neutral mechanism) - 140 Ea=22200 - 150 logK25=-13.18 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("Kaolinite")<0 then moles=parm(1)*M*rate*(1-SR("Kaolinite")) - 190 IF SI("Kaolinite")>0 then moles=parm(2)*rate*(1-SR("Kaolinite")) - 200 save moles*time - -end - -Nesquehonite # added by FS - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Nesquehonite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=14400 - 70 logK25=-6.38 - 80 ny=1.000 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - ## mechanism 2 (Carbonate Mechanism) - 100 Ea=62800 - 110 logK25=-3.48 - 120 ny=1.000 - 125 PCO2 = 10^SI("CO2(g)") - 130 mech_b=(10^logK25)*(e^(-Ea/R*deltaT))*PCO2^ny - # base term (neutral mechanism) - 140 Ea=23500 - 150 logK25=-9.34 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_b+mech_c - 180 IF SI("Nesquehonite")<0 then moles=parm(1)*M*rate*(1-SR("Nesquehonite")) - 190 IF SI("Nesquehonite")>0 then moles=parm(2)*rate*(1-SR("Nesquehonite")) - 200 save moles*time - -end - -Siderite # added by FS, aus "Klein-2013.pdf" (Folder: "Kinetic_Ketzin_ex3"!!! - -start - 10 moles=0 - 20 IF ((m<=0) and (SI("Siderite")<0)) then goto 200 - 30 R=8.314462 - 40 deltaT=1/TK-1/298.15 - 50 e=2.718282 - # mechanism 1 (acid) - 60 Ea=48000 - 70 logK25=-3.747 - 80 ny=0.75 - 90 mech_a=(10^logK25)*(e^(-Ea/R*deltaT))*ACT("H+")^ny - # base term (neutral mechanism) - 140 Ea=62760 - 150 logK25=-8.9 - 160 mech_c=(10^logK25)*(e^(-Ea/R*deltaT)) - 170 rate=mech_a+mech_c - 180 IF SI("Siderite")<0 then moles=parm(1)*M*rate*(1-SR("Siderite")) - 190 IF SI("Siderite")>0 then moles=parm(2)*rate*(1-SR("Siderite")) - 200 save moles*time - -end - -END - diff --git a/docs/Doxyfile.in b/docs/Doxyfile.in deleted file mode 100644 index 2d21ebad3..000000000 --- a/docs/Doxyfile.in +++ /dev/null @@ -1,2633 +0,0 @@ -# Doxyfile 1.9.1 - -# This file describes the settings to be used by the documentation system -# doxygen (www.doxygen.org) for a project. -# -# All text after a double hash (##) is considered a comment and is placed in -# front of the TAG it is preceding. -# -# All text after a single hash (#) is considered a comment and will be ignored. -# The format is: -# TAG = value [value, ...] -# For lists, items can also be appended using: -# TAG += value [value, ...] -# Values that contain spaces should be placed between quotes (\" \"). - -############################################################################### -#########################GENERATED BY 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See also FILE_PATTERNS and EXTENSION_MAPPING -# Note: If this tag is empty the current directory is searched. - -INPUT = @SRC_CODE_DIR@ \ - @PROJECT_SOURCE_DIR@/./README.md \ - @CMAKE_CURRENT_SOURCE_DIR@/./Output.md - -# If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that -# is part of the input, its contents will be placed on the main page -# (index.html). This can be useful if you have a project on for instance GitHub -# and want to reuse the introduction page also for the doxygen output. - -USE_MDFILE_AS_MAINPAGE = @PROJECT_SOURCE_DIR@/./README.md - -# The EXCLUDE tag can be used to specify files and/or directories that should be -# excluded from the INPUT source files. 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The tag can be used to show relative paths in the file list. -# If left blank the directory from which doxygen is run is used as the path to -# strip. -# -# Note that you can specify absolute paths here, but also relative paths, which -# will be relative from the directory where doxygen is started. -# This tag requires that the tag FULL_PATH_NAMES is set to YES. - -STRIP_FROM_PATH = - -# The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of the -# path mentioned in the documentation of a class, which tells the reader which -# header file to include in order to use a class. If left blank only the name of -# the header file containing the class definition is used. Otherwise one should -# specify the list of include paths that are normally passed to the compiler -# using the -I flag. - -STRIP_FROM_INC_PATH = - -# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter (but -# less readable) file names. This can be useful is your file systems doesn't -# support long names like on DOS, Mac, or CD-ROM. -# The default value is: NO. - -SHORT_NAMES = NO - -# If the JAVADOC_AUTOBRIEF tag is set to YES then doxygen will interpret the -# first line (until the first dot) of a Javadoc-style comment as the brief -# description. If set to NO, the Javadoc-style will behave just like regular Qt- -# style comments (thus requiring an explicit @brief command for a brief -# description.) -# The default value is: NO. - -JAVADOC_AUTOBRIEF = NO - -# If the JAVADOC_BANNER tag is set to YES then doxygen will interpret a line -# such as -# /*************** -# as being the beginning of a Javadoc-style comment "banner". If set to NO, the -# Javadoc-style will behave just like regular comments and it will not be -# interpreted by doxygen. -# The default value is: NO. - -JAVADOC_BANNER = NO - -# If the QT_AUTOBRIEF tag is set to YES then doxygen will interpret the first -# line (until the first dot) of a Qt-style comment as the brief description. If -# set to NO, the Qt-style will behave just like regular Qt-style comments (thus -# requiring an explicit \brief command for a brief description.) -# The default value is: NO. - -QT_AUTOBRIEF = NO - -# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make doxygen treat a -# multi-line C++ special comment block (i.e. a block of //! or /// comments) as -# a brief description. This used to be the default behavior. The new default is -# to treat a multi-line C++ comment block as a detailed description. Set this -# tag to YES if you prefer the old behavior instead. -# -# Note that setting this tag to YES also means that rational rose comments are -# not recognized any more. -# The default value is: NO. - -MULTILINE_CPP_IS_BRIEF = NO - -# By default Python docstrings are displayed as preformatted text and doxygen's -# special commands cannot be used. By setting PYTHON_DOCSTRING to NO the -# doxygen's special commands can be used and the contents of the docstring -# documentation blocks is shown as doxygen documentation. -# The default value is: YES. - -PYTHON_DOCSTRING = YES - -# If the INHERIT_DOCS tag is set to YES then an undocumented member inherits the -# documentation from any documented member that it re-implements. -# The default value is: YES. - -INHERIT_DOCS = YES - -# If the SEPARATE_MEMBER_PAGES tag is set to YES then doxygen will produce a new -# page for each member. If set to NO, the documentation of a member will be part -# of the file/class/namespace that contains it. -# The default value is: NO. - -SEPARATE_MEMBER_PAGES = NO - -# The TAB_SIZE tag can be used to set the number of spaces in a tab. Doxygen -# uses this value to replace tabs by spaces in code fragments. -# Minimum value: 1, maximum value: 16, default value: 4. - -TAB_SIZE = 4 - -# This tag can be used to specify a number of aliases that act as commands in -# the documentation. An alias has the form: -# name=value -# For example adding -# "sideeffect=@par Side Effects:\n" -# will allow you to put the command \sideeffect (or @sideeffect) in the -# documentation, which will result in a user-defined paragraph with heading -# "Side Effects:". You can put \n's in the value part of an alias to insert -# newlines (in the resulting output). You can put ^^ in the value part of an -# alias to insert a newline as if a physical newline was in the original file. -# When you need a literal { or } or , in the value part of an alias you have to -# escape them by means of a backslash (\), this can lead to conflicts with the -# commands \{ and \} for these it is advised to use the version @{ and @} or use -# a double escape (\\{ and \\}) - -ALIASES = - -# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources -# only. Doxygen will then generate output that is more tailored for C. For -# instance, some of the names that are used will be different. The list of all -# members will be omitted, etc. -# The default value is: NO. - -OPTIMIZE_OUTPUT_FOR_C = NO - -# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or -# Python sources only. Doxygen will then generate output that is more tailored -# for that language. For instance, namespaces will be presented as packages, -# qualified scopes will look different, etc. -# The default value is: NO. - -OPTIMIZE_OUTPUT_JAVA = NO - -# Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran -# sources. Doxygen will then generate output that is tailored for Fortran. -# The default value is: NO. - -OPTIMIZE_FOR_FORTRAN = NO - -# Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL -# sources. Doxygen will then generate output that is tailored for VHDL. -# The default value is: NO. - -OPTIMIZE_OUTPUT_VHDL = NO - -# Set the OPTIMIZE_OUTPUT_SLICE tag to YES if your project consists of Slice -# sources only. Doxygen will then generate output that is more tailored for that -# language. For instance, namespaces will be presented as modules, types will be -# separated into more groups, etc. -# The default value is: NO. - -OPTIMIZE_OUTPUT_SLICE = NO - -# Doxygen selects the parser to use depending on the extension of the files it -# parses. With this tag you can assign which parser to use for a given -# extension. Doxygen has a built-in mapping, but you can override or extend it -# using this tag. The format is ext=language, where ext is a file extension, and -# language is one of the parsers supported by doxygen: IDL, Java, JavaScript, -# Csharp (C#), C, C++, D, PHP, md (Markdown), Objective-C, Python, Slice, VHDL, -# Fortran (fixed format Fortran: FortranFixed, free formatted Fortran: -# FortranFree, unknown formatted Fortran: Fortran. In the later case the parser -# tries to guess whether the code is fixed or free formatted code, this is the -# default for Fortran type files). For instance to make doxygen treat .inc files -# as Fortran files (default is PHP), and .f files as C (default is Fortran), -# use: inc=Fortran f=C. -# -# Note: For files without extension you can use no_extension as a placeholder. -# -# Note that for custom extensions you also need to set FILE_PATTERNS otherwise -# the files are not read by doxygen. When specifying no_extension you should add -# * to the FILE_PATTERNS. -# -# Note see also the list of default file extension mappings. - -EXTENSION_MAPPING = - -# If the MARKDOWN_SUPPORT tag is enabled then doxygen pre-processes all comments -# according to the Markdown format, which allows for more readable -# documentation. See https://daringfireball.net/projects/markdown/ for details. -# The output of markdown processing is further processed by doxygen, so you can -# mix doxygen, HTML, and XML commands with Markdown formatting. Disable only in -# case of backward compatibilities issues. -# The default value is: YES. - -MARKDOWN_SUPPORT = YES - -# When the TOC_INCLUDE_HEADINGS tag is set to a non-zero value, all headings up -# to that level are automatically included in the table of contents, even if -# they do not have an id attribute. -# Note: This feature currently applies only to Markdown headings. -# Minimum value: 0, maximum value: 99, default value: 5. -# This tag requires that the tag MARKDOWN_SUPPORT is set to YES. - -TOC_INCLUDE_HEADINGS = 5 - -# When enabled doxygen tries to link words that correspond to documented -# classes, or namespaces to their corresponding documentation. Such a link can -# be prevented in individual cases by putting a % sign in front of the word or -# globally by setting AUTOLINK_SUPPORT to NO. -# The default value is: YES. - -AUTOLINK_SUPPORT = YES - -# If you use STL classes (i.e. std::string, std::vector, etc.) but do not want -# to include (a tag file for) the STL sources as input, then you should set this -# tag to YES in order to let doxygen match functions declarations and -# definitions whose arguments contain STL classes (e.g. func(std::string); -# versus func(std::string) {}). This also make the inheritance and collaboration -# diagrams that involve STL classes more complete and accurate. -# The default value is: NO. - -BUILTIN_STL_SUPPORT = NO - -# If you use Microsoft's C++/CLI language, you should set this option to YES to -# enable parsing support. -# The default value is: NO. - -CPP_CLI_SUPPORT = NO - -# Set the SIP_SUPPORT tag to YES if your project consists of sip (see: -# https://www.riverbankcomputing.com/software/sip/intro) sources only. Doxygen -# will parse them like normal C++ but will assume all classes use public instead -# of private inheritance when no explicit protection keyword is present. -# The default value is: NO. - -SIP_SUPPORT = NO - -# For Microsoft's IDL there are propget and propput attributes to indicate -# getter and setter methods for a property. Setting this option to YES will make -# doxygen to replace the get and set methods by a property in the documentation. -# This will only work if the methods are indeed getting or setting a simple -# type. If this is not the case, or you want to show the methods anyway, you -# should set this option to NO. -# The default value is: YES. - -IDL_PROPERTY_SUPPORT = YES - -# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC -# tag is set to YES then doxygen will reuse the documentation of the first -# member in the group (if any) for the other members of the group. By default -# all members of a group must be documented explicitly. -# The default value is: NO. - -DISTRIBUTE_GROUP_DOC = NO - -# If one adds a struct or class to a group and this option is enabled, then also -# any nested class or struct is added to the same group. By default this option -# is disabled and one has to add nested compounds explicitly via \ingroup. -# The default value is: NO. - -GROUP_NESTED_COMPOUNDS = NO - -# Set the SUBGROUPING tag to YES to allow class member groups of the same type -# (for instance a group of public functions) to be put as a subgroup of that -# type (e.g. under the Public Functions section). Set it to NO to prevent -# subgrouping. Alternatively, this can be done per class using the -# \nosubgrouping command. -# The default value is: YES. - -SUBGROUPING = YES - -# When the INLINE_GROUPED_CLASSES tag is set to YES, classes, structs and unions -# are shown inside the group in which they are included (e.g. using \ingroup) -# instead of on a separate page (for HTML and Man pages) or section (for LaTeX -# and RTF). -# -# Note that this feature does not work in combination with -# SEPARATE_MEMBER_PAGES. -# The default value is: NO. - -INLINE_GROUPED_CLASSES = NO - -# When the INLINE_SIMPLE_STRUCTS tag is set to YES, structs, classes, and unions -# with only public data fields or simple typedef fields will be shown inline in -# the documentation of the scope in which they are defined (i.e. file, -# namespace, or group documentation), provided this scope is documented. If set -# to NO, structs, classes, and unions are shown on a separate page (for HTML and -# Man pages) or section (for LaTeX and RTF). -# The default value is: NO. - -INLINE_SIMPLE_STRUCTS = NO - -# When TYPEDEF_HIDES_STRUCT tag is enabled, a typedef of a struct, union, or -# enum is documented as struct, union, or enum with the name of the typedef. So -# typedef struct TypeS {} TypeT, will appear in the documentation as a struct -# with name TypeT. When disabled the typedef will appear as a member of a file, -# namespace, or class. And the struct will be named TypeS. This can typically be -# useful for C code in case the coding convention dictates that all compound -# types are typedef'ed and only the typedef is referenced, never the tag name. -# The default value is: NO. - -TYPEDEF_HIDES_STRUCT = NO - -# The size of the symbol lookup cache can be set using LOOKUP_CACHE_SIZE. This -# cache is used to resolve symbols given their name and scope. Since this can be -# an expensive process and often the same symbol appears multiple times in the -# code, doxygen keeps a cache of pre-resolved symbols. If the cache is too small -# doxygen will become slower. If the cache is too large, memory is wasted. The -# cache size is given by this formula: 2^(16+LOOKUP_CACHE_SIZE). The valid range -# is 0..9, the default is 0, corresponding to a cache size of 2^16=65536 -# symbols. At the end