Input file: ../examples/ex2 Output file: ex2.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ TITLE Example 2.--Temperature dependence of solubility of gypsum and anhydrite SOLUTION 1 Pure water pH 7.0 temp 25.0 EQUILIBRIUM_PHASES 1 Gypsum 0.0 1.0 Anhydrite 0.0 1.0 REACTION_TEMPERATURE 1 25.0 75.0 in 51 steps SELECTED_OUTPUT file ex2.sel temperature si anhydrite gypsum USER_GRAPH 1 Example 2 -headings Temperature Gypsum Anhydrite -chart_title "Gypsum-Anhydrite Stability" -axis_scale x_axis 25 75 5 0 -axis_scale y_axis auto 0.05 0.1 -axis_titles "TEMPERATURE, IN DEGREES CELSIUS" "SATURATION INDEX" -initial_solutions false -start 10 graph_x TC 20 graph_y SI("Gypsum") SI("Anhydrite") -end END ----- TITLE ----- Example 2.--Temperature dependence of solubility of gypsum and anhydrite ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. Pure water -----------------------------Solution composition------------------------------ Elements Molality Moles Pure water ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (uS/cm, 25 oC) = 0 Density (g/cm3) = 0.99705 Activity of water = 1.000 Ionic strength = 1.002e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.208e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.11 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.003e-07 1.002e-07 -6.999 -6.999 -0.000 -4.11 H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07 H(0) 1.416e-25 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.50 0.00 1.50 H2O O2(g) -39.19 -42.08 -2.89 O2 ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.36 -4.58 -4.22 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.855e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.508e-02 1.455e-02 S 1.508e-02 1.455e-02 ----------------------------Description of solution---------------------------- pH = 7.067 Charge balance pe = -1.339 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 2161 Density (g/cm3) = 0.99908 Activity of water = 1.000 Ionic strength = 4.183e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.070706e+02 Total O = 5.359351e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.419e-07 1.168e-07 -6.848 -6.933 -0.084 -3.85 H+ 9.962e-08 8.577e-08 -7.002 -7.067 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 Ca 1.508e-02 Ca+2 1.046e-02 5.176e-03 -1.981 -2.286 -0.305 -17.76 CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50 CaOH+ 1.204e-08 1.001e-08 -7.919 -7.999 -0.080 (0) CaHSO4+ 3.168e-09 2.634e-09 -8.499 -8.579 -0.080 (0) H(0) 4.912e-15 H2 2.456e-15 2.480e-15 -14.610 -14.606 0.004 28.61 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.173 -63.169 0.004 30.40 S(-2) 5.738e-22 HS- 3.561e-22 2.931e-22 -21.448 -21.533 -0.084 20.76 H2S 2.177e-22 2.198e-22 -21.662 -21.658 0.004 37.16 S-2 8.474e-28 4.128e-28 -27.072 -27.384 -0.312 (0) S(6) 1.508e-02 SO4-2 1.046e-02 5.075e-03 -1.981 -2.295 -0.314 15.55 CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50 HSO4- 5.090e-08 4.232e-08 -7.293 -7.373 -0.080 35.33 CaHSO4+ 3.168e-09 2.634e-09 -8.499 -8.579 -0.080 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(298 K, 1 atm) Anhydrite -0.36 -4.58 -4.22 CaSO4 Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -11.50 -14.61 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -20.61 -28.60 -7.99 H2S O2(g) -60.28 -63.17 -2.89 O2 Sulfur -15.08 -10.20 4.88 S Reaction step 2. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.35 -4.58 -4.23 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.513e-02 1.459e-02 S 1.513e-02 1.459e-02 ----------------------------Description of solution---------------------------- pH = 7.053 Charge balance pe = 11.069 Adjusted to redox equilibrium Specific Conductance (uS/cm, 26 oC) = 2212 Density (g/cm3) = 0.99883 Activity of water = 1.000 Ionic strength = 4.188e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 26.00 Electrical balance (eq) = -2.205e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 50 Total H = 1.070708e+02 Total O = 5.359376e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.485e-07 1.222e-07 -6.828 -6.913 -0.085 -3.81 H+ 1.029e-07 8.853e-08 -6.988 -7.053 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 Ca 1.513e-02 Ca+2 1.047e-02 5.174e-03 -1.980 -2.286 -0.306 -17.71 CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54 CaOH+ 1.167e-08 9.696e-09 -7.933 -8.013 -0.080 (0) CaHSO4+ 3.341e-09 2.777e-09 -8.476 -8.556 -0.080 (0) H(0) 7.927e-40 H2 3.963e-40 4.002e-40 -39.402 -39.398 0.004 28.60 O(0) 1.080e-13 O2 5.402e-14 5.455e-14 -13.267 -13.263 0.004 30.48 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -120.733 -120.818 -0.085 20.81 H2S 0.000e+00 0.000e+00 -120.946 -120.942 0.004 37.17 S-2 0.000e+00 0.000e+00 -126.340 -126.653 -0.313 (0) S(6) 1.513e-02 SO4-2 1.047e-02 5.073e-03 -1.980 -2.295 -0.315 15.65 CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54 HSO4- 5.371e-08 4.463e-08 -7.270 -7.350 -0.080 35.39 CaHSO4+ 3.341e-09 2.777e-09 -8.476 -8.556 -0.080 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(299 K, 1 atm) Anhydrite -0.35 -4.58 -4.23 CaSO4 Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -36.29 -39.40 -3.10 H2 H2O(g) -1.48 -0.00 1.48 H2O H2S(g) -119.88 -127.87 -7.99 H2S O2(g) -10.36 -13.26 -2.90 O2 Sulfur -89.56 -84.70 4.86 S Reaction step 3. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.34 -4.58 -4.24 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.517e-02 1.463e-02 S 1.517e-02 1.463e-02 ----------------------------Description of solution---------------------------- pH = 7.039 Charge balance pe = 11.001 Adjusted to redox equilibrium Specific Conductance (uS/cm, 27 oC) = 2262 Density (g/cm3) = 0.99856 Activity of water = 1.000 Ionic strength = 4.191e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.220e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 27.00 Electrical balance (eq) = -2.867e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 49 Total H = 1.070709e+02 Total O = 5.359398e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.553e-07 1.277e-07 -6.809 -6.894 -0.085 -3.76 H+ 1.062e-07 9.136e-08 -6.974 -7.039 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.08 Ca 1.517e-02 Ca+2 1.048e-02 5.172e-03 -1.980 -2.286 -0.307 -17.67 CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57 CaOH+ 1.130e-08 9.391e-09 -7.947 -8.027 -0.081 (0) CaHSO4+ 3.523e-09 2.926e-09 -8.453 -8.534 -0.081 (0) H(0) 1.143e-39 H2 5.717e-40 5.773e-40 -39.243 -39.239 0.004 28.60 O(0) 1.083e-13 O2 5.417e-14 5.470e-14 -13.266 -13.262 0.004 30.55 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -120.212 -120.297 -0.085 20.85 H2S 0.000e+00 0.000e+00 -120.425 -120.420 0.004 37.17 S-2 0.000e+00 0.000e+00 -125.803 -126.117 -0.314 (0) S(6) 1.517e-02 SO4-2 1.048e-02 5.070e-03 -1.980 -2.295 -0.315 15.75 CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57 HSO4- 5.665e-08 4.706e-08 -7.247 -7.327 -0.081 35.46 CaHSO4+ 3.523e-09 2.926e-09 -8.453 -8.534 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(300 K, 1 atm) Anhydrite -0.34 -4.58 -4.24 CaSO4 Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -36.13 -39.24 -3.11 H2 H2O(g) -1.45 -0.00 1.45 H2O H2S(g) -119.35 -127.34 -7.99 H2S O2(g) -10.36 -13.26 -2.91 O2 Sulfur -89.18 -84.34 4.84 S Reaction step 4. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.33 -4.58 -4.26 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.520e-02 1.466e-02 S 1.520e-02 1.466e-02 ----------------------------Description of solution---------------------------- pH = 7.026 Charge balance pe = -1.304 Adjusted to redox equilibrium Specific Conductance (uS/cm, 28 oC) = 2313 Density (g/cm3) = 0.99828 Activity of water = 1.000 Ionic strength = 4.194e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 28.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.070711e+02 Total O = 5.359419e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.623e-07 1.335e-07 -6.790 -6.875 -0.085 -3.72 H+ 1.096e-07 9.425e-08 -6.960 -7.026 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.08 Ca 1.520e-02 Ca+2 1.049e-02 5.168e-03 -1.979 -2.287 -0.307 -17.62 CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61 CaOH+ 1.095e-08 9.097e-09 -7.960 -8.041 -0.081 (0) CaHSO4+ 3.713e-09 3.083e-09 -8.430 -8.511 -0.081 (0) H(0) 4.903e-15 H2 2.452e-15 2.475e-15 -14.611 -14.606 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.213 -62.209 0.004 30.63 S(-2) 2.569e-22 HS- 1.591e-22 1.308e-22 -21.798 -21.883 -0.085 20.89 H2S 9.783e-23 9.878e-23 -22.010 -22.005 0.004 37.18 S-2 4.235e-28 2.055e-28 -27.373 -27.687 -0.314 (0) S(6) 1.520e-02 SO4-2 1.049e-02 5.067e-03 -1.979 -2.295 -0.316 15.84 CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61 HSO4- 5.975e-08 4.961e-08 -7.224 -7.304 -0.081 35.52 CaHSO4+ 3.713e-09 3.083e-09 -8.430 -8.511 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(301 K, 1 atm) Anhydrite -0.33 -4.58 -4.26 CaSO4 Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -11.50 -14.61 -3.11 H2 H2O(g) -1.43 -0.00 1.43 H2O H2S(g) -20.92 -28.91 -7.99 H2S O2(g) -59.30 -62.21 -2.91 O2 Sulfur -15.37 -10.56 4.81 S Reaction step 5. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.31 -4.58 -4.27 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.524e-02 1.469e-02 S 1.524e-02 1.469e-02 ----------------------------Description of solution---------------------------- pH = 7.012 Charge balance pe = -2.307 Adjusted to redox equilibrium Specific Conductance (uS/cm, 29 oC) = 2364 Density (g/cm3) = 0.99800 Activity of water = 1.000 Ionic strength = 4.197e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.290e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 29.00 Electrical balance (eq) = -1.769e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 58 Total H = 1.070712e+02 Total O = 5.359438e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.696e-07 1.394e-07 -6.771 -6.856 -0.085 -3.69 H+ 1.130e-07 9.722e-08 -6.947 -7.012 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.09 Ca 1.524e-02 Ca+2 1.049e-02 5.164e-03 -1.979 -2.287 -0.308 -17.58 CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64 CaOH+ 1.062e-08 8.813e-09 -7.974 -8.055 -0.081 (0) CaHSO4+ 3.911e-09 3.247e-09 -8.408 -8.489 -0.081 (0) H(0) 5.227e-13 H2 2.613e-13 2.639e-13 -12.583 -12.579 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -65.954 -65.949 0.004 30.70 S(-2) 2.552e-14 HS- 1.579e-14 1.298e-14 -13.802 -13.887 -0.085 20.93 H2S 9.734e-15 9.828e-15 -14.012 -14.008 0.004 37.18 S-2 4.362e-20 2.113e-20 -19.360 -19.675 -0.315 (0) S(6) 1.524e-02 SO4-2 1.049e-02 5.063e-03 -1.979 -2.296 -0.316 15.93 CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64 HSO4- 6.299e-08 5.229e-08 -7.201 -7.282 -0.081 35.58 CaHSO4+ 3.911e-09 3.247e-09 -8.408 -8.489 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(302 K, 1 atm) Anhydrite -0.31 -4.58 -4.27 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -9.47 -12.58 -3.11 H2 H2O(g) -1.40 -0.00 1.40 H2O H2S(g) -12.92 -20.90 -7.98 H2S O2(g) -63.03 -65.95 -2.92 O2 Sulfur -9.39 -4.60 4.79 S Reaction step 6. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.30 -4.58 -4.28 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.527e-02 1.472e-02 S 1.527e-02 1.472e-02 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = -1.279 Adjusted to redox equilibrium Specific Conductance (uS/cm, 30 oC) = 2415 Density (g/cm3) = 0.99770 Activity of water = 1.000 Ionic strength = 4.198e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 30.