of a run doxygen will report the cache usage and suggest -# the optimal cache size from a speed point of view. -# Minimum value: 0, maximum value: 9, default value: 0. - -LOOKUP_CACHE_SIZE = 0 - -# The NUM_PROC_THREADS specifies the number threads doxygen is allowed to use -# during processing. When set to 0 doxygen will based this on the number of -# cores available in the system. You can set it explicitly to a value larger -# than 0 to get more control over the balance between CPU load and processing -# speed. At this moment only the input processing can be done using multiple -# threads. Since this is still an experimental feature the default is set to 1, -# which efficively disables parallel processing. Please report any issues you -# encounter. Generating dot graphs in parallel is controlled by the -# DOT_NUM_THREADS setting. -# Minimum value: 0, maximum value: 32, default value: 1. - -NUM_PROC_THREADS = 1 - -#--------------------------------------------------------------------------- -# Build related configuration options -#--------------------------------------------------------------------------- - -# If the EXTRACT_ALL tag is set to YES, doxygen will assume all entities in -# documentation are documented, even if no documentation was available. Private -# class members and static file members will be hidden unless the -# EXTRACT_PRIVATE respectively EXTRACT_STATIC tags are set to YES. -# Note: This will also disable the warnings about undocumented members that are -# normally produced when WARNINGS is set to YES. -# The default value is: NO. - -EXTRACT_ALL = NO - -# If the EXTRACT_PRIVATE tag is set to YES, all private members of a class will -# be included in the documentation. -# The default value is: NO. - -EXTRACT_PRIVATE = YES - -# If the EXTRACT_PRIV_VIRTUAL tag is set to YES, documented private virtual -# methods of a class will be included in the documentation. -# The default value is: NO. - -EXTRACT_PRIV_VIRTUAL = NO - -# If the EXTRACT_PACKAGE tag is set to YES, all members with package or internal -# scope will be included in the documentation. -# The default value is: NO. - -EXTRACT_PACKAGE = NO - -# If the EXTRACT_STATIC tag is set to YES, all static members of a file will be -# included in the documentation. -# The default value is: NO. - -EXTRACT_STATIC = YES - -# If the EXTRACT_LOCAL_CLASSES tag is set to YES, classes (and structs) defined -# locally in source files will be included in the documentation. If set to NO, -# only classes defined in header files are included. Does not have any effect -# for Java sources. -# The default value is: YES. - -EXTRACT_LOCAL_CLASSES = YES - -# This flag is only useful for Objective-C code. If set to YES, local methods, -# which are defined in the implementation section but not in the interface are -# included in the documentation. If set to NO, only methods in the interface are -# included. -# The default value is: NO. - -EXTRACT_LOCAL_METHODS = NO - -# If this flag is set to YES, the members of anonymous namespaces will be -# extracted and appear in the documentation as a namespace called -# 'anonymous_namespace{file}', where file will be replaced with the base name of -# the file that contains the anonymous namespace. By default anonymous namespace -# are hidden. -# The default value is: NO. - -EXTRACT_ANON_NSPACES = NO - -# If this flag is set to YES, the name of an unnamed parameter in a declaration -# will be determined by the corresponding definition. By default unnamed -# parameters remain unnamed in the output. -# The default value is: YES. - -RESOLVE_UNNAMED_PARAMS = YES - -# If the HIDE_UNDOC_MEMBERS tag is set to YES, doxygen will hide all -# undocumented members inside documented classes or files. If set to NO these -# members will be included in the various overviews, but no documentation -# section is generated. This option has no effect if EXTRACT_ALL is enabled. -# The default value is: NO. - -HIDE_UNDOC_MEMBERS = NO - -# If the HIDE_UNDOC_CLASSES tag is set to YES, doxygen will hide all -# undocumented classes that are normally visible in the class hierarchy. If set -# to NO, these classes will be included in the various overviews. This option -# has no effect if EXTRACT_ALL is enabled. -# The default value is: NO. - -HIDE_UNDOC_CLASSES = NO - -# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, doxygen will hide all friend -# declarations. If set to NO, these declarations will be included in the -# documentation. -# The default value is: NO. - -HIDE_FRIEND_COMPOUNDS = NO - -# If the HIDE_IN_BODY_DOCS tag is set to YES, doxygen will hide any -# documentation blocks found inside the body of a function. If set to NO, these -# blocks will be appended to the function's detailed documentation block. -# The default value is: NO. - -HIDE_IN_BODY_DOCS = NO - -# The INTERNAL_DOCS tag determines if documentation that is typed after a -# \internal command is included. If the tag is set to NO then the documentation -# will be excluded. Set it to YES to include the internal documentation. -# The default value is: NO. - -INTERNAL_DOCS = NO - -# With the correct setting of option CASE_SENSE_NAMES doxygen will better be -# able to match the capabilities of the underlying filesystem. In case the -# filesystem is case sensitive (i.e. it supports files in the same directory -# whose names only differ in casing), the option must be set to YES to properly -# deal with such files in case they appear in the input. For filesystems that -# are not case sensitive the option should be be set to NO to properly deal with -# output files written for symbols that only differ in casing, such as for two -# classes, one named CLASS and the other named Class, and to also support -# references to files without having to specify the exact matching casing. On -# Windows (including Cygwin) and MacOS, users should typically set this option -# to NO, whereas on Linux or other Unix flavors it should typically be set to -# YES. -# The default value is: system dependent. - -CASE_SENSE_NAMES = NO - -# If the HIDE_SCOPE_NAMES tag is set to NO then doxygen will show members with -# their full class and namespace scopes in the documentation. If set to YES, the -# scope will be hidden. -# The default value is: NO. - -HIDE_SCOPE_NAMES = NO - -# If the HIDE_COMPOUND_REFERENCE tag is set to NO (default) then doxygen will -# append additional text to a page's title, such as Class Reference. If set to -# YES the compound reference will be hidden. -# The default value is: NO. - -HIDE_COMPOUND_REFERENCE= NO - -# If the SHOW_INCLUDE_FILES tag is set to YES then doxygen will put a list of -# the files that are included by a file in the documentation of that file. -# The default value is: YES. - -SHOW_INCLUDE_FILES = YES - -# If the SHOW_GROUPED_MEMB_INC tag is set to YES then Doxygen will add for each -# grouped member an include statement to the documentation, telling the reader -# which file to include in order to use the member. -# The default value is: NO. - -SHOW_GROUPED_MEMB_INC = NO - -# If the FORCE_LOCAL_INCLUDES tag is set to YES then doxygen will list include -# files with double quotes in the documentation rather than with sharp brackets. -# The default value is: NO. - -FORCE_LOCAL_INCLUDES = NO - -# If the INLINE_INFO tag is set to YES then a tag [inline] is inserted in the -# documentation for inline members. -# The default value is: YES. - -INLINE_INFO = YES - -# If the SORT_MEMBER_DOCS tag is set to YES then doxygen will sort the -# (detailed) documentation of file and class members alphabetically by member -# name. If set to NO, the members will appear in declaration order. -# The default value is: YES. - -SORT_MEMBER_DOCS = YES - -# If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the brief -# descriptions of file, namespace and class members alphabetically by member -# name. If set to NO, the members will appear in declaration order. Note that -# this will also influence the order of the classes in the class list. -# The default value is: NO. - -SORT_BRIEF_DOCS = NO - -# If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the -# (brief and detailed) documentation of class members so that constructors and -# destructors are listed first. If set to NO the constructors will appear in the -# respective orders defined by SORT_BRIEF_DOCS and SORT_MEMBER_DOCS. -# Note: If SORT_BRIEF_DOCS is set to NO this option is ignored for sorting brief -# member documentation. -# Note: If SORT_MEMBER_DOCS is set to NO this option is ignored for sorting -# detailed member documentation. -# The default value is: NO. - -SORT_MEMBERS_CTORS_1ST = NO - -# If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the hierarchy -# of group names into alphabetical order. If set to NO the group names will -# appear in their defined order. -# The default value is: NO. - -SORT_GROUP_NAMES = NO - -# If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be sorted by -# fully-qualified names, including namespaces. If set to NO, the class list will -# be sorted only by class name, not including the namespace part. -# Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES. -# Note: This option applies only to the class list, not to the alphabetical -# list. -# The default value is: NO. - -SORT_BY_SCOPE_NAME = NO - -# If the STRICT_PROTO_MATCHING option is enabled and doxygen fails to do proper -# type resolution of all parameters of a function it will reject a match between -# the prototype and the implementation of a member function even if there is -# only one candidate or it is obvious which candidate to choose by doing a -# simple string match. By disabling STRICT_PROTO_MATCHING doxygen will still -# accept a match between prototype and implementation in such cases. -# The default value is: NO. - -STRICT_PROTO_MATCHING = NO - -# The GENERATE_TODOLIST tag can be used to enable (YES) or disable (NO) the todo -# list. This list is created by putting \todo commands in the documentation. -# The default value is: YES. - -GENERATE_TODOLIST = YES - -# The GENERATE_TESTLIST tag can be used to enable (YES) or disable (NO) the test -# list. This list is created by putting \test commands in the documentation. -# The default value is: YES. - -GENERATE_TESTLIST = YES - -# The GENERATE_BUGLIST tag can be used to enable (YES) or disable (NO) the bug -# list. This list is created by putting \bug commands in the documentation. -# The default value is: YES. - -GENERATE_BUGLIST = YES - -# The GENERATE_DEPRECATEDLIST tag can be used to enable (YES) or disable (NO) -# the deprecated list. This list is created by putting \deprecated commands in -# the documentation. -# The default value is: YES. - -GENERATE_DEPRECATEDLIST= YES - -# The ENABLED_SECTIONS tag can be used to enable conditional documentation -# sections, marked by \if ... \endif and \cond -# ... \endcond blocks. - -ENABLED_SECTIONS = - -# The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the -# initial value of a variable or macro / define can have for it to appear in the -# documentation. If the initializer consists of more lines than specified here -# it will be hidden. Use a value of 0 to hide initializers completely. The -# appearance of the value of individual variables and macros / defines can be -# controlled using \showinitializer or \hideinitializer command in the -# documentation regardless of this setting. -# Minimum value: 0, maximum value: 10000, default value: 30. - -MAX_INITIALIZER_LINES = 30 - -# Set the SHOW_USED_FILES tag to NO to disable the list of files generated at -# the bottom of the documentation of classes and structs. If set to YES, the -# list will mention the files that were used to generate the documentation. -# The default value is: YES. - -SHOW_USED_FILES = YES - -# Set the SHOW_FILES tag to NO to disable the generation of the Files page. This -# will remove the Files entry from the Quick Index and from the Folder Tree View -# (if specified). -# The default value is: YES. - -SHOW_FILES = YES - -# Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces -# page. This will remove the Namespaces entry from the Quick Index and from the -# Folder Tree View (if specified). -# The default value is: YES. - -SHOW_NAMESPACES = YES - -# The FILE_VERSION_FILTER tag can be used to specify a program or script that -# doxygen should invoke to get the current version for each file (typically from -# the version control system). Doxygen will invoke the program by executing (via -# popen()) the command command input-file, where command is the value of the -# FILE_VERSION_FILTER tag, and input-file is the name of an input file provided -# by doxygen. Whatever the program writes to standard output is used as the file -# version. For an example see the documentation. - -FILE_VERSION_FILTER = - -# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed -# by doxygen. The layout file controls the global structure of the generated -# output files in an output format independent way. To create the layout file -# that represents doxygen's defaults, run doxygen with the -l option. You can -# optionally specify a file name after the option, if omitted DoxygenLayout.xml -# will be used as the name of the layout file. -# -# Note that if you run doxygen from a directory containing a file called -# DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE -# tag is left empty. - -LAYOUT_FILE = - -# The CITE_BIB_FILES tag can be used to specify one or more bib files containing -# the reference definitions. This must be a list of .bib files. The .bib -# extension is automatically appended if omitted. This requires the bibtex tool -# to be installed. See also https://en.wikipedia.org/wiki/BibTeX for more info. -# For LaTeX the style of the bibliography can be controlled using -# LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the -# search path. See also \cite for info how to create references. - -CITE_BIB_FILES = - -#--------------------------------------------------------------------------- -# Configuration options related to warning and progress messages -#--------------------------------------------------------------------------- - -# The QUIET tag can be used to turn on/off the messages that are generated to -# standard output by doxygen. If QUIET is set to YES this implies that the -# messages are off. -# The default value is: NO. - -QUIET = NO - -# The WARNINGS tag can be used to turn on/off the warning messages that are -# generated to standard error (stderr) by doxygen. If WARNINGS is set to YES -# this implies that the warnings are on. -# -# Tip: Turn warnings on while writing the documentation. -# The default value is: YES. - -WARNINGS = YES - -# If the WARN_IF_UNDOCUMENTED tag is set to YES then doxygen will generate -# warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag -# will automatically be disabled. -# The default value is: YES. - -WARN_IF_UNDOCUMENTED = YES - -# If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for -# potential errors in the documentation, such as not documenting some parameters -# in a documented function, or documenting parameters that don't exist or using -# markup commands wrongly. -# The default value is: YES. - -WARN_IF_DOC_ERROR = YES - -# This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that -# are documented, but have no documentation for their parameters or return -# value. If set to NO, doxygen will only warn about wrong or incomplete -# parameter documentation, but not about the absence of documentation. If -# EXTRACT_ALL is set to YES then this flag will automatically be disabled. -# The default value is: NO. - -WARN_NO_PARAMDOC = NO - -# If the WARN_AS_ERROR tag is set to YES then doxygen will immediately stop when -# a warning is encountered. If the WARN_AS_ERROR tag is set to FAIL_ON_WARNINGS -# then doxygen will continue running as if WARN_AS_ERROR tag is set to NO, but -# at the end of the doxygen process doxygen will return with a non-zero status. -# Possible values are: NO, YES and FAIL_ON_WARNINGS. -# The default value is: NO. - -WARN_AS_ERROR = NO - -# The WARN_FORMAT tag determines the format of the warning messages that doxygen -# can produce. The string should contain the $file, $line, and $text tags, which -# will be replaced by the file and line number from which the warning originated -# and the warning text. Optionally the format