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.070713e+02 Total O = 5.359456e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.770e-07 1.455e-07 -6.752 -6.837 -0.085 -3.65 H+ 1.166e-07 1.002e-07 -6.933 -6.999 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.09 Ca 1.527e-02 Ca+2 1.050e-02 5.160e-03 -1.979 -2.287 -0.308 -17.54 CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68 CaOH+ 1.029e-08 8.539e-09 -7.988 -8.069 -0.081 (0) CaHSO4+ 4.119e-09 3.418e-09 -8.385 -8.466 -0.081 (0) H(0) 4.841e-15 H2 2.420e-15 2.444e-15 -14.616 -14.612 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.574 -61.569 0.004 30.77 S(-2) 1.447e-22 HS- 8.941e-23 7.347e-23 -22.049 -22.134 -0.085 20.96 H2S 5.527e-23 5.581e-23 -22.257 -22.253 0.004 37.18 S-2 2.562e-28 1.240e-28 -27.591 -27.907 -0.315 (0) S(6) 1.527e-02 SO4-2 1.050e-02 5.059e-03 -1.979 -2.296 -0.317 16.01 CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68 HSO4- 6.640e-08 5.510e-08 -7.178 -7.259 -0.081 35.63 CaHSO4+ 4.119e-09 3.418e-09 -8.385 -8.466 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(303 K, 1 atm) Anhydrite -0.30 -4.58 -4.28 CaSO4 Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -11.50 -14.61 -3.11 H2 H2O(g) -1.38 -0.00 1.38 H2O H2S(g) -21.15 -29.13 -7.98 H2S O2(g) -58.64 -61.57 -2.93 O2 Sulfur -15.58 -10.81 4.77 S Reaction step 7. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.29 -4.58 -4.29 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.529e-02 1.475e-02 S 1.529e-02 1.475e-02 ----------------------------Description of solution---------------------------- pH = 6.986 Charge balance pe = -1.267 Adjusted to redox equilibrium Specific Conductance (uS/cm, 31 oC) = 2466 Density (g/cm3) = 0.99740 Activity of water = 1.000 Ionic strength = 4.199e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 31.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.070714e+02 Total O = 5.359471e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.848e-07 1.518e-07 -6.733 -6.819 -0.085 -3.62 H+ 1.202e-07 1.033e-07 -6.920 -6.986 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.10 Ca 1.529e-02 Ca+2 1.050e-02 5.154e-03 -1.979 -2.288 -0.309 -17.50 CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71 CaOH+ 9.975e-09 8.275e-09 -8.001 -8.082 -0.081 (0) CaHSO4+ 4.337e-09 3.597e-09 -8.363 -8.444 -0.081 (0) H(0) 4.838e-15 H2 2.419e-15 2.442e-15 -14.616 -14.612 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.262 -61.258 0.004 30.84 S(-2) 1.114e-22 HS- 6.878e-23 5.650e-23 -22.163 -22.248 -0.085 21.00 H2S 4.266e-23 4.307e-23 -22.370 -22.366 0.004 37.19 S-2 2.045e-28 9.880e-29 -27.689 -28.005 -0.316 (0) S(6) 1.529e-02 SO4-2 1.050e-02 5.053e-03 -1.979 -2.296 -0.318 16.08 CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71 HSO4- 6.998e-08 5.805e-08 -7.155 -7.236 -0.081 35.69 CaHSO4+ 4.337e-09 3.597e-09 -8.363 -8.444 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(304 K, 1 atm) Anhydrite -0.29 -4.58 -4.29 CaSO4 Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -11.50 -14.61 -3.11 H2 H2O(g) -1.35 -0.00 1.35 H2O H2S(g) -21.25 -29.23 -7.98 H2S O2(g) -58.32 -61.26 -2.93 O2 Sulfur -15.67 -10.93 4.74 S Reaction step 8. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.28 -4.59 -4.31 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.532e-02 1.477e-02 S 1.532e-02 1.477e-02 ----------------------------Description of solution---------------------------- pH = 6.973 Charge balance pe = -1.256 Adjusted to redox equilibrium Specific Conductance (uS/cm, 32 oC) = 2517 Density (g/cm3) = 0.99708 Activity of water = 1.000 Ionic strength = 4.200e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 32.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.070715e+02 Total O = 5.359485e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 1.928e-07 1.583e-07 -6.715 -6.801 -0.086 -3.59 H+ 1.239e-07 1.065e-07 -6.907 -6.973 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.11 Ca 1.532e-02 Ca+2 1.050e-02 5.148e-03 -1.979 -2.288 -0.309 -17.46 CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74 CaOH+ 9.671e-09 8.020e-09 -8.015 -8.096 -0.081 (0) CaHSO4+ 4.563e-09 3.784e-09 -8.341 -8.422 -0.081 (0) H(0) 4.832e-15 H2 2.416e-15 2.439e-15 -14.617 -14.613 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.952 -60.948 0.004 30.91 S(-2) 8.570e-23 HS- 5.283e-23 4.338e-23 -22.277 -22.363 -0.086 21.03 H2S 3.287e-23 3.319e-23 -22.483 -22.479 0.004 37.19 S-2 1.629e-28 7.861e-29 -27.788 -28.105 -0.316 (0) S(6) 1.532e-02 SO4-2 1.050e-02 5.047e-03 -1.979 -2.297 -0.318 16.15 CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74 HSO4- 7.373e-08 6.114e-08 -7.132 -7.214 -0.081 35.74 CaHSO4+ 4.563e-09 3.784e-09 -8.341 -8.422 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(305 K, 1 atm) Anhydrite -0.28 -4.59 -4.31 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.50 -14.61 -3.12 H2 H2O(g) -1.33 -0.00 1.33 H2O H2S(g) -21.36 -29.34 -7.98 H2S O2(g) -58.01 -60.95 -2.94 O2 Sulfur -15.77 -11.05 4.72 S Reaction step 9. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.27 -4.59 -4.32 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.534e-02 1.479e-02 S 1.534e-02 1.479e-02 ----------------------------Description of solution---------------------------- pH = 6.960 Charge balance pe = -1.246 Adjusted to redox equilibrium Specific Conductance (uS/cm, 33 oC) = 2568 Density (g/cm3) = 0.99676 Activity of water = 1.000 Ionic strength = 4.199e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 33.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.070716e+02 Total O = 5.359497e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.010e-07 1.650e-07 -6.697 -6.783 -0.086 -3.56 H+ 1.277e-07 1.097e-07 -6.894 -6.960 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.11 Ca 1.534e-02 Ca+2 1.050e-02 5.142e-03 -1.979 -2.289 -0.310 -17.43 CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77 CaOH+ 9.379e-09 7.775e-09 -8.028 -8.109 -0.081 (0) CaHSO4+ 4.800e-09 3.979e-09 -8.319 -8.400 -0.081 (0) H(0) 4.840e-15 H2 2.420e-15 2.443e-15 -14.616 -14.612 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.646 -60.642 0.004 30.97 S(-2) 6.679e-23 HS- 4.112e-23 3.375e-23 -22.386 -22.472 -0.086 21.06 H2S 2.567e-23 2.592e-23 -22.590 -22.586 0.004 37.19 S-2 1.314e-28 6.336e-29 -27.881 -28.198 -0.317 (0) S(6) 1.534e-02 SO4-2 1.050e-02 5.041e-03 -1.979 -2.298 -0.319 16.21 CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77 HSO4- 7.765e-08 6.437e-08 -7.110 -7.191 -0.081 35.79 CaHSO4+ 4.800e-09 3.979e-09 -8.319 -8.400 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(306 K, 1 atm) Anhydrite -0.27 -4.59 -4.32 CaSO4 Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.49 -14.61 -3.12 H2 H2O(g) -1.30 -0.00 1.30 H2O H2S(g) -21.46 -29.43 -7.97 H2S O2(g) -57.70 -60.64 -2.95 O2 Sulfur -15.86 -11.16 4.70 S Reaction step 10. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.26 -4.59 -4.33 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.536e-02 1.481e-02 S 1.536e-02 1.481e-02 ----------------------------Description of solution---------------------------- pH = 6.947 Charge balance pe = -1.233 Adjusted to redox equilibrium Specific Conductance (uS/cm, 34 oC) = 2619 Density (g/cm3) = 0.99643 Activity of water = 1.000 Ionic strength = 4.198e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 34.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.070717e+02 Total O = 5.359508e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.095e-07 1.719e-07 -6.679 -6.765 -0.086 -3.53 H+ 1.315e-07 1.130e-07 -6.881 -6.947 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.12 Ca 1.536e-02 Ca+2 1.050e-02 5.134e-03 -1.979 -2.290 -0.311 -17.40 CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80 CaOH+ 9.096e-09 7.538e-09 -8.041 -8.123 -0.082 (0) CaHSO4+ 5.047e-09 4.183e-09 -8.297 -8.379 -0.082 (0) H(0) 4.804e-15 H2 2.402e-15 2.425e-15 -14.619 -14.615 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.335 -60.330 0.004 31.04 S(-2) 5.026e-23 HS- 3.090e-23 2.535e-23 -22.510 -22.596 -0.086 21.09 H2S 1.937e-23 1.956e-23 -22.713 -22.709 0.004 37.20 S-2 1.024e-28 4.931e-29 -27.990 -28.307 -0.317 (0) S(6) 1.536e-02 SO4-2 1.050e-02 5.034e-03 -1.979 -2.298 -0.319 16.27 CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80 HSO4- 8.177e-08 6.776e-08 -7.087 -7.169 -0.082 35.84 CaHSO4+ 5.047e-09 4.183e-09 -8.297 -8.379 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(307 K, 1 atm) Anhydrite -0.26 -4.59 -4.33 CaSO4 Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.50 -14.62 -3.12 H2 H2O(g) -1.28 -0.00 1.28 H2O H2S(g) -21.57 -29.54 -7.97 H2S O2(g) -57.38 -60.33 -2.95 O2 Sulfur -15.96 -11.28 4.68 S Reaction step 11. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.25 -4.59 -4.34 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.537e-02 1.482e-02 S 1.537e-02 1.482e-02 ----------------------------Description of solution---------------------------- pH = 6.934 Charge balance pe = -1.221 Adjusted to redox equilibrium Specific Conductance (uS/cm, 35 oC) = 2670 Density (g/cm3) = 0.99609 Activity of water = 1.000 Ionic strength = 4.197e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 35.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.070717e+02 Total O = 5.359517e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.182e-07 1.790e-07 -6.661 -6.747 -0.086 -3.51 H+ 1.355e-07 1.163e-07 -6.868 -6.934 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.12 Ca 1.537e-02 Ca+2 1.049e-02 5.126e-03 -1.979 -2.290 -0.311 -17.37 CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83 CaOH+ 8.824e-09 7.310e-09 -8.054 -8.136 -0.082 (0) CaHSO4+ 5.305e-09 4.395e-09 -8.275 -8.357 -0.082 (0) H(0) 4.777e-15 H2 2.388e-15 2.412e-15 -14.622 -14.618 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -60.027 -60.022 0.004 31.10 S(-2) 3.817e-23 HS- 2.343e-23 1.922e-23 -22.630 -22.716 -0.086 21.12 H2S 1.474e-23 1.489e-23 -22.831 -22.827 0.004 37.20 S-2 8.050e-29 3.871e-29 -28.094 -28.412 -0.318 (0) S(6) 1.537e-02 SO4-2 1.049e-02 5.026e-03 -1.979 -2.299 -0.320 16.32 CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83 HSO4- 8.607e-08 7.131e-08 -7.065 -7.147 -0.082 35.88 CaHSO4+ 5.305e-09 4.395e-09 -8.275 -8.357 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(308 K, 1 atm) Anhydrite -0.25 -4.59 -4.34 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.50 -14.62 -3.12 H2 H2O(g) -1.26 -0.00 1.26 H2O H2S(g) -21.68 -29.65 -7.97 H2S O2(g) -57.07 -60.02 -2.96 O2 Sulfur -16.06 -11.40 4.66 S Reaction step 12. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.23 -4.59 -4.36 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.538e-02 1.484e-02 S 1.538e-02 1.484e-02 ----------------------------Description of solution---------------------------- pH = 6.922 Charge balance pe = -1.212 Adjusted to redox equilibrium Specific Conductance (uS/cm, 36 oC) = 2720 Density (g/cm3) = 0.99574 Activity of water = 1.000 Ionic strength = 4.194e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 36.