may contain $version, which will -# be replaced by the version of the file (if it could be obtained via -# FILE_VERSION_FILTER) -# The default value is: $file:$line: $text. - -WARN_FORMAT = "$file:$line: $text" - -# The WARN_LOGFILE tag can be used to specify a file to which warning and error -# messages should be written. If left blank the output is written to standard -# error (stderr). - -WARN_LOGFILE = - -#--------------------------------------------------------------------------- -# Configuration options related to the input files -#--------------------------------------------------------------------------- - - -# This tag can be used to specify the character encoding of the source files -# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses -# libiconv (or the iconv built into libc) for the transcoding. See the libiconv -# documentation (see: -# https://www.gnu.org/software/libiconv/) for the list of possible encodings. -# The default value is: UTF-8. - -INPUT_ENCODING = UTF-8 - -# If the value of the INPUT tag contains directories, you can use the -# FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and -# *.h) to filter out the source-files in the directories. -# -# Note that for custom extensions or not directly supported extensions you also -# need to set EXTENSION_MAPPING for the extension otherwise the files are not -# read by doxygen. -# -# Note the list of default checked file patterns might differ from the list of -# default file extension mappings. -# -# If left blank the following patterns are tested:*.c, *.cc, *.cxx, *.cpp, -# *.c++, *.java, *.ii, *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, -# *.hh, *.hxx, *.hpp, *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, -# *.m, *.markdown, *.md, *.mm, *.dox (to be provided as doxygen C comment), -# *.py, *.pyw, *.f90, *.f95, *.f03, *.f08, *.f18, *.f, *.for, *.vhd, *.vhdl, -# *.ucf, *.qsf and *.ice. - -FILE_PATTERNS = *.c \ - *.cc \ - *.cxx \ - *.cpp \ - *.c++ \ - *.java \ - *.ii \ - *.ixx \ - *.ipp \ - *.i++ \ - *.inl \ - *.idl \ - *.ddl \ - *.odl \ - *.h \ - *.hh \ - *.hxx \ - *.hpp \ - *.h++ \ - *.cs \ - *.d \ - *.php \ - *.php4 \ - *.php5 \ - *.phtml \ - *.inc \ - *.m \ - *.markdown \ - *.md \ - *.mm \ - *.dox \ - *.py \ - *.pyw \ - *.f90 \ - *.f95 \ - *.f03 \ - *.f08 \ - *.f18 \ - *.f \ - *.for \ - *.vhd \ - *.vhdl \ - *.ucf \ - *.qsf \ - *.ice - -# The RECURSIVE tag can be used to specify whether or not subdirectories should -# be searched for input files as well. -# The default value is: NO. - -RECURSIVE = YES - - -# The EXCLUDE_SYMLINKS tag can be used to select whether or not files or -# directories that are symbolic links (a Unix file system feature) are excluded -# from the input. -# The default value is: NO. - -EXCLUDE_SYMLINKS = NO - -# If the value of the INPUT tag contains directories, you can use the -# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude -# certain files from those directories. -# -# Note that the wildcards are matched against the file with absolute path, so to -# exclude all test directories for example use the pattern */test/* - -EXCLUDE_PATTERNS = - -# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names -# (namespaces, classes, functions, etc.) that should be excluded from the -# output. The symbol name can be a fully qualified name, a word, or if the -# wildcard * is used, a substring. Examples: ANamespace, AClass, -# AClass::ANamespace, ANamespace::*Test -# -# Note that the wildcards are matched against the file with absolute path, so to -# exclude all test directories use the pattern */test/* - -EXCLUDE_SYMBOLS = - -# The EXAMPLE_PATH tag can be used to specify one or more files or directories -# that contain example code fragments that are included (see the \include -# command). - -EXAMPLE_PATH = - -# If the value of the EXAMPLE_PATH tag contains directories, you can use the -# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and -# *.h) to filter out the source-files in the directories. If left blank all -# files are included. - -EXAMPLE_PATTERNS = * - -# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be -# searched for input files to be used with the \include or \dontinclude commands -# irrespective of the value of the RECURSIVE tag. -# The default value is: NO. - -EXAMPLE_RECURSIVE = NO - -# The IMAGE_PATH tag can be used to specify one or more files or directories -# that contain images that are to be included in the documentation (see the -# \image command). - -IMAGE_PATH = - -# The INPUT_FILTER tag can be used to specify a program that doxygen should -# invoke to filter for each input file. Doxygen will invoke the filter program -# by executing (via popen()) the command: -# -# -# -# where is the value of the INPUT_FILTER tag, and is the -# name of an input file. Doxygen will then use the output that the filter -# program writes to standard output. If FILTER_PATTERNS is specified, this tag -# will be ignored. -# -# Note that the filter must not add or remove lines; it is applied before the -# code is scanned, but not when the output code is generated. If lines are added -# or removed, the anchors will not be placed correctly. -# -# Note that for custom extensions or not directly supported extensions you also -# need to set EXTENSION_MAPPING for the extension otherwise the files are not -# properly processed by doxygen. - -INPUT_FILTER = - -# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern -# basis. Doxygen will compare the file name with each pattern and apply the -# filter if there is a match. The filters are a list of the form: pattern=filter -# (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how -# filters are used. If the FILTER_PATTERNS tag is empty or if none of the -# patterns match the file name, INPUT_FILTER is applied. -# -# Note that for custom extensions or not directly supported extensions you also -# need to set EXTENSION_MAPPING for the extension otherwise the files are not -# properly processed by doxygen. - -FILTER_PATTERNS = - -# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using -# INPUT_FILTER) will also be used to filter the input files that are used for -# producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES). -# The default value is: NO. - -FILTER_SOURCE_FILES = NO - -# The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file -# pattern. A pattern will override the setting for FILTER_PATTERN (if any) and -# it is also possible to disable source filtering for a specific pattern using -# *.ext= (so without naming a filter). -# This tag requires that the tag FILTER_SOURCE_FILES is set to YES. - -FILTER_SOURCE_PATTERNS = - - -#--------------------------------------------------------------------------- -# Configuration options related to source browsing -#--------------------------------------------------------------------------- - -# If the SOURCE_BROWSER tag is set to YES then a list of source files will be -# generated. Documented entities will be cross-referenced with these sources. -# -# Note: To get rid of all source code in the generated output, make sure that -# also VERBATIM_HEADERS is set to NO. -# The default value is: NO. - -SOURCE_BROWSER = YES - -# Setting the INLINE_SOURCES tag to YES will include the body of functions, -# classes and enums directly into the documentation. -# The default value is: NO. - -INLINE_SOURCES = NO - -# Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any -# special comment blocks from generated source code fragments. Normal C, C++ and -# Fortran comments will always remain visible. -# The default value is: YES. - -STRIP_CODE_COMMENTS = YES - -# If the REFERENCED_BY_RELATION tag is set to YES then for each documented -# entity all documented functions referencing it will be listed. -# The default value is: NO. - -REFERENCED_BY_RELATION = NO - -# If the REFERENCES_RELATION tag is set to YES then for each documented function -# all documented entities called/used by that function will be listed. -# The default value is: NO. - -REFERENCES_RELATION = NO - -# If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set -# to YES then the hyperlinks from functions in REFERENCES_RELATION and -# REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will -# link to the documentation. -# The default value is: YES. - -REFERENCES_LINK_SOURCE = YES - -# If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the -# source code will show a tooltip with additional information such as prototype, -# brief description and links to the definition and documentation. Since this -# will make the HTML file larger and loading of large files a bit slower, you -# can opt to disable this feature. -# The default value is: YES. -# This tag requires that the tag SOURCE_BROWSER is set to YES. - -SOURCE_TOOLTIPS = YES - -# If the USE_HTAGS tag is set to YES then the references to source code will -# point to the HTML generated by the htags(1) tool instead of doxygen built-in -# source browser. The htags tool is part of GNU's global source tagging system -# (see https://www.gnu.org/software/global/global.html). You will need version -# 4.8.6 or higher. -# -# To use it do the following: -# - Install the latest version of global -# - Enable SOURCE_BROWSER and USE_HTAGS in the configuration file -# - Make sure the INPUT points to the root of the source tree -# - Run doxygen as normal -# -# Doxygen will invoke htags (and that will in turn invoke gtags), so these -# tools must be available from the command line (i.e. in the search path). -# -# The result: instead of the source browser generated by doxygen, the links to -# source code will now point to the output of htags. -# The default value is: NO. -# This tag requires that the tag SOURCE_BROWSER is set to YES. - -USE_HTAGS = NO - -# If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a -# verbatim copy of the header file for each class for which an include is -# specified. Set to NO to disable this. -# See also: Section \class. -# The default value is: YES. - -VERBATIM_HEADERS = YES - -#--------------------------------------------------------------------------- -# Configuration options related to the alphabetical class index -#--------------------------------------------------------------------------- - -# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all -# compounds will be generated. Enable this if the project contains a lot of -# classes, structs, unions or interfaces. -# The default value is: YES. - -ALPHABETICAL_INDEX = YES - -# In case all classes in a project start with a common prefix, all classes will -# be put under the same header in the alphabetical index. The IGNORE_PREFIX tag -# can be used to specify a prefix (or a list of prefixes) that should be ignored -# while generating the index headers. -# This tag requires that the tag ALPHABETICAL_INDEX is set to YES. - -IGNORE_PREFIX = - -#--------------------------------------------------------------------------- -# Configuration options related to the HTML output -#--------------------------------------------------------------------------- - -# If the GENERATE_HTML tag is set to YES, doxygen will generate HTML output -# The default value is: YES. - -GENERATE_HTML = YES - -# The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a -# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of -# it. -# The default directory is: html. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_OUTPUT = html - -# The HTML_FILE_EXTENSION tag can be used to specify the file extension for each -# generated HTML page (for example: .htm, .php, .asp). -# The default value is: .html. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_FILE_EXTENSION = .html - -# The HTML_HEADER tag can be used to specify a user-defined HTML header file for -# each generated HTML page. If the tag is left blank doxygen will generate a -# standard header. -# -# To get valid HTML the header file that includes any scripts and style sheets -# that doxygen needs, which is dependent on the configuration options used (e.g. -# the setting GENERATE_TREEVIEW). It is highly recommended to start with a -# default header using -# doxygen -w html new_header.html new_footer.html new_stylesheet.css -# YourConfigFile -# and then modify the file new_header.html. See also section "Doxygen usage" -# for information on how to generate the default header that doxygen normally -# uses. -# Note: The header is subject to change so you typically have to regenerate the -# default header when upgrading to a newer version of doxygen. For a description -# of the possible markers and block names see the documentation. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_HEADER = - -# The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each -# generated HTML page. If the tag is left blank doxygen will generate a standard -# footer. See HTML_HEADER for more information on how to generate a default -# footer and what special commands can be used inside the footer. See also -# section "Doxygen usage" for information on how to generate the default footer -# that doxygen normally uses. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_FOOTER = - -# The HTML_STYLESHEET tag can be used to specify a user-defined cascading style -# sheet that is used by each HTML page. It can be used to fine-tune the look of -# the HTML output. If left blank doxygen will generate a default style sheet. -# See also section "Doxygen usage" for information on how to generate the style -# sheet that doxygen normally uses. -# Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as -# it is more robust and this tag (HTML_STYLESHEET) will in the future become -# obsolete. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_STYLESHEET = - -# The HTML_EXTRA_STYLESHEET tag can be used to specify additional user-defined -# cascading style sheets that are included after the standard style sheets -# created by doxygen. Using this option one can overrule certain style aspects. -# This is preferred over using HTML_STYLESHEET since it does not replace the -# standard style sheet and is therefore more robust against future updates. -# Doxygen will copy the style sheet files to the output directory. -# Note: The order of the extra style sheet files is of importance (e.g. the last -# style sheet in the list overrules the setting of the previous ones in the -# list). For an example see the documentation. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_EXTRA_STYLESHEET = - -# The HTML_EXTRA_FILES tag can be used to specify one or more extra images or -# other source files which should be copied to the HTML output directory. Note -# that these files will be copied to the base HTML output directory. Use the -# $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these -# files. In the HTML_STYLESHEET file, use the file name only. Also note that the -# files will be copied as-is; there are no commands or markers available. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_EXTRA_FILES = - -# The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen -# will adjust the colors in the style sheet and background images according to -# this color. Hue is specified as an angle on a colorwheel, see -# https://en.wikipedia.org/wiki/Hue for more information. For instance the value -# 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300 -# purple, and 360 is red again. -# Minimum value: 0, maximum value: 359, default value: 220. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_HUE = 220 - -# The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors -# in the HTML output. For a value of 0 the output will use grayscales only. A -# value of 255 will produce the most vivid colors. -# Minimum value: 0, maximum value: 255, default value: 100. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_SAT = 100 - -# The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the -# luminance component of the colors in the HTML output. Values below 100 -# gradually make the output lighter, whereas values above 100 make the output -# darker. The value divided by 100 is the actual gamma applied, so 80 represents -# a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not -# change the gamma. -# Minimum value: 40, maximum value: 240, default value: 80. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_COLORSTYLE_GAMMA = 80 - -# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML -# page will contain the date and time when the page was generated. Setting this -# to YES can help to show when doxygen was last run and thus if the -# documentation is up to date. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_TIMESTAMP = NO - -# If the HTML_DYNAMIC_MENUS tag is set to YES then the generated HTML -# documentation will contain a main index with vertical navigation menus that -# are dynamically created via JavaScript. If disabled, the navigation index will -# consists of multiple levels of tabs that are statically embedded in every HTML -# page. Disable this option to support browsers that do not have JavaScript, -# like the Qt help browser. -# The default value is: YES. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_DYNAMIC_MENUS = YES - -# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML -# documentation will contain sections that can be hidden and shown after the -# page has loaded. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_DYNAMIC_SECTIONS = NO - -# With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries -# shown in the various tree structured indices initially; the user can expand -# and collapse entries dynamically later on. Doxygen will expand the tree to -# such a level that at most the specified number of entries are visible (unless -# a fully collapsed tree already exceeds this amount). So setting the number of -# entries 1 will produce a full collapsed tree by default. 0 is a special value -# representing an infinite number of entries and will result in a full expanded -# tree by default. -# Minimum value: 0, maximum value: 9999, default value: 100. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_INDEX_NUM_ENTRIES = 100 - -# If the GENERATE_DOCSET tag is set to YES, additional index files will be -# generated that can be used as input for Apple's Xcode 3 integrated development -# environment (see: -# https://developer.apple.com/xcode/), introduced with OSX 10.5 (Leopard). To -# create a documentation set, doxygen will generate a Makefile in the HTML -# output directory. Running make will produce the docset in that directory and -# running make install will install the docset in -# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at -# startup. See https://developer.apple.com/library/archive/featuredarticles/Doxy -# genXcode/_index.html for more information. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_DOCSET = NO - -# This tag determines the name of the docset feed. A documentation feed provides -# an umbrella under which multiple documentation sets from a single provider -# (such as a company or product suite) can be grouped. -# The default value is: Doxygen generated docs. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_FEEDNAME = "Doxygen generated docs" - -# This tag specifies a string that should uniquely identify the documentation -# set bundle. This should be a reverse domain-name style string, e.g. -# com.mycompany.MyDocSet. Doxygen will append .docset to the name. -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_BUNDLE_ID = org.doxygen.Project - -# The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify -# the documentation publisher. This should be a reverse domain-name style -# string, e.g. com.mycompany.MyDocSet.documentation. -# The default value is: org.doxygen.Publisher. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_PUBLISHER_ID = org.doxygen.Publisher - -# The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher. -# The default value is: Publisher. -# This tag requires that the tag GENERATE_DOCSET is set to YES. - -DOCSET_PUBLISHER_NAME = Publisher - -# If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three -# additional HTML index files: index.hhp, index.hhc, and index.hhk. The -# index.hhp is a project file that can be read by Microsoft's HTML Help Workshop -# (see: -# https://www.microsoft.com/en-us/download/details.aspx?id=21138) on Windows. -# -# The HTML Help Workshop contains a compiler that can convert all HTML output -# generated by doxygen into a single compiled HTML file (.chm). Compiled HTML -# files are now used as the Windows 98 help format, and will replace the old -# Windows help format (.hlp) on all Windows platforms in the future. Compressed -# HTML files also contain an index, a table of contents, and you can search for -# words in the documentation. The HTML workshop also contains a viewer for -# compressed HTML files. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_HTMLHELP = NO - -# The CHM_FILE tag can be used to specify the file name of the resulting .chm -# file. You can add a path in front of the file if the result should not be -# written to the html output directory. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -CHM_FILE = - -# The HHC_LOCATION tag can be used to specify the location (absolute path -# including file name) of the HTML help compiler (hhc.exe). If non-empty, -# doxygen will try to run the HTML help compiler on the generated index.hhp. -# The file has to be specified with full path. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -HHC_LOCATION = - -# The GENERATE_CHI flag controls if a separate .chi index file is generated -# (YES) or that it should be included in the main .chm file (NO). -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -GENERATE_CHI = NO - -# The CHM_INDEX_ENCODING is used to encode HtmlHelp index (hhk), content (hhc) -# and project file content. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -CHM_INDEX_ENCODING = - -# The BINARY_TOC flag controls whether a binary table of contents is generated -# (YES) or a normal table of contents (NO) in the .chm file. Furthermore it -# enables the Previous and Next buttons. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -BINARY_TOC = NO - -# The TOC_EXPAND flag can be set to YES to add extra items for group members to -# the table of contents of the HTML help documentation and to the tree view. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTMLHELP is set to YES. - -TOC_EXPAND = NO - -# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and -# QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that -# can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help -# (.qch) of the generated HTML documentation. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_QHP = NO - -# If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify -# the file name of the resulting .qch file. The path specified is relative to -# the HTML output folder. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QCH_FILE = - -# The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help -# Project output. For more information please see Qt Help Project / Namespace -# (see: -# https://doc.qt.io/archives/qt-4.8/qthelpproject.html#namespace). -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_NAMESPACE = org.doxygen.Project - -# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt -# Help Project output. For more information please see Qt Help Project / Virtual -# Folders (see: -# https://doc.qt.io/archives/qt-4.8/qthelpproject.html#virtual-folders). -# The default value is: doc. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_VIRTUAL_FOLDER = doc - -# If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom -# filter to add. For more information please see Qt Help Project / Custom -# Filters (see: -# https://doc.qt.io/archives/qt-4.8/qthelpproject.html#custom-filters). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_CUST_FILTER_NAME = - -# The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the -# custom filter to add. For more information please see Qt Help Project / Custom -# Filters (see: -# https://doc.qt.io/archives/qt-4.8/qthelpproject.html#custom-filters). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_CUST_FILTER_ATTRS = - -# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this -# project's filter section matches. Qt Help Project / Filter Attributes (see: -# https://doc.qt.io/archives/qt-4.8/qthelpproject.html#filter-attributes). -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHP_SECT_FILTER_ATTRS = - -# The QHG_LOCATION tag can be used to specify the location (absolute path -# including file name) of Qt's qhelpgenerator. If non-empty doxygen will try to -# run qhelpgenerator on the generated .qhp file. -# This tag requires that the tag GENERATE_QHP is set to YES. - -QHG_LOCATION = - -# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be -# generated, together with the HTML files, they form an Eclipse help plugin. To -# install this plugin and make it available under the help contents menu in -# Eclipse, the contents of the directory containing the HTML and XML files needs -# to be copied into the plugins directory of eclipse. The name of the directory -# within the plugins directory should be the same as the ECLIPSE_DOC_ID value. -# After copying Eclipse needs to be restarted before the help appears. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_ECLIPSEHELP = NO - -# A unique identifier for the Eclipse help plugin. When installing the plugin -# the directory name containing the HTML and XML files should also have this -# name. Each documentation set should have its own identifier. -# The default value is: org.doxygen.Project. -# This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES. - -ECLIPSE_DOC_ID = org.doxygen.Project - -# If you want full control over the layout of the generated HTML pages it might -# be necessary to disable the index and replace it with your own. The -# DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top -# of each HTML page. A value of NO enables the index and the value YES disables -# it. Since the tabs in the index contain the same information as the navigation -# tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -DISABLE_INDEX = NO - -# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index -# structure should be generated to display hierarchical information. If the tag -# value is set to YES, a side panel will be generated containing a tree-like -# index structure (just like the one that is generated for HTML Help). For this -# to work a browser that supports JavaScript, DHTML, CSS and frames is required -# (i.e. any modern browser). Windows users are probably better off using the -# HTML help feature. Via custom style sheets (see HTML_EXTRA_STYLESHEET) one can -# further fine-tune the look of the index. As an example, the default style -# sheet generated by doxygen has an example that shows how to put an image at -# the root of the tree instead of the PROJECT_NAME. Since the tree basically has -# the same information as the tab index, you could consider setting -# DISABLE_INDEX to YES when enabling this option. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -GENERATE_TREEVIEW = YES - -# The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that -# doxygen will group on one line in the generated HTML documentation. -# -# Note that a value of 0 will completely suppress the enum values from appearing -# in the overview section. -# Minimum value: 0, maximum value: 20, default value: 4. -# This tag requires that the tag GENERATE_HTML is set to YES. - -ENUM_VALUES_PER_LINE = 4 - -# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used -# to set the initial width (in pixels) of the frame in which the tree is shown. -# Minimum value: 0, maximum value: 1500, default value: 250. -# This tag requires that the tag GENERATE_HTML is set to YES. - -TREEVIEW_WIDTH = 250 - -# If the EXT_LINKS_IN_WINDOW option is set to YES, doxygen will open links to -# external symbols imported via tag files in a separate window. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -EXT_LINKS_IN_WINDOW = NO - -# If the HTML_FORMULA_FORMAT option is set to svg, doxygen will use the pdf2svg -# tool (see https://github.com/dawbarton/pdf2svg) or inkscape (see -# https://inkscape.org) to generate formulas as SVG images instead of PNGs for -# the HTML output. These images will generally look nicer at scaled resolutions. -# Possible values are: png (the default) and svg (looks nicer but requires the -# pdf2svg or inkscape tool). -# The default value is: png. -# This tag requires that the tag GENERATE_HTML is set to YES. - -HTML_FORMULA_FORMAT = png - -# Use this tag to change the font size of LaTeX formulas included as images in -# the HTML documentation. When you change the font size after a successful -# doxygen run you need to manually remove any form_*.png images from the HTML -# output directory to force them to be regenerated. -# Minimum value: 8, maximum value: 50, default value: 10. -# This tag requires that the tag GENERATE_HTML is set to YES. - -FORMULA_FONTSIZE = 10 - -# Use the FORMULA_TRANSPARENT tag to determine whether or not the images -# generated for formulas are transparent PNGs. Transparent PNGs are not -# supported properly for IE 6.0, but are supported on all modern browsers. -# -# Note that when changing this option you need to delete any form_*.png files in -# the HTML output directory before the changes have effect. -# The default value is: YES. -# This tag requires that the tag GENERATE_HTML is set to YES. - -FORMULA_TRANSPARENT = YES - -# The FORMULA_MACROFILE can contain LaTeX \newcommand and \renewcommand commands -# to create new LaTeX commands to be used in formulas as building blocks. See -# the section "Including formulas" for details. - -FORMULA_MACROFILE = - -# Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see -# https://www.mathjax.org) which uses client side JavaScript for the rendering -# instead of using pre-rendered bitmaps. Use this if you do not have LaTeX -# installed or if you want to formulas look prettier in the HTML output. When -# enabled you may also need to install MathJax separately and configure the path -# to it using the MATHJAX_RELPATH option. -# The default value is: NO. -# This tag requires that the tag GENERATE_HTML is set to YES. - -USE_MATHJAX = NO - -# When MathJax is enabled you can set the default output format to be used for -# the MathJax output. See the MathJax site (see: -# http://docs.mathjax.org/en/v2.7-latest/output.html) for more details. -# Possible values are: HTML-CSS (which is slower, but has the best -# compatibility), NativeMML (i.e. MathML) and SVG. -# The default value is: HTML-CSS. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_FORMAT = HTML-CSS - -# When MathJax is enabled you need to specify the location relative to the HTML -# output directory using the MATHJAX_RELPATH option. The destination directory -# should contain the MathJax.js script. For instance, if the mathjax directory -# is located at the same level as the HTML output directory, then -# MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax -# Content Delivery Network so you can quickly see the result without installing -# MathJax. However, it is strongly recommended to install a local copy of -# MathJax from https://www.mathjax.org before deployment. -# The default value is: https://cdn.jsdelivr.net/npm/mathjax@2. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_RELPATH = https://cdn.jsdelivr.net/npm/mathjax@2 - -# The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax -# extension names that should be enabled during MathJax rendering. For example -# MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_EXTENSIONS = - -# The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces -# of code that will be used on startup of the MathJax code. See the MathJax site -# (see: -# http://docs.mathjax.org/en/v2.7-latest/output.html) for more details. For an -# example see the documentation. -# This tag requires that the tag USE_MATHJAX is set to YES. - -MATHJAX_CODEFILE = - -# When the SEARCHENGINE tag is enabled doxygen will generate a search box for -# the HTML output. The underlying search engine uses javascript and DHTML and -# should work on any modern browser. Note that when using HTML help -# (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET) -# there is already a search function so this one should typically be disabled. -# For large projects the javascript based search engine can be slow, then -# enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to -# search using the keyboard; to jump to the search box use + S -# (what the is depends on the OS and browser, but it is typically -# , /