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.070718e+02 Total O = 5.359524e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.273e-07 1.864e-07 -6.643 -6.730 -0.086 -3.49 H+ 1.395e-07 1.197e-07 -6.856 -6.922 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.13 Ca 1.538e-02 Ca+2 1.049e-02 5.118e-03 -1.979 -2.291 -0.312 -17.34 CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86 CaOH+ 8.561e-09 7.090e-09 -8.067 -8.149 -0.082 (0) CaHSO4+ 5.574e-09 4.616e-09 -8.254 -8.336 -0.082 (0) H(0) 4.810e-15 H2 2.405e-15 2.428e-15 -14.619 -14.615 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -59.732 -59.727 0.004 31.16 S(-2) 3.053e-23 HS- 1.871e-23 1.534e-23 -22.728 -22.814 -0.086 21.14 H2S 1.182e-23 1.194e-23 -22.927 -22.923 0.004 37.20 S-2 6.662e-29 3.200e-29 -28.176 -28.495 -0.318 (0) S(6) 1.538e-02 SO4-2 1.049e-02 5.018e-03 -1.979 -2.300 -0.320 16.36 CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86 HSO4- 9.058e-08 7.502e-08 -7.043 -7.125 -0.082 35.93 CaHSO4+ 5.574e-09 4.616e-09 -8.254 -8.336 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(309 K, 1 atm) Anhydrite -0.23 -4.59 -4.36 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.49 -14.61 -3.12 H2 H2O(g) -1.23 -0.00 1.23 H2O H2S(g) -21.77 -29.74 -7.97 H2S O2(g) -56.76 -59.73 -2.96 O2 Sulfur -16.14 -11.50 4.63 S Reaction step 13. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.22 -4.59 -4.37 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.539e-02 1.485e-02 S 1.539e-02 1.485e-02 ----------------------------Description of solution---------------------------- pH = 6.909 Charge balance pe = -1.204 Adjusted to redox equilibrium Specific Conductance (uS/cm, 37 oC) = 2771 Density (g/cm3) = 0.99539 Activity of water = 1.000 Ionic strength = 4.191e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 37.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.070718e+02 Total O = 5.359529e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.366e-07 1.940e-07 -6.626 -6.712 -0.086 -3.47 H+ 1.435e-07 1.232e-07 -6.843 -6.909 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.14 Ca 1.539e-02 Ca+2 1.048e-02 5.109e-03 -1.980 -2.292 -0.312 -17.31 CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88 CaOH+ 8.308e-09 6.879e-09 -8.080 -8.163 -0.082 (0) CaHSO4+ 5.853e-09 4.846e-09 -8.233 -8.315 -0.082 (0) H(0) 4.844e-15 H2 2.422e-15 2.445e-15 -14.616 -14.612 0.004 28.60 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -59.438 -59.434 0.004 31.22 S(-2) 2.445e-23 HS- 1.496e-23 1.226e-23 -22.825 -22.911 -0.086 21.17 H2S 9.494e-24 9.586e-24 -23.023 -23.018 0.004 37.20 S-2 5.520e-29 2.649e-29 -28.258 -28.577 -0.319 (0) S(6) 1.539e-02 SO4-2 1.048e-02 5.009e-03 -1.980 -2.300 -0.321 16.41 CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88 HSO4- 9.530e-08 7.890e-08 -7.021 -7.103 -0.082 35.97 CaHSO4+ 5.853e-09 4.846e-09 -8.233 -8.315 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(310 K, 1 atm) Anhydrite -0.22 -4.59 -4.37 CaSO4 Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.49 -14.61 -3.12 H2 H2O(g) -1.21 -0.00 1.21 H2O H2S(g) -21.85 -29.82 -7.97 H2S O2(g) -56.47 -59.43 -2.97 O2 Sulfur -16.22 -11.61 4.61 S Reaction step 14. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.21 -4.59 -4.38 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.851e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.540e-02 1.485e-02 S 1.540e-02 1.485e-02 ----------------------------Description of solution---------------------------- pH = 6.897 Charge balance pe = -1.194 Adjusted to redox equilibrium Specific Conductance (uS/cm, 38 oC) = 2822 Density (g/cm3) = 0.99503 Activity of water = 1.000 Ionic strength = 4.188e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 38.00 Electrical balance (eq) = -2.098e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070718e+02 Total O = 5.359533e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.462e-07 2.018e-07 -6.609 -6.695 -0.086 -3.46 H+ 1.477e-07 1.267e-07 -6.831 -6.897 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.14 Ca 1.540e-02 Ca+2 1.047e-02 5.099e-03 -1.980 -2.293 -0.312 -17.29 CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91 CaOH+ 8.064e-09 6.675e-09 -8.093 -8.176 -0.082 (0) CaHSO4+ 6.144e-09 5.085e-09 -8.212 -8.294 -0.082 (0) H(0) 4.851e-15 H2 2.426e-15 2.449e-15 -14.615 -14.611 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -59.142 -59.138 0.004 31.28 S(-2) 1.919e-23 HS- 1.172e-23 9.602e-24 -22.931 -23.018 -0.086 21.19 H2S 7.471e-24 7.544e-24 -23.127 -23.122 0.004 37.21 S-2 4.481e-29 2.148e-29 -28.349 -28.668 -0.319 (0) S(6) 1.540e-02 SO4-2 1.047e-02 4.999e-03 -1.980 -2.301 -0.321 16.44 CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91 HSO4- 1.002e-07 8.296e-08 -6.999 -7.081 -0.082 36.01 CaHSO4+ 6.144e-09 5.085e-09 -8.212 -8.294 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(311 K, 1 atm) Anhydrite -0.21 -4.59 -4.38 CaSO4 Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O H2(g) -11.49 -14.61 -3.13 H2 H2O(g) -1.18 -0.00 1.18 H2O H2S(g) -21.95 -29.91 -7.97 H2S O2(g) -56.16 -59.14 -2.97 O2 Sulfur -16.31 -11.72 4.59 S Reaction step 15. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.20 -4.60 -4.39 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.540e-02 1.486e-02 S 1.540e-02 1.486e-02 ----------------------------Description of solution---------------------------- pH = 6.885 Charge balance pe = -1.184 Adjusted to redox equilibrium Specific Conductance (uS/cm, 39 oC) = 2872 Density (g/cm3) = 0.99465 Activity of water = 1.000 Ionic strength = 4.184e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 39.00 Electrical balance (eq) = -2.126e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 29 Total H = 1.070719e+02 Total O = 5.359535e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.561e-07 2.098e-07 -6.592 -6.678 -0.087 -3.44 H+ 1.519e-07 1.303e-07 -6.819 -6.885 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.15 Ca 1.540e-02 Ca+2 1.046e-02 5.089e-03 -1.980 -2.293 -0.313 -17.27 CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94 CaOH+ 7.829e-09 6.478e-09 -8.106 -8.189 -0.082 (0) CaHSO4+ 6.447e-09 5.335e-09 -8.191 -8.273 -0.082 (0) H(0) 4.857e-15 H2 2.429e-15 2.452e-15 -14.615 -14.610 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.848 -58.844 0.004 31.34 S(-2) 1.505e-23 HS- 9.175e-24 7.518e-24 -23.037 -23.124 -0.087 21.21 H2S 5.880e-24 5.937e-24 -23.231 -23.226 0.004 37.21 S-2 3.637e-29 1.741e-29 -28.439 -28.759 -0.320 (0) S(6) 1.540e-02 SO4-2 1.046e-02 4.989e-03 -1.981 -2.302 -0.321 16.47 CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94 HSO4- 1.054e-07 8.720e-08 -6.977 -7.059 -0.082 36.04 CaHSO4+ 6.447e-09 5.335e-09 -8.191 -8.273 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(312 K, 1 atm) Anhydrite -0.20 -4.60 -4.39 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -1.16 -0.00 1.16 H2O H2S(g) -22.05 -30.01 -7.96 H2S O2(g) -55.86 -58.84 -2.98 O2 Sulfur -16.39 -11.82 4.57 S Reaction step 16. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.19 -4.60 -4.41 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.540e-02 1.486e-02 S 1.540e-02 1.486e-02 ----------------------------Description of solution---------------------------- pH = 6.873 Charge balance pe = -1.173 Adjusted to redox equilibrium Specific Conductance (uS/cm, 40 oC) = 2923 Density (g/cm3) = 0.99427 Activity of water = 1.000 Ionic strength = 4.179e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 40.00 Electrical balance (eq) = -2.126e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070719e+02 Total O = 5.359535e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.663e-07 2.181e-07 -6.575 -6.661 -0.087 -3.43 H+ 1.561e-07 1.339e-07 -6.806 -6.873 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.16 Ca 1.540e-02 Ca+2 1.045e-02 5.078e-03 -1.981 -2.294 -0.313 -17.25 CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96 CaOH+ 7.602e-09 6.288e-09 -8.119 -8.201 -0.082 (0) CaHSO4+ 6.762e-09 5.594e-09 -8.170 -8.252 -0.082 (0) H(0) 4.850e-15 H2 2.425e-15 2.448e-15 -14.615 -14.611 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.553 -58.549 0.004 31.40 S(-2) 1.170e-23 HS- 7.119e-24 5.832e-24 -23.148 -23.234 -0.087 21.23 H2S 4.585e-24 4.629e-24 -23.339 -23.335 0.004 37.21 S-2 2.924e-29 1.399e-29 -28.534 -28.854 -0.320 (0) S(6) 1.540e-02 SO4-2 1.045e-02 4.978e-03 -1.981 -2.303 -0.322 16.50 CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96 HSO4- 1.108e-07 9.163e-08 -6.956 -7.038 -0.082 36.08 CaHSO4+ 6.762e-09 5.594e-09 -8.170 -8.252 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(313 K, 1 atm) Anhydrite -0.19 -4.60 -4.41 CaSO4 Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -1.14 -0.00 1.14 H2O H2S(g) -22.15 -30.11 -7.96 H2S O2(g) -55.56 -58.55 -2.98 O2 Sulfur -16.48 -11.94 4.55 S Reaction step 17. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.18 -4.60 -4.42 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.540e-02 1.485e-02 S 1.540e-02 1.485e-02 ----------------------------Description of solution---------------------------- pH = 6.861 Charge balance pe = -1.162 Adjusted to redox equilibrium Specific Conductance (uS/cm, 41 oC) = 2973 Density (g/cm3) = 0.99389 Activity of water = 1.000 Ionic strength = 4.174e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 41.00 Electrical balance (eq) = -2.138e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070719e+02 Total O = 5.359534e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.768e-07 2.267e-07 -6.558 -6.645 -0.087 -3.42 H+ 1.605e-07 1.376e-07 -6.795 -6.861 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.16 Ca 1.540e-02 Ca+2 1.043e-02 5.066e-03 -1.982 -2.295 -0.314 -17.23 CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99 CaOH+ 7.383e-09 6.106e-09 -8.132 -8.214 -0.083 (0) CaHSO4+ 7.089e-09 5.863e-09 -8.149 -8.232 -0.083 (0) H(0) 4.812e-15 H2 2.406e-15 2.429e-15 -14.619 -14.614 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -58.255 -58.251 0.004 31.46 S(-2) 8.886e-24 HS- 5.394e-24 4.418e-24 -23.268 -23.355 -0.087 21.24 H2S 3.492e-24 3.526e-24 -23.457 -23.453 0.004 37.22 S-2 2.295e-29 1.097e-29 -28.639 -28.960 -0.321 (0) S(6) 1.540e-02 SO4-2 1.043e-02 4.967e-03 -1.982 -2.304 -0.322 16.52 CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99 HSO4- 1.164e-07 9.625e-08 -6.934 -7.017 -0.083 36.11 CaHSO4+ 7.089e-09 5.863e-09 -8.149 -8.232 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(314 K, 1 atm) Anhydrite -0.18 -4.60 -4.42 CaSO4 Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O H2(g) -11.49 -14.61 -3.13 H2 H2O(g) -1.12 -0.00 1.12 H2O H2S(g) -22.26 -30.22 -7.96 H2S O2(g) -55.26 -58.25 -2.99 O2 Sulfur -16.58 -12.05 4.53 S Reaction step 18. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.17 -4.60 -4.43 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.540e-02 1.485e-02 S 1.540e-02 1.485e-02 ----------------------------Description of solution---------------------------- pH = 6.850 Charge balance pe = -1.151 Adjusted to redox equilibrium Specific Conductance (uS/cm, 42 oC) = 3023 Density (g/cm3) = 0.99349 Activity of water = 1.000 Ionic strength = 4.168e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 42.00 Electrical balance (eq) = -2.171e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.070718e+02 Total O = 5.359532e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.876e-07 2.355e-07 -6.541 -6.628 -0.087 -3.41 H+ 1.649e-07 1.414e-07 -6.783 -6.850 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.17 Ca 1.540e-02 Ca+2 1.042e-02 5.054e-03 -1.982 -2.296 -0.314 -17.21 CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01 CaHSO4+ 7.429e-09 6.142e-09 -8.129 -8.212 -0.083 (0) CaOH+ 7.172e-09 5.930e-09 -8.144 -8.227 -0.083 (0) H(0) 4.789e-15 H2 2.395e-15 2.418e-15 -14.621 -14.617 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.961 -57.957 0.004 31.51 S(-2) 6.836e-24 HS- 4.141e-24 3.390e-24 -23.383 -23.470 -0.087 21.26 H2S 2.695e-24 2.721e-24 -23.569 -23.565 0.004 37.22 S-2 1.825e-29 8.715e-30 -28.739 -29.060 -0.321 (0) S(6) 1.540e-02 SO4-2 1.042e-02 4.956e-03 -1.982 -2.305 -0.323 16.54 CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01 HSO4- 1.223e-07 1.011e-07 -6.913 -6.995 -0.083 36.15 CaHSO4+ 7.429e-09 6.142e-09 -8.129 -8.212 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(315 K, 1 atm) Anhydrite -0.17 -4.60 -4.43 CaSO4 Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O H2(g) -11.49 -14.62 -3.13 H2 H2O(g) -1.09 -0.00 1.09 H2O H2S(g) -22.36 -30.32 -7.96 H2S O2(g) -54.96 -57.96 -2.99 O2 Sulfur -16.67 -12.17 4.51 S Reaction step 19. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.16 -4.60 -4.45 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.539e-02 1.484e-02 S 1.539e-02 1.484e-02 ----------------------------Description of solution---------------------------- pH = 6.838 Charge balance pe = -1.143 Adjusted to redox equilibrium Specific Conductance (uS/cm, 43 oC) = 3073 Density (g/cm3) = 0.99309 Activity of water = 1.000 Ionic strength = 4.161e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 43.00 Electrical balance (eq) = -2.175e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.070718e+02 Total O = 5.359527e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 2.988e-07 2.446e-07 -6.525 -6.612 -0.087 -3.41 H+ 1.694e-07 1.452e-07 -6.771 -6.838 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.18 Ca 1.539e-02 Ca+2 1.040e-02 5.042e-03 -1.983 -2.297 -0.315 -17.20 CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04 CaHSO4+ 7.782e-09 6.432e-09 -8.109 -8.192 -0.083 (0) CaOH+ 6.969e-09 5.760e-09 -8.157 -8.240 -0.083 (0) H(0) 4.833e-15 H2 2.417e-15 2.440e-15 -14.617 -14.613 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.681 -57.677 0.004 31.57 S(-2) 5.566e-24 HS- 3.365e-24 2.754e-24 -23.473 -23.560 -0.087 21.27 H2S 2.202e-24 2.223e-24 -23.657 -23.653 0.004 37.22 S-2 1.536e-29 7.328e-30 -28.814 -29.135 -0.321 (0) S(6) 1.539e-02 SO4-2 1.040e-02 4.943e-03 -1.983 -2.306 -0.323 16.56 CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04 HSO4- 1.284e-07 1.061e-07 -6.891 -6.974 -0.083 36.18 CaHSO4+ 7.782e-09 6.432e-09 -8.109 -8.192 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(316 K, 1 atm) Anhydrite -0.16 -4.60 -4.45 CaSO4 Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -1.07 -0.00 1.07 H2O H2S(g) -22.44 -30.40 -7.96 H2S O2(g) -54.68 -57.68 -3.00 O2 Sulfur -16.75 -12.26 4.49 S Reaction step 20. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.15 -4.61 -4.46 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.538e-02 1.483e-02 S 1.538e-02 1.483e-02 ----------------------------Description of solution---------------------------- pH = 6.827 Charge balance pe = -1.133 Adjusted to redox equilibrium Specific Conductance (uS/cm, 44 oC) = 3122 Density (g/cm3) = 0.99268 Activity of water = 1.000 Ionic strength = 4.154e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 44.00 Electrical balance (eq) = -2.167e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070718e+02 Total O = 5.359521e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.103e-07 2.539e-07 -6.508 -6.595 -0.087 -3.40 H+ 1.739e-07 1.490e-07 -6.760 -6.827 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.19 Ca 1.538e-02 Ca+2 1.039e-02 5.028e-03 -1.984 -2.299 -0.315 -17.19 CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06 CaHSO4+ 8.149e-09 6.733e-09 -8.089 -8.172 -0.083 (0) CaOH+ 6.773e-09 5.597e-09 -8.169 -8.252 -0.083 (0) H(0) 4.821e-15 H2 2.411e-15 2.434e-15 -14.618 -14.614 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.393 -57.389 0.004 31.62 S(-2) 4.335e-24 HS- 2.614e-24 2.140e-24 -23.583 -23.670 -0.087 21.29 H2S 1.720e-24 1.737e-24 -23.764 -23.760 0.004 37.22 S-2 1.236e-29 5.893e-30 -28.908 -29.230 -0.322 (0) S(6) 1.538e-02 SO4-2 1.039e-02 4.931e-03 -1.984 -2.307 -0.324 16.56 CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06 HSO4- 1.348e-07 1.114e-07 -6.870 -6.953 -0.083 36.21 CaHSO4+ 8.149e-09 6.733e-09 -8.089 -8.172 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(317 K, 1 atm) Anhydrite -0.15 -4.61 -4.46 CaSO4 Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -1.05 -0.00 1.05 H2O H2S(g) -22.54 -30.50 -7.96 H2S O2(g) -54.38 -57.39 -3.00 O2 Sulfur -16.84 -12.37 4.46 S Reaction step 21. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.14 -4.61 -4.47 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.537e-02 1.482e-02 S 1.537e-02 1.482e-02 ----------------------------Description of solution---------------------------- pH = 6.815 Charge balance pe = -1.125 Adjusted to redox equilibrium Specific Conductance (uS/cm, 45 oC) = 3171 Density (g/cm3) = 0.99226 Activity of water = 1.000 Ionic strength = 4.147e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 45.00 Electrical balance (eq) = -2.175e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070717e+02 Total O = 5.359514e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.221e-07 2.635e-07 -6.492 -6.579 -0.087 -3.40 H+ 1.785e-07 1.530e-07 -6.748 -6.815 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.19 Ca 1.537e-02 Ca+2 1.037e-02 5.015e-03 -1.984 -2.300 -0.315 -17.17 CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08 CaHSO4+ 8.528e-09 7.046e-09 -8.069 -8.152 -0.083 (0) CaOH+ 6.584e-09 5.439e-09 -8.182 -8.264 -0.083 (0) H(0) 4.834e-15 H2 2.417e-15 2.440e-15 -14.617 -14.613 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -57.111 -57.107 0.004 31.67 S(-2) 3.449e-24 HS- 2.075e-24 1.698e-24 -23.683 -23.770 -0.087 21.30 H2S 1.373e-24 1.387e-24 -23.862 -23.858 0.004 37.23 S-2 1.016e-29 4.840e-30 -28.993 -29.315 -0.322 (0) S(6) 1.537e-02 SO4-2 1.037e-02 4.918e-03 -1.984 -2.308 -0.324 16.57 CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08 HSO4- 1.415e-07 1.169e-07 -6.849 -6.932 -0.083 36.24 CaHSO4+ 8.528e-09 7.046e-09 -8.069 -8.152 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(318 K, 1 atm) Anhydrite -0.14 -4.61 -4.47 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -1.03 -0.00 1.03 H2O H2S(g) -22.63 -30.59 -7.95 H2S O2(g) -54.10 -57.11 -3.01 O2 Sulfur -16.92 -12.48 4.44 S Reaction step 22. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.12 -4.61 -4.49 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.535e-02 1.481e-02 S 1.535e-02 1.481e-02 ----------------------------Description of solution---------------------------- pH = 6.804 Charge balance pe = -1.114 Adjusted to redox equilibrium Specific Conductance (uS/cm, 46 oC) = 3220 Density (g/cm3) = 0.99184 Activity of water = 1.000 Ionic strength = 4.139e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 46.00 Electrical balance (eq) = -2.183e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070717e+02 Total O = 5.359505e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.343e-07 2.734e-07 -6.476 -6.563 -0.087 -3.40 H+ 1.831e-07 1.569e-07 -6.737 -6.804 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.20 Ca 1.535e-02 Ca+2 1.035e-02 5.001e-03 -1.985 -2.301 -0.316 -17.16 CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11 CaHSO4+ 8.922e-09 7.369e-09 -8.050 -8.133 -0.083 (0) CaOH+ 6.401e-09 5.287e-09 -8.194 -8.277 -0.083 (0) H(0) 4.804e-15 H2 2.402e-15 2.425e-15 -14.619 -14.615 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.823 -56.819 0.004 31.72 S(-2) 2.652e-24 HS- 1.592e-24 1.302e-24 -23.798 -23.885 -0.087 21.31 H2S 1.060e-24 1.070e-24 -23.975 -23.971 0.004 37.23 S-2 8.076e-30 3.842e-30 -29.093 -29.415 -0.323 (0) S(6) 1.535e-02 SO4-2 1.035e-02 4.904e-03 -1.985 -2.309 -0.324 16.57 CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11 HSO4- 1.484e-07 1.226e-07 -6.829 -6.912 -0.083 36.26 CaHSO4+ 8.922e-09 7.369e-09 -8.050 -8.133 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(319 K, 1 atm) Anhydrite -0.12 -4.61 -4.49 CaSO4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O H2(g) -11.48 -14.62 -3.13 H2 H2O(g) -1.00 -0.00 1.00 H2O H2S(g) -22.74 -30.69 -7.95 H2S O2(g) -53.81 -56.82 -3.01 O2 Sulfur -17.01 -12.59 4.42 S Reaction step 23. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.11 -4.61 -4.50 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.533e-02 1.479e-02 S 1.533e-02 1.479e-02 ----------------------------Description of solution---------------------------- pH = 6.793 Charge balance pe = -1.106 Adjusted to redox equilibrium Specific Conductance (uS/cm, 47 oC) = 3269 Density (g/cm3) = 0.99140 Activity of water = 1.000 Ionic strength = 4.130e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 47.00 Electrical balance (eq) = -2.199e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.070716e+02 Total O = 5.359495e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.468e-07 2.836e-07 -6.460 -6.547 -0.087 -3.40 H+ 1.878e-07 1.609e-07 -6.726 -6.793 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.21 Ca 1.533e-02 Ca+2 1.033e-02 4.986e-03 -1.986 -2.302 -0.316 -17.16 CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13 CaHSO4+ 9.330e-09 7.704e-09 -8.030 -8.113 -0.083 (0) CaOH+ 6.225e-09 5.140e-09 -8.206 -8.289 -0.083 (0) H(0) 4.814e-15 H2 2.407e-15 2.430e-15 -14.619 -14.614 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.544 -56.540 0.004 31.77 S(-2) 2.110e-24 HS- 1.264e-24 1.033e-24 -23.898 -23.986 -0.087 21.32 H2S 8.464e-25 8.545e-25 -24.072 -24.068 0.004 37.23 S-2 6.639e-30 3.156e-30 -29.178 -29.501 -0.323 (0) S(6) 1.533e-02 SO4-2 1.032e-02 4.890e-03 -1.986 -2.311 -0.325 16.57 CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13 HSO4- 1.556e-07 1.285e-07 -6.808 -6.891 -0.083 36.29 CaHSO4+ 9.330e-09 7.704e-09 -8.030 -8.113 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(320 K, 1 atm) Anhydrite -0.11 -4.61 -4.50 CaSO4 Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O H2(g) -11.48 -14.61 -3.13 H2 H2O(g) -0.98 -0.00 0.98 H2O H2S(g) -22.83 -30.78 -7.95 H2S O2(g) -53.52 -56.54 -3.02 O2 Sulfur -17.10 -12.69 4.40 S Reaction step 24. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.10 -4.62 -4.51 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.852e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.531e-02 1.477e-02 S 1.531e-02 1.477e-02 ----------------------------Description of solution---------------------------- pH = 6.783 Charge balance pe = -1.099 Adjusted to redox equilibrium Specific Conductance (uS/cm, 48 oC) = 3317 Density (g/cm3) = 0.99097 Activity of water = 1.000 Ionic strength = 4.121e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 48.00 Electrical balance (eq) = -2.196e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070715e+02 Total O = 5.359483e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.597e-07 2.941e-07 -6.444 -6.531 -0.087 -3.41 H+ 1.926e-07 1.650e-07 -6.715 -6.783 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.22 Ca 1.531e-02 Ca+2 1.030e-02 4.971e-03 -1.987 -2.304 -0.316 -17.15 CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15 CaHSO4+ 9.753e-09 8.051e-09 -8.011 -8.094 -0.083 (0) CaOH+ 6.055e-09 4.999e-09 -8.218 -8.301 -0.083 (0) H(0) 4.858e-15 H2 2.429e-15 2.452e-15 -14.615 -14.610 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -56.273 -56.268 0.004 31.83 S(-2) 1.730e-24 HS- 1.033e-24 8.449e-25 -23.986 -24.073 -0.087 21.32 H2S 6.964e-25 7.031e-25 -24.157 -24.153 0.004 37.23 S-2 5.622e-30 2.671e-30 -29.250 -29.573 -0.323 (0) S(6) 1.531e-02 SO4-2 1.030e-02 4.875e-03 -1.987 -2.312 -0.325 16.56 CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15 HSO4- 1.632e-07 1.347e-07 -6.787 -6.871 -0.083 36.31 CaHSO4+ 9.753e-09 8.051e-09 -8.011 -8.094 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(321 K, 1 atm) Anhydrite -0.10 -4.62 -4.51 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O H2(g) -11.48 -14.61 -3.14 H2 H2O(g) -0.96 -0.00 0.96 H2O H2S(g) -22.91 -30.86 -7.95 H2S O2(g) -53.25 -56.27 -3.02 O2 Sulfur -17.17 -12.78 4.38 S Reaction step 25. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.09 -4.62 -4.53 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.529e-02 1.475e-02 S 1.529e-02 1.475e-02 ----------------------------Description of solution---------------------------- pH = 6.772 Charge balance pe = -1.089 Adjusted to redox equilibrium Specific Conductance (uS/cm, 49 oC) = 3365 Density (g/cm3) = 0.99052 Activity of water = 1.000 Ionic strength = 4.111e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 49.00 Electrical balance (eq) = -2.202e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 16 Total H = 1.070714e+02 Total O = 5.359470e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.730e-07 3.049e-07 -6.428 -6.516 -0.088 -3.41 H+ 1.974e-07 1.691e-07 -6.705 -6.772 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.23 Ca 1.529e-02 Ca+2 1.028e-02 4.955e-03 -1.988 -2.305 -0.317 -17.14 CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17 CaHSO4+ 1.019e-08 8.411e-09 -7.992 -8.075 -0.083 (0) CaOH+ 5.892e-09 4.863e-09 -8.230 -8.313 -0.083 (0) H(0) 4.835e-15 H2 2.417e-15 2.440e-15 -14.617 -14.613 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.991 -55.987 0.004 31.88 S(-2) 1.342e-24 HS- 7.997e-25 6.537e-25 -24.097 -24.185 -0.088 21.33 H2S 5.423e-25 5.475e-25 -24.266 -24.262 0.004 37.23 S-2 4.505e-30 2.138e-30 -29.346 -29.670 -0.324 (0) S(6) 1.529e-02 SO4-2 1.028e-02 4.860e-03 -1.988 -2.313 -0.325 16.55 CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17 HSO4- 1.710e-07 1.412e-07 -6.767 -6.850 -0.083 36.33 CaHSO4+ 1.019e-08 8.411e-09 -7.992 -8.075 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(322 K, 1 atm) Anhydrite -0.09 -4.62 -4.53 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O H2(g) -11.48 -14.61 -3.14 H2 H2O(g) -0.94 -0.00 0.94 H2O H2S(g) -23.01 -30.96 -7.95 H2S O2(g) -52.96 -55.99 -3.03 O2 Sulfur -17.26 -12.90 4.36 S Reaction step 26. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.08 -4.62 -4.54 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.526e-02 1.472e-02 S 1.526e-02 1.472e-02 ----------------------------Description of solution---------------------------- pH = 6.761 Charge balance pe = 9.533 Adjusted to redox equilibrium Specific Conductance (uS/cm, 50 oC) = 3413 Density (g/cm3) = 0.99007 Activity of water = 1.000 Ionic strength = 4.101e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 50.00 Electrical balance (eq) = -2.347e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 44 Total H = 1.070713e+02 Total O = 5.359455e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 3.866e-07 3.160e-07 -6.413 -6.500 -0.088 -3.42 H+ 2.023e-07 1.732e-07 -6.694 -6.761 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.23 Ca 1.526e-02 Ca+2 1.025e-02 4.939e-03 -1.989 -2.306 -0.317 -17.14 CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19 CaHSO4+ 1.064e-08 8.782e-09 -7.973 -8.056 -0.083 (0) CaOH+ 5.733e-09 4.731e-09 -8.242 -8.325 -0.083 (0) H(0) 2.868e-36 H2 1.434e-36 1.448e-36 -35.843 -35.839 0.004 28.59 O(0) 1.094e-13 O2 5.471e-14 5.523e-14 -13.262 -13.258 0.004 31.92 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -109.106 -109.194 -0.088 21.33 H2S 0.000e+00 0.000e+00 -109.272 -109.268 0.004 37.24 S-2 0.000e+00 0.000e+00 -114.340 -114.664 -0.324 (0) S(6) 1.526e-02 SO4-2 1.025e-02 4.845e-03 -1.989 -2.315 -0.326 16.53 CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19 HSO4- 1.792e-07 1.479e-07 -6.747 -6.830 -0.083 36.35 CaHSO4+ 1.064e-08 8.782e-09 -7.973 -8.056 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(323 K, 1 atm) Anhydrite -0.08 -4.62 -4.54 CaSO4 Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O H2(g) -32.70 -35.84 -3.14 H2 H2O(g) -0.92 -0.00 0.92 H2O H2S(g) -108.01 -115.96 -7.95 H2S O2(g) -10.23 -13.26 -3.03 O2 Sulfur -81.02 -76.68 4.34 S Reaction step 27. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.07 -4.62 -4.55 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.524e-02 1.470e-02 S 1.524e-02 1.470e-02 ----------------------------Description of solution---------------------------- pH = 6.751 Charge balance pe = -1.073 Adjusted to redox equilibrium Specific Conductance (uS/cm, 51 oC) = 3460 Density (g/cm3) = 0.98961 Activity of water = 1.000 Ionic strength = 4.090e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 51.00 Electrical balance (eq) = -2.206e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.070712e+02 Total O = 5.359439e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.007e-07 3.274e-07 -6.397 -6.485 -0.088 -3.43 H+ 2.072e-07 1.774e-07 -6.684 -6.751 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.24 Ca 1.524e-02 Ca+2 1.023e-02 4.923e-03 -1.990 -2.308 -0.317 -17.14 CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21 CaHSO4+ 1.111e-08 9.167e-09 -7.954 -8.038 -0.084 (0) CaOH+ 5.581e-09 4.604e-09 -8.253 -8.337 -0.084 (0) H(0) 4.862e-15 H2 2.431e-15 2.454e-15 -14.614 -14.610 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.446 -55.442 0.004 31.97 S(-2) 8.627e-25 HS- 5.113e-25 4.179e-25 -24.291 -24.379 -0.088 21.34 H2S 3.513e-25 3.547e-25 -24.454 -24.450 0.004 37.24 S-2 3.089e-30 1.464e-30 -29.510 -29.834 -0.324 (0) S(6) 1.524e-02 SO4-2 1.023e-02 4.829e-03 -1.990 -2.316 -0.326 16.51 CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21 HSO4- 1.877e-07 1.549e-07 -6.726 -6.810 -0.084 36.37 CaHSO4+ 1.111e-08 9.167e-09 -7.954 -8.038 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(324 K, 1 atm) Anhydrite -0.07 -4.62 -4.55 CaSO4 Gypsum -0.00 -4.62 -4.62 CaSO4:2H2O H2(g) -11.47 -14.61 -3.14 H2 H2O(g) -0.89 -0.00 0.89 H2O H2S(g) -23.18 -31.13 -7.95 H2S O2(g) -52.41 -55.44 -3.03 O2 Sulfur -17.42 -13.09 4.32 S Reaction step 28. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.06 -4.63 -4.57 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.853e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.521e-02 1.467e-02 S 1.521e-02 1.467e-02 ----------------------------Description of solution---------------------------- pH = 6.741 Charge balance pe = -1.063 Adjusted to redox equilibrium Specific Conductance (uS/cm, 52 oC) = 3507 Density (g/cm3) = 0.98914 Activity of water = 1.000 Ionic strength = 4.079e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 52.00 Electrical balance (eq) = -2.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 18 Total H = 1.070711e+02 Total O = 5.359422e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.151e-07 3.392e-07 -6.382 -6.470 -0.088 -3.44 H+ 2.121e-07 1.816e-07 -6.673 -6.741 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.25 Ca 1.521e-02 Ca+2 1.020e-02 4.906e-03 -1.991 -2.309 -0.318 -17.14 CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23 CaHSO4+ 1.160e-08 9.564e-09 -7.936 -8.019 -0.084 (0) CaOH+ 5.434e-09 4.482e-09 -8.265 -8.349 -0.084 (0) H(0) 4.837e-15 H2 2.418e-15 2.441e-15 -14.616 -14.612 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -55.170 -55.166 0.004 32.02 S(-2) 6.706e-25 HS- 3.964e-25 3.239e-25 -24.402 -24.490 -0.088 21.34 H2S 2.742e-25 2.768e-25 -24.562 -24.558 0.004 37.24 S-2 2.479e-30 1.174e-30 -29.606 -29.930 -0.325 (0) S(6) 1.521e-02 SO4-2 1.020e-02 4.812e-03 -1.991 -2.318 -0.326 16.49 CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23 HSO4- 1.966e-07 1.621e-07 -6.706 -6.790 -0.084 36.39 CaHSO4+ 1.160e-08 9.564e-09 -7.936 -8.019 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(325 K, 1 atm) Anhydrite -0.06 -4.63 -4.57 CaSO4 Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O H2(g) -11.48 -14.61 -3.14 H2 H2O(g) -0.87 -0.00 0.87 H2O H2S(g) -23.29 -31.23 -7.94 H2S O2(g) -52.13 -55.17 -3.04 O2 Sulfur -17.51 -13.20 4.30 S Reaction step 29. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.05 -4.63 -4.58 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.854e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.517e-02 1.464e-02 S 1.517e-02 1.464e-02 ----------------------------Description of solution---------------------------- pH = 6.731 Charge balance pe = -1.054 Adjusted to redox equilibrium Specific Conductance (uS/cm, 53 oC) = 3554 Density (g/cm3) = 0.98867 Activity of water = 1.000 Ionic strength = 4.068e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 53.00 Electrical balance (eq) = -2.207e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.070710e+02 Total O = 5.359403e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.300e-07 3.512e-07 -6.367 -6.454 -0.088 -3.45 H+ 2.171e-07 1.858e-07 -6.663 -6.731 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.26 Ca 1.517e-02 Ca+2 1.017e-02 4.889e-03 -1.993 -2.311 -0.318 -17.14 CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25 CaHSO4+ 1.210e-08 9.975e-09 -7.917 -8.001 -0.084 (0) CaOH+ 5.291e-09 4.364e-09 -8.276 -8.360 -0.084 (0) H(0) 4.816e-15 H2 2.408e-15 2.431e-15 -14.618 -14.614 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.895 -54.891 0.004 32.07 S(-2) 5.242e-25 HS- 3.090e-25 2.524e-25 -24.510 -24.598 -0.088 21.34 H2S 2.152e-25 2.172e-25 -24.667 -24.663 0.004 37.24 S-2 2.001e-30 9.471e-31 -29.699 -30.024 -0.325 (0) S(6) 1.517e-02 SO4-2 1.017e-02 4.796e-03 -1.993 -2.319 -0.326 16.46 CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25 HSO4- 2.058e-07 1.697e-07 -6.687 -6.770 -0.084 36.41 CaHSO4+ 1.210e-08 9.975e-09 -7.917 -8.001 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(326 K, 1 atm) Anhydrite -0.05 -4.63 -4.58 CaSO4 Gypsum -0.00 -4.63 -4.63 CaSO4:2H2O H2(g) -11.48 -14.61 -3.14 H2 H2O(g) -0.85 -0.00 0.85 H2O H2S(g) -23.39 -31.33 -7.94 H2S O2(g) -51.85 -54.89 -3.04 O2 Sulfur -17.59 -13.31 4.28 S Reaction step 30. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.04 -4.63 -4.59 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.854e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.514e-02 1.460e-02 S 1.514e-02 1.460e-02 ----------------------------Description of solution---------------------------- pH = 6.721 Charge balance pe = -1.055 Adjusted to redox equilibrium Specific Conductance (uS/cm, 54 oC) = 3600 Density (g/cm3) = 0.98819 Activity of water = 1.000 Ionic strength = 4.056e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 54.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.070708e+02 Total O = 5.359383e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.452e-07 3.637e-07 -6.351 -6.439 -0.088 -3.47 H+ 2.222e-07 1.901e-07 -6.653 -6.721 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.27 Ca 1.514e-02 Ca+2 1.014e-02 4.871e-03 -1.994 -2.312 -0.318 -17.14 CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27 CaHSO4+ 1.261e-08 1.040e-08 -7.899 -7.983 -0.084 (0) CaOH+ 5.154e-09 4.250e-09 -8.288 -8.372 -0.084 (0) H(0) 5.012e-15 H2 2.506e-15 2.530e-15 -14.601 -14.597 0.004 28.59 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.661 -54.657 0.004 32.11 S(-2) 4.892e-25 HS- 2.876e-25 2.349e-25 -24.541 -24.629 -0.088 21.34 H2S 2.017e-25 2.035e-25 -24.695 -24.691 0.004 37.24 S-2 1.928e-30 9.120e-31 -29.715 -30.040 -0.325 (0) S(6) 1.514e-02 SO4-2 1.014e-02 4.779e-03 -1.994 -2.321 -0.327 16.43 CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27 HSO4- 2.153e-07 1.776e-07 -6.667 -6.751 -0.084 36.42 CaHSO4+ 1.261e-08 1.040e-08 -7.899 -7.983 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(327 K, 1 atm) Anhydrite -0.04 -4.63 -4.59 CaSO4 Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O H2(g) -11.46 -14.60 -3.14 H2 H2O(g) -0.83 -0.00 0.83 H2O H2S(g) -23.41 -31.35 -7.94 H2S O2(g) -51.61 -54.66 -3.05 O2 Sulfur -17.62 -13.36 4.26 S Reaction step 31. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.03 -4.64 -4.61 1.000e+00 0 -1.000e+00 Gypsum 0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.854e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.510e-02 1.457e-02 S 1.510e-02 1.457e-02 ----------------------------Description of solution---------------------------- pH = 6.711 Charge balance pe = 9.235 Adjusted to redox equilibrium Specific Conductance (uS/cm, 55 oC) = 3646 Density (g/cm3) = 0.98770 Activity of water = 1.000 Ionic strength = 4.043e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 55.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 50 Total H = 1.070707e+02 Total O = 5.359361e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.609e-07 3.764e-07 -6.336 -6.424 -0.088 -3.48 H+ 2.273e-07 1.945e-07 -6.643 -6.711 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.28 Ca 1.510e-02 Ca+2 1.011e-02 4.853e-03 -1.995 -2.314 -0.319 -17.14 CaSO4 4.994e-03 5.041e-03 -2.302 -2.297 0.004 8.29 CaHSO4+ 1.314e-08 1.084e-08 -7.881 -7.965 -0.084 (0) CaOH+ 5.022e-09 4.140e-09 -8.299 -8.383 -0.084 (0) H(0) 1.370e-35 H2 6.851e-36 6.915e-36 -35.164 -35.160 0.004 28.58 O(0) 1.081e-13 O2 5.403e-14 5.453e-14 -13.267 -13.263 0.004 32.16 S(-2) 0.000e+00 HS- 0.000e+00 0.000e+00 -106.894 -106.982 -0.088 21.34 H2S 0.000e+00 0.000e+00 -107.045 -107.041 0.004 37.25 S-2 0.000e+00 0.000e+00 -112.053 -112.378 -0.325 (0) S(6) 1.510e-02 SO4-2 1.011e-02 4.761e-03 -1.995 -2.322 -0.327 16.40 CaSO4 4.994e-03 5.041e-03 -2.302 -2.297 0.004 8.29 HSO4- 2.253e-07 1.857e-07 -6.647 -6.731 -0.084 36.43 CaHSO4+ 1.314e-08 1.084e-08 -7.881 -7.965 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(328 K, 1 atm) Anhydrite -0.03 -4.64 -4.61 CaSO4 Gypsum 0.00 -4.64 -4.64 CaSO4:2H2O H2(g) -32.02 -35.16 -3.14 H2 H2O(g) -0.81 -0.00 0.81 H2O H2S(g) -105.75 -113.69 -7.94 H2S O2(g) -10.21 -13.26 -3.05 O2 Sulfur -79.39 -75.15 4.25 S Reaction step 32. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.02 -4.64 -4.62 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.855e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.506e-02 1.453e-02 S 1.506e-02 1.453e-02 ----------------------------Description of solution---------------------------- pH = 6.702 Charge balance pe = -1.032 Adjusted to redox equilibrium Specific Conductance (uS/cm, 56 oC) = 3691 Density (g/cm3) = 0.98721 Activity of water = 1.000 Ionic strength = 4.030e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 56.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.070705e+02 Total O = 5.359339e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.771e-07 3.895e-07 -6.321 -6.409 -0.088 -3.50 H+ 2.324e-07 1.988e-07 -6.634 -6.702 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.29 Ca 1.506e-02 Ca+2 1.008e-02 4.834e-03 -1.997 -2.316 -0.319 -17.15 CaSO4 4.987e-03 5.034e-03 -2.302 -2.298 0.004 8.31 CaHSO4+ 1.369e-08 1.129e-08 -7.863 -7.947 -0.084 (0) CaOH+ 4.894e-09 4.033e-09 -8.310 -8.394 -0.084 (0) H(0) 4.856e-15 H2 2.428e-15 2.451e-15 -14.615 -14.611 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -54.101 -54.097 0.004 32.20 S(-2) 2.740e-25 HS- 1.601e-25 1.307e-25 -24.796 -24.884 -0.088 21.33 H2S 1.139e-25 1.149e-25 -24.944 -24.940 0.004 37.25 S-2 1.150e-30 5.436e-31 -29.939 -30.265 -0.326 (0) S(6) 1.506e-02 SO4-2 1.008e-02 4.743e-03 -1.997 -2.324 -0.327 16.36 CaSO4 4.987e-03 5.034e-03 -2.302 -2.298 0.004 8.31 HSO4- 2.356e-07 1.942e-07 -6.628 -6.712 -0.084 36.45 CaHSO4+ 1.369e-08 1.129e-08 -7.863 -7.947 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(329 K, 1 atm) Anhydrite -0.02 -4.64 -4.62 CaSO4 Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O H2(g) -11.47 -14.61 -3.14 H2 H2O(g) -0.79 -0.00 0.79 H2O H2S(g) -23.64 -31.59 -7.94 H2S O2(g) -51.04 -54.10 -3.05 O2 Sulfur -17.83 -13.60 4.23 S Reaction step 33. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.01 -4.64 -4.64 1.000e+00 0 -1.000e+00 Gypsum -0.00 -4.64 -4.64 1.000e+00 1.986e+00 9.855e-01 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.502e-02 1.449e-02 S 1.502e-02 1.449e-02 ----------------------------Description of solution---------------------------- pH = 6.692 Charge balance pe = -1.023 Adjusted to redox equilibrium Specific Conductance (uS/cm, 57 oC) = 3736 Density (g/cm3) = 0.98671 Activity of water = 1.000 Ionic strength = 4.017e-02 Mass of water (kg) = 9.645e-01 Total alkalinity (eq/kg) = 2.289e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 57.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.070704e+02 Total O = 5.359315e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 4.936e-07 4.030e-07 -6.307 -6.395 -0.088 -3.52 H+ 2.376e-07 2.032e-07 -6.624 -6.692 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.30 Ca 1.502e-02 Ca+2 1.004e-02 4.816e-03 -1.998 -2.317 -0.319 -17.16 CaSO4 4.979e-03 5.026e-03 -2.303 -2.299 0.004 8.32 CaHSO4+ 1.426e-08 1.175e-08 -7.846 -7.930 -0.084 (0) CaOH+ 4.770e-09 3.931e-09 -8.321 -8.406 -0.084 (0) H(0) 4.820e-15 H2 2.410e-15 2.432e-15 -14.618 -14.614 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.830 -53.826 0.004 32.25 S(-2) 2.124e-25 HS- 1.238e-25 1.011e-25 -24.907 -24.995 -0.088 21.33 H2S 8.866e-26 8.949e-26 -25.052 -25.048 0.004 37.25 S-2 9.205e-31 4.347e-31 -30.036 -30.362 -0.326 (0) S(6) 1.502e-02 SO4-2 1.004e-02 4.725e-03 -1.998 -2.326 -0.327 16.31 CaSO4 4.979e-03 5.026e-03 -2.303 -2.299 0.004 8.32 HSO4- 2.463e-07 2.030e-07 -6.608 -6.693 -0.084 36.46 CaHSO4+ 1.426e-08 1.175e-08 -7.846 -7.930 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(330 K, 1 atm) Anhydrite -0.01 -4.64 -4.64 CaSO4 Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O H2(g) -11.48 -14.61 -3.14 H2 H2O(g) -0.77 -0.00 0.77 H2O H2S(g) -23.75 -31.69 -7.94 H2S O2(g) -50.77 -53.83 -3.06 O2 Sulfur -17.92 -13.71 4.21 S Reaction step 34. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.65 -4.65 1.000e+00 1.985e+00 9.846e-01 Gypsum -0.00 -4.65 -4.65 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.489e-02 1.543e-02 S 1.489e-02 1.543e-02 ----------------------------Description of solution---------------------------- pH = 6.682 Charge balance pe = -1.000 Adjusted to redox equilibrium Specific Conductance (uS/cm, 58 oC) = 3763 Density (g/cm3) = 0.98619 Activity of water = 1.000 Ionic strength = 3.983e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 58.00 Electrical balance (eq) = -2.268e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756793e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.100e-07 4.165e-07 -6.292 -6.380 -0.088 -3.54 H+ 2.430e-07 2.079e-07 -6.614 -6.682 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.30 Ca 1.489e-02 Ca+2 9.958e-03 4.779e-03 -2.002 -2.321 -0.319 -17.16 CaSO4 4.934e-03 4.980e-03 -2.307 -2.303 0.004 8.34 CaHSO4+ 1.475e-08 1.216e-08 -7.831 -7.915 -0.084 (0) CaOH+ 4.627e-09 3.814e-09 -8.335 -8.419 -0.084 (0) H(0) 4.500e-15 H2 2.250e-15 2.271e-15 -14.648 -14.644 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.508 -53.504 0.004 32.29 S(-2) 1.287e-25 HS- 7.469e-26 6.100e-26 -25.127 -25.215 -0.088 21.32 H2S 5.397e-26 5.447e-26 -25.268 -25.264 0.004 37.25 S-2 5.739e-31 2.713e-31 -30.241 -30.567 -0.325 (0) S(6) 1.489e-02 SO4-2 9.958e-03 4.689e-03 -2.002 -2.329 -0.327 16.27 CaSO4 4.934e-03 4.980e-03 -2.307 -2.303 0.004 8.34 HSO4- 2.567e-07 2.116e-07 -6.591 -6.675 -0.084 36.47 CaHSO4+ 1.475e-08 1.216e-08 -7.831 -7.915 -0.084 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(331 K, 1 atm) Anhydrite -0.00 -4.65 -4.65 CaSO4 Gypsum -0.00 -4.65 -4.65 CaSO4:2H2O H2(g) -11.50 -14.64 -3.14 H2 H2O(g) -0.75 -0.00 0.75 H2O H2S(g) -23.96 -31.90 -7.94 H2S O2(g) -50.45 -53.50 -3.06 O2 Sulfur -18.09 -13.90 4.19 S Reaction step 35. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.66 -4.66 1.000e+00 1.985e+00 9.849e-01 Gypsum -0.01 -4.66 -4.65 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.457e-02 1.509e-02 S 1.457e-02 1.509e-02 ----------------------------Description of solution---------------------------- pH = 6.672 Charge balance pe = -0.990 Adjusted to redox equilibrium Specific Conductance (uS/cm, 59 oC) = 3752 Density (g/cm3) = 0.98564 Activity of water = 1.000 Ionic strength = 3.904e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 59.00 Electrical balance (eq) = -2.259e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756659e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.251e-07 4.294e-07 -6.280 -6.367 -0.087 -3.57 H+ 2.488e-07 2.130e-07 -6.604 -6.672 -0.068 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.31 Ca 1.457e-02 Ca+2 9.760e-03 4.702e-03 -2.011 -2.328 -0.317 -17.18 CaSO4 4.809e-03 4.852e-03 -2.318 -2.314 0.004 8.36 CaHSO4+ 1.501e-08 1.239e-08 -7.824 -7.907 -0.083 (0) CaOH+ 4.439e-09 3.662e-09 -8.353 -8.436 -0.083 (0) H(0) 4.489e-15 H2 2.245e-15 2.265e-15 -14.649 -14.645 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -53.245 -53.241 0.004 32.34 S(-2) 1.011e-25 HS- 5.841e-26 4.776e-26 -25.234 -25.321 -0.087 21.31 H2S 4.272e-26 4.311e-26 -25.369 -25.365 0.004 37.25 S-2 4.616e-31 2.191e-31 -30.336 -30.659 -0.324 (0) S(6) 1.457e-02 SO4-2 9.760e-03 4.616e-03 -2.011 -2.336 -0.325 16.21 CaSO4 4.809e-03 4.852e-03 -2.318 -2.314 0.004 8.36 HSO4- 2.656e-07 2.191e-07 -6.576 -6.659 -0.083 36.47 CaHSO4+ 1.501e-08 1.239e-08 -7.824 -7.907 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(332 K, 1 atm) Anhydrite 0.00 -4.66 -4.66 CaSO4 Gypsum -0.01 -4.66 -4.65 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.73 -0.00 0.73 H2O H2S(g) -24.05 -31.99 -7.94 H2S O2(g) -50.18 -53.24 -3.06 O2 Sulfur -18.17 -14.00 4.17 S Reaction step 36. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.68 -4.68 1.000e+00 1.985e+00 9.852e-01 Gypsum -0.02 -4.68 -4.65 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.425e-02 1.477e-02 S 1.425e-02 1.477e-02 ----------------------------Description of solution---------------------------- pH = 6.661 Charge balance pe = -0.982 Adjusted to redox equilibrium Specific Conductance (uS/cm, 60 oC) = 3740 Density (g/cm3) = 0.98509 Activity of water = 1.000 Ionic strength = 3.827e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 60.00 Electrical balance (eq) = -2.251e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756528e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.406e-07 4.426e-07 -6.267 -6.354 -0.087 -3.59 H+ 2.547e-07 2.181e-07 -6.594 -6.661 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.32 Ca 1.425e-02 Ca+2 9.566e-03 4.626e-03 -2.019 -2.335 -0.316 -17.19 CaSO4 4.685e-03 4.727e-03 -2.329 -2.325 0.004 8.37 CaHSO4+ 1.528e-08 1.262e-08 -7.816 -7.899 -0.083 (0) CaOH+ 4.259e-09 3.518e-09 -8.371 -8.454 -0.083 (0) H(0) 4.511e-15 H2 2.255e-15 2.275e-15 -14.647 -14.643 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.990 -52.986 0.004 32.38 S(-2) 8.188e-26 HS- 4.705e-26 3.852e-26 -25.327 -25.414 -0.087 21.30 H2S 3.483e-26 3.514e-26 -25.458 -25.454 0.004 37.26 S-2 3.824e-31 1.823e-31 -30.417 -30.739 -0.322 (0) S(6) 1.425e-02 SO4-2 9.566e-03 4.543e-03 -2.019 -2.343 -0.323 16.15 CaSO4 4.685e-03 4.727e-03 -2.329 -2.325 0.004 8.37 HSO4- 2.747e-07 2.269e-07 -6.561 -6.644 -0.083 36.48 CaHSO4+ 1.528e-08 1.262e-08 -7.816 -7.899 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(333 K, 1 atm) Anhydrite -0.00 -4.68 -4.68 CaSO4 Gypsum -0.02 -4.68 -4.65 CaSO4:2H2O H2(g) -11.50 -14.64 -3.14 H2 H2O(g) -0.71 -0.00 0.71 H2O H2S(g) -24.14 -32.08 -7.94 H2S O2(g) -49.92 -52.99 -3.06 O2 Sulfur -18.25 -14.10 4.15 S Reaction step 37. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.69 -4.69 1.000e+00 1.986e+00 9.856e-01 Gypsum -0.03 -4.69 -4.66 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.394e-02 1.444e-02 S 1.394e-02 1.444e-02 ----------------------------Description of solution---------------------------- pH = 6.651 Charge balance pe = -0.973 Adjusted to redox equilibrium Specific Conductance (uS/cm, 61 oC) = 3727 Density (g/cm3) = 0.98453 Activity of water = 1.000 Ionic strength = 3.750e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 61.00 Electrical balance (eq) = -2.244e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756399e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.563e-07 4.560e-07 -6.255 -6.341 -0.086 -3.62 H+ 2.606e-07 2.234e-07 -6.584 -6.651 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.33 Ca 1.394e-02 Ca+2 9.376e-03 4.551e-03 -2.028 -2.342 -0.314 -17.21 CaSO4 4.565e-03 4.604e-03 -2.341 -2.337 0.004 8.39 CaHSO4+ 1.554e-08 1.285e-08 -7.808 -7.891 -0.083 (0) CaOH+ 4.088e-09 3.380e-09 -8.389 -8.471 -0.083 (0) H(0) 4.495e-15 H2 2.248e-15 2.267e-15 -14.648 -14.645 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.729 -52.725 0.004 32.42 S(-2) 6.423e-26 HS- 3.672e-26 3.010e-26 -25.435 -25.522 -0.086 21.29 H2S 2.752e-26 2.776e-26 -25.560 -25.557 0.004 37.26 S-2 3.069e-31 1.469e-31 -30.513 -30.833 -0.320 (0) S(6) 1.394e-02 SO4-2 9.375e-03 4.471e-03 -2.028 -2.350 -0.322 16.08 CaSO4 4.565e-03 4.604e-03 -2.341 -2.337 0.004 8.39 HSO4- 2.841e-07 2.349e-07 -6.547 -6.629 -0.083 36.48 CaHSO4+ 1.554e-08 1.285e-08 -7.808 -7.891 -0.083 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(334 K, 1 atm) Anhydrite -0.00 -4.69 -4.69 CaSO4 Gypsum -0.03 -4.69 -4.66 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.69 -0.00 0.69 H2O H2S(g) -24.24 -32.17 -7.94 H2S O2(g) -49.66 -52.72 -3.07 O2 Sulfur -18.33 -14.20 4.13 S Reaction step 38. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.71 -4.71 1.000e+00 1.986e+00 9.859e-01 Gypsum -0.04 -4.71 -4.66 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.364e-02 1.413e-02 S 1.364e-02 1.413e-02 ----------------------------Description of solution---------------------------- pH = 6.641 Charge balance pe = -0.964 Adjusted to redox equilibrium Specific Conductance (uS/cm, 62 oC) = 3713 Density (g/cm3) = 0.98397 Activity of water = 1.000 Ionic strength = 3.675e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 62.00 Electrical balance (eq) = -2.238e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756272e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.724e-07 4.698e-07 -6.242 -6.328 -0.086 -3.65 H+ 2.666e-07 2.287e-07 -6.574 -6.641 -0.067 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.34 Ca 1.364e-02 Ca+2 9.188e-03 4.477e-03 -2.037 -2.349 -0.312 -17.23 CaSO4 4.447e-03 4.484e-03 -2.352 -2.348 0.004 8.41 CaHSO4+ 1.581e-08 1.308e-08 -7.801 -7.883 -0.082 (0) CaOH+ 3.924e-09 3.248e-09 -8.406 -8.488 -0.082 (0) H(0) 4.489e-15 H2 2.244e-15 2.263e-15 -14.649 -14.645 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.471 -52.467 0.004 32.47 S(-2) 5.085e-26 HS- 2.891e-26 2.373e-26 -25.539 -25.625 -0.086 21.28 H2S 2.194e-26 2.213e-26 -25.659 -25.655 0.004 37.26 S-2 2.486e-31 1.194e-31 -30.605 -30.923 -0.318 (0) S(6) 1.364e-02 SO4-2 9.188e-03 4.400e-03 -2.037 -2.357 -0.320 16.01 CaSO4 4.447e-03 4.484e-03 -2.352 -2.348 0.004 8.41 HSO4- 2.937e-07 2.431e-07 -6.532 -6.614 -0.082 36.49 CaHSO4+ 1.581e-08 1.308e-08 -7.801 -7.883 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(335 K, 1 atm) Anhydrite 0.00 -4.71 -4.71 CaSO4 Gypsum -0.04 -4.71 -4.66 CaSO4:2H2O H2(g) -11.51 -14.65 -3.14 H2 H2O(g) -0.67 -0.00 0.67 H2O H2S(g) -24.33 -32.27 -7.94 H2S O2(g) -49.40 -52.47 -3.07 O2 Sulfur -18.42 -14.30 4.11 S Reaction step 39. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.72 -4.72 1.000e+00 1.986e+00 9.862e-01 Gypsum -0.05 -4.72 -4.67 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.334e-02 1.382e-02 S 1.334e-02 1.382e-02 ----------------------------Description of solution---------------------------- pH = 6.631 Charge balance pe = -0.956 Adjusted to redox equilibrium Specific Conductance (uS/cm, 63 oC) = 3699 Density (g/cm3) = 0.98340 Activity of water = 1.000 Ionic strength = 3.602e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 63.00 Electrical balance (eq) = -2.232e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756148e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 5.888e-07 4.838e-07 -6.230 -6.315 -0.085 -3.68 H+ 2.727e-07 2.341e-07 -6.564 -6.631 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.35 Ca 1.334e-02 Ca+2 9.005e-03 4.404e-03 -2.046 -2.356 -0.311 -17.25 CaSO4 4.331e-03 4.367e-03 -2.363 -2.360 0.004 8.42 CaHSO4+ 1.608e-08 1.332e-08 -7.794 -7.876 -0.082 (0) CaOH+ 3.768e-09 3.122e-09 -8.424 -8.506 -0.082 (0) H(0) 4.489e-15 H2 2.245e-15 2.263e-15 -14.649 -14.645 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.216 -52.213 0.004 32.51 S(-2) 4.057e-26 HS- 2.294e-26 1.885e-26 -25.639 -25.725 -0.085 21.27 H2S 1.763e-26 1.777e-26 -25.754 -25.750 0.004 37.26 S-2 2.028e-31 9.784e-32 -30.693 -31.009 -0.317 (0) S(6) 1.334e-02 SO4-2 9.004e-03 4.330e-03 -2.046 -2.364 -0.318 15.94 CaSO4 4.331e-03 4.367e-03 -2.363 -2.360 0.004 8.42 HSO4- 3.036e-07 2.515e-07 -6.518 -6.599 -0.082 36.49 CaHSO4+ 1.608e-08 1.332e-08 -7.794 -7.876 -0.082 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(336 K, 1 atm) Anhydrite 0.00 -4.72 -4.72 CaSO4 Gypsum -0.05 -4.72 -4.67 CaSO4:2H2O H2(g) -11.51 -14.65 -3.14 H2 H2O(g) -0.65 -0.00 0.65 H2O H2S(g) -24.42 -32.36 -7.94 H2S O2(g) -49.14 -52.21 -3.07 O2 Sulfur -18.50 -14.40 4.09 S Reaction step 40. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.73 -4.73 1.000e+00 1.986e+00 9.865e-01 Gypsum -0.06 -4.73 -4.67 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.304e-02 1.351e-02 S 1.304e-02 1.351e-02 ----------------------------Description of solution---------------------------- pH = 6.621 Charge balance pe = -0.948 Adjusted to redox equilibrium Specific Conductance (uS/cm, 64 oC) = 3684 Density (g/cm3) = 0.98283 Activity of water = 1.000 Ionic strength = 3.530e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 64.00 Electrical balance (eq) = -2.227e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.756026e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.055e-07 4.981e-07 -6.218 -6.303 -0.085 -3.72 H+ 2.788e-07 2.395e-07 -6.555 -6.621 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.36 Ca 1.304e-02 Ca+2 8.824e-03 4.333e-03 -2.054 -2.363 -0.309 -17.27 CaSO4 4.218e-03 4.252e-03 -2.375 -2.371 0.004 8.44 CaHSO4+ 1.634e-08 1.355e-08 -7.787 -7.868 -0.081 (0) CaOH+ 3.619e-09 3.001e-09 -8.441 -8.523 -0.081 (0) H(0) 4.500e-15 H2 2.250e-15 2.269e-15 -14.648 -14.644 0.004 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.965 -51.961 0.004 32.55 S(-2) 3.271e-26 HS- 1.839e-26 1.513e-26 -25.735 -25.820 -0.085 21.25 H2S 1.431e-26 1.443e-26 -25.844 -25.841 0.004 37.26 S-2 1.672e-31 8.100e-32 -30.777 -31.092 -0.315 (0) S(6) 1.304e-02 SO4-2 8.824e-03 4.261e-03 -2.054 -2.370 -0.316 15.86 CaSO4 4.218e-03 4.252e-03 -2.375 -2.371 0.004 8.44 HSO4- 3.137e-07 2.602e-07 -6.503 -6.585 -0.081 36.49 CaHSO4+ 1.634e-08 1.355e-08 -7.787 -7.868 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(337 K, 1 atm) Anhydrite -0.00 -4.73 -4.73 CaSO4 Gypsum -0.06 -4.73 -4.67 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.63 -0.00 0.63 H2O H2S(g) -24.51 -32.44 -7.93 H2S O2(g) -48.89 -51.96 -3.08 O2 Sulfur -18.57 -14.50 4.08 S Reaction step 41. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.75 -4.75 1.000e+00 1.987e+00 9.868e-01 Gypsum -0.08 -4.75 -4.67 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.275e-02 1.321e-02 S 1.275e-02 1.321e-02 ----------------------------Description of solution---------------------------- pH = 6.611 Charge balance pe = -0.940 Adjusted to redox equilibrium Specific Conductance (uS/cm, 65 oC) = 3669 Density (g/cm3) = 0.98225 Activity of water = 1.000 Ionic strength = 3.459e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 65.00 Electrical balance (eq) = -2.223e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755907e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.226e-07 5.128e-07 -6.206 -6.290 -0.084 -3.75 H+ 2.850e-07 2.450e-07 -6.545 -6.611 -0.066 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.37 Ca 1.275e-02 Ca+2 8.647e-03 4.262e-03 -2.063 -2.370 -0.307 -17.29 CaSO4 4.107e-03 4.140e-03 -2.386 -2.383 0.003 8.45 CaHSO4+ 1.661e-08 1.379e-08 -7.780 -7.860 -0.081 (0) CaOH+ 3.476e-09 2.886e-09 -8.459 -8.540 -0.081 (0) H(0) 4.509e-15 H2 2.255e-15 2.273e-15 -14.647 -14.643 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.715 -51.711 0.003 32.59 S(-2) 2.635e-26 HS- 1.473e-26 1.214e-26 -25.832 -25.916 -0.084 21.24 H2S 1.161e-26 1.171e-26 -25.935 -25.932 0.003 37.26 S-2 1.377e-31 6.699e-32 -30.861 -31.174 -0.313 (0) S(6) 1.275e-02 SO4-2 8.646e-03 4.193e-03 -2.063 -2.378 -0.314 15.78 CaSO4 4.107e-03 4.140e-03 -2.386 -2.383 0.003 8.45 HSO4- 3.242e-07 2.691e-07 -6.489 -6.570 -0.081 36.49 CaHSO4+ 1.661e-08 1.379e-08 -7.780 -7.860 -0.081 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(338 K, 1 atm) Anhydrite -0.00 -4.75 -4.75 CaSO4 Gypsum -0.08 -4.75 -4.67 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.61 -0.00 0.61 H2O H2S(g) -24.59 -32.53 -7.93 H2S O2(g) -48.63 -51.71 -3.08 O2 Sulfur -18.65 -14.59 4.06 S Reaction step 42. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.76 -4.76 1.000e+00 1.987e+00 9.871e-01 Gypsum -0.09 -4.76 -4.68 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.247e-02 1.292e-02 S 1.247e-02 1.292e-02 ----------------------------Description of solution---------------------------- pH = 6.601 Charge balance pe = -0.933 Adjusted to redox equilibrium Specific Conductance (uS/cm, 66 oC) = 3653 Density (g/cm3) = 0.98166 Activity of water = 1.000 Ionic strength = 3.389e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 66.00 Electrical balance (eq) = -2.220e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755790e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.399e-07 5.277e-07 -6.194 -6.278 -0.084 -3.79 H+ 2.913e-07 2.506e-07 -6.536 -6.601 -0.065 0.00 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.38 Ca 1.247e-02 Ca+2 8.473e-03 4.192e-03 -2.072 -2.378 -0.306 -17.31 CaSO4 3.998e-03 4.030e-03 -2.398 -2.395 0.003 8.47 CaHSO4+ 1.688e-08 1.403e-08 -7.773 -7.853 -0.080 (0) CaOH+ 3.340e-09 2.776e-09 -8.476 -8.557 -0.080 (0) H(0) 4.519e-15 H2 2.260e-15 2.277e-15 -14.646 -14.643 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.466 -51.463 0.003 32.63 S(-2) 2.127e-26 HS- 1.183e-26 9.753e-27 -25.927 -26.011 -0.084 21.22 H2S 9.442e-27 9.516e-27 -26.025 -26.022 0.003 37.27 S-2 1.137e-31 5.552e-32 -30.944 -31.256 -0.311 (0) S(6) 1.247e-02 SO4-2 8.472e-03 4.125e-03 -2.072 -2.385 -0.313 15.70 CaSO4 3.998e-03 4.030e-03 -2.398 -2.395 0.003 8.47 HSO4- 3.349e-07 2.783e-07 -6.475 -6.555 -0.080 36.49 CaHSO4+ 1.688e-08 1.403e-08 -7.773 -7.853 -0.080 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(339 K, 1 atm) Anhydrite 0.00 -4.76 -4.76 CaSO4 Gypsum -0.09 -4.76 -4.68 CaSO4:2H2O H2(g) -11.50 -14.64 -3.14 H2 H2O(g) -0.59 -0.00 0.59 H2O H2S(g) -24.68 -32.61 -7.93 H2S O2(g) -48.38 -51.46 -3.08 O2 Sulfur -18.73 -14.68 4.04 S Reaction step 43. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.78 -4.78 1.000e+00 1.987e+00 9.874e-01 Gypsum -0.10 -4.78 -4.68 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.219e-02 1.263e-02 S 1.219e-02 1.263e-02 ----------------------------Description of solution---------------------------- pH = 6.591 Charge balance pe = -0.925 Adjusted to redox equilibrium Specific Conductance (uS/cm, 67 oC) = 3636 Density (g/cm3) = 0.98108 Activity of water = 1.000 Ionic strength = 3.321e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 67.00 Electrical balance (eq) = -2.217e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755675e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.576e-07 5.430e-07 -6.182 -6.265 -0.083 -3.83 H+ 2.976e-07 2.562e-07 -6.526 -6.591 -0.065 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.39 Ca 1.219e-02 Ca+2 8.302e-03 4.123e-03 -2.081 -2.385 -0.304 -17.34 CaSO4 3.892e-03 3.922e-03 -2.410 -2.406 0.003 8.48 CaHSO4+ 1.714e-08 1.426e-08 -7.766 -7.846 -0.080 (0) CaOH+ 3.210e-09 2.670e-09 -8.494 -8.573 -0.080 (0) H(0) 4.520e-15 H2 2.260e-15 2.277e-15 -14.646 -14.643 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.218 -51.214 0.003 32.67 S(-2) 1.704e-26 HS- 9.421e-27 7.778e-27 -26.026 -26.109 -0.083 21.21 H2S 7.620e-27 7.678e-27 -26.118 -26.115 0.003 37.27 S-2 9.309e-32 4.565e-32 -31.031 -31.341 -0.309 (0) S(6) 1.219e-02 SO4-2 8.301e-03 4.059e-03 -2.081 -2.392 -0.311 15.62 CaSO4 3.892e-03 3.922e-03 -2.410 -2.406 0.003 8.48 HSO4- 3.459e-07 2.877e-07 -6.461 -6.541 -0.080 36.49 CaHSO4+ 1.714e-08 1.426e-08 -7.766 -7.846 -0.080 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(340 K, 1 atm) Anhydrite 0.00 -4.78 -4.78 CaSO4 Gypsum -0.10 -4.78 -4.68 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.57 -0.00 0.57 H2O H2S(g) -24.77 -32.70 -7.93 H2S O2(g) -48.13 -51.21 -3.08 O2 Sulfur -18.80 -14.78 4.02 S Reaction step 44. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.79 -4.79 1.000e+00 1.988e+00 9.876e-01 Gypsum -0.11 -4.79 -4.69 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.192e-02 1.235e-02 S 1.192e-02 1.235e-02 ----------------------------Description of solution---------------------------- pH = 6.582 Charge balance pe = -0.917 Adjusted to redox equilibrium Specific Conductance (uS/cm, 68 oC) = 3619 Density (g/cm3) = 0.98048 Activity of water = 1.000 Ionic strength = 3.254e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 68.00 Electrical balance (eq) = -2.215e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755563e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.757e-07 5.585e-07 -6.170 -6.253 -0.083 -3.87 H+ 3.040e-07 2.618e-07 -6.517 -6.582 -0.065 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.40 Ca 1.192e-02 Ca+2 8.134e-03 4.055e-03 -2.090 -2.392 -0.302 -17.37 CaSO4 3.789e-03 3.817e-03 -2.422 -2.418 0.003 8.50 CaHSO4+ 1.741e-08 1.450e-08 -7.759 -7.839 -0.079 (0) CaOH+ 3.085e-09 2.569e-09 -8.511 -8.590 -0.079 (0) H(0) 4.517e-15 H2 2.258e-15 2.275e-15 -14.646 -14.643 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.970 -50.966 0.003 32.71 S(-2) 1.363e-26 HS- 7.493e-27 6.194e-27 -26.125 -26.208 -0.083 21.19 H2S 6.141e-27 6.187e-27 -26.212 -26.209 0.003 37.27 S-2 7.612e-32 3.748e-32 -31.119 -31.426 -0.308 (0) S(6) 1.192e-02 SO4-2 8.134e-03 3.993e-03 -2.090 -2.399 -0.309 15.53 CaSO4 3.789e-03 3.817e-03 -2.422 -2.418 0.003 8.50 HSO4- 3.571e-07 2.974e-07 -6.447 -6.527 -0.079 36.48 CaHSO4+ 1.741e-08 1.450e-08 -7.759 -7.839 -0.079 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(341 K, 1 atm) Anhydrite -0.00 -4.79 -4.79 CaSO4 Gypsum -0.11 -4.79 -4.69 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.55 -0.00 0.55 H2O H2S(g) -24.86 -32.79 -7.93 H2S O2(g) -47.88 -50.97 -3.08 O2 Sulfur -18.88 -14.88 4.00 S Reaction step 45. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.80 -4.80 1.000e+00 1.988e+00 9.879e-01 Gypsum -0.12 -4.81 -4.69 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.166e-02 1.208e-02 S 1.166e-02 1.208e-02 ----------------------------Description of solution---------------------------- pH = 6.573 Charge balance pe = -0.909 Adjusted to redox equilibrium Specific Conductance (uS/cm, 69 oC) = 3601 Density (g/cm3) = 0.97989 Activity of water = 1.000 Ionic strength = 3.188e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 69.00 Electrical balance (eq) = -2.215e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755452e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 6.940e-07 5.744e-07 -6.159 -6.241 -0.082 -3.91 H+ 3.104e-07 2.676e-07 -6.508 -6.573 -0.065 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.41 Ca 1.166e-02 Ca+2 7.969e-03 3.988e-03 -2.099 -2.399 -0.301 -17.39 CaSO4 3.687e-03 3.715e-03 -2.433 -2.430 0.003 8.51 CaHSO4+ 1.768e-08 1.474e-08 -7.753 -7.832 -0.079 (0) CaOH+ 2.966e-09 2.473e-09 -8.528 -8.607 -0.079 (0) H(0) 4.516e-15 H2 2.258e-15 2.275e-15 -14.646 -14.643 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.723 -50.720 0.003 32.75 S(-2) 1.094e-26 HS- 5.976e-27 4.946e-27 -26.224 -26.306 -0.082 21.17 H2S 4.962e-27 4.999e-27 -26.304 -26.301 0.003 37.27 S-2 6.241e-32 3.086e-32 -31.205 -31.511 -0.306 (0) S(6) 1.166e-02 SO4-2 7.969e-03 3.929e-03 -2.099 -2.406 -0.307 15.43 CaSO4 3.687e-03 3.715e-03 -2.433 -2.430 0.003 8.51 HSO4- 3.687e-07 3.073e-07 -6.433 -6.512 -0.079 36.48 CaHSO4+ 1.768e-08 1.474e-08 -7.753 -7.832 -0.079 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(342 K, 1 atm) Anhydrite 0.00 -4.80 -4.80 CaSO4 Gypsum -0.12 -4.81 -4.69 CaSO4:2H2O H2(g) -11.51 -14.64 -3.14 H2 H2O(g) -0.53 -0.00 0.53 H2O H2S(g) -24.95 -32.88 -7.93 H2S O2(g) -47.63 -50.72 -3.09 O2 Sulfur -18.96 -14.97 3.99 S Reaction step 46. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.82 -4.82 1.000e+00 1.988e+00 9.882e-01 Gypsum -0.13 -4.82 -4.69 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.140e-02 1.181e-02 S 1.140e-02 1.181e-02 ----------------------------Description of solution---------------------------- pH = 6.563 Charge balance pe = -0.900 Adjusted to redox equilibrium Specific Conductance (uS/cm, 70 oC) = 3583 Density (g/cm3) = 0.97928 Activity of water = 1.000 Ionic strength = 3.123e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 70.00 Electrical balance (eq) = -2.214e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755344e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.128e-07 5.906e-07 -6.147 -6.229 -0.082 -3.95 H+ 3.169e-07 2.733e-07 -6.499 -6.563 -0.064 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.43 Ca 1.140e-02 Ca+2 7.808e-03 3.922e-03 -2.107 -2.406 -0.299 -17.42 CaSO4 3.588e-03 3.614e-03 -2.445 -2.442 0.003 8.53 CaHSO4+ 1.794e-08 1.497e-08 -7.746 -7.825 -0.079 (0) CaOH+ 2.853e-09 2.381e-09 -8.545 -8.623 -0.079 (0) H(0) 4.491e-15 H2 2.246e-15 2.262e-15 -14.649 -14.646 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.474 -50.471 0.003 32.79 S(-2) 8.603e-27 HS- 4.672e-27 3.871e-27 -26.331 -26.412 -0.082 21.15 H2S 3.931e-27 3.960e-27 -26.405 -26.402 0.003 37.27 S-2 5.016e-32 2.490e-32 -31.300 -31.604 -0.304 (0) S(6) 1.140e-02 SO4-2 7.807e-03 3.865e-03 -2.108 -2.413 -0.305 15.33 CaSO4 3.588e-03 3.614e-03 -2.445 -2.442 0.003 8.53 HSO4- 3.805e-07 3.175e-07 -6.420 -6.498 -0.079 36.47 CaHSO4+ 1.794e-08 1.497e-08 -7.746 -7.825 -0.079 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(343 K, 1 atm) Anhydrite 0.00 -4.82 -4.82 CaSO4 Gypsum -0.13 -4.82 -4.69 CaSO4:2H2O H2(g) -11.51 -14.65 -3.14 H2 H2O(g) -0.52 -0.00 0.51 H2O H2S(g) -25.04 -32.98 -7.93 H2S O2(g) -47.38 -50.47 -3.09 O2 Sulfur -19.04 -15.08 3.97 S Reaction step 47. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.83 -4.83 1.000e+00 1.988e+00 9.885e-01 Gypsum -0.14 -4.83 -4.70 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.114e-02 1.154e-02 S 1.114e-02 1.154e-02 ----------------------------Description of solution---------------------------- pH = 6.554 Charge balance pe = -0.892 Adjusted to redox equilibrium Specific Conductance (uS/cm, 71 oC) = 3564 Density (g/cm3) = 0.97868 Activity of water = 1.000 Ionic strength = 3.060e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 71.00 Electrical balance (eq) = -2.214e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755238e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.318e-07 6.071e-07 -6.136 -6.217 -0.081 -3.99 H+ 3.235e-07 2.792e-07 -6.490 -6.554 -0.064 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.44 Ca 1.114e-02 Ca+2 7.649e-03 3.857e-03 -2.116 -2.414 -0.297 -17.45 CaSO4 3.491e-03 3.516e-03 -2.457 -2.454 0.003 8.54 CaHSO4+ 1.821e-08 1.521e-08 -7.740 -7.818 -0.078 (0) CaOH+ 2.744e-09 2.292e-09 -8.562 -8.640 -0.078 (0) H(0) 4.490e-15 H2 2.245e-15 2.261e-15 -14.649 -14.646 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.231 -50.228 0.003 32.83 S(-2) 6.916e-27 HS- 3.732e-27 3.096e-27 -26.428 -26.509 -0.081 21.12 H2S 3.184e-27 3.206e-27 -26.497 -26.494 0.003 37.27 S-2 4.120e-32 2.053e-32 -31.385 -31.688 -0.302 (0) S(6) 1.114e-02 SO4-2 7.649e-03 3.802e-03 -2.116 -2.420 -0.304 15.23 CaSO4 3.491e-03 3.516e-03 -2.457 -2.454 0.003 8.54 HSO4- 3.927e-07 3.280e-07 -6.406 -6.484 -0.078 36.47 CaHSO4+ 1.821e-08 1.521e-08 -7.740 -7.818 -0.078 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(344 K, 1 atm) Anhydrite -0.00 -4.83 -4.83 CaSO4 Gypsum -0.14 -4.83 -4.70 CaSO4:2H2O H2(g) -11.51 -14.65 -3.14 H2 H2O(g) -0.50 -0.00 0.50 H2O H2S(g) -25.13 -33.06 -7.93 H2S O2(g) -47.14 -50.23 -3.09 O2 Sulfur -19.12 -15.17 3.95 S Reaction step 48. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.85 -4.85 1.000e+00 1.989e+00 9.887e-01 Gypsum -0.15 -4.85 -4.70 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.089e-02 1.128e-02 S 1.089e-02 1.128e-02 ----------------------------Description of solution---------------------------- pH = 6.545 Charge balance pe = -0.885 Adjusted to redox equilibrium Specific Conductance (uS/cm, 72 oC) = 3545 Density (g/cm3) = 0.97806 Activity of water = 1.000 Ionic strength = 2.997e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 72.00 Electrical balance (eq) = -2.213e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.150124e+02 Total O = 5.755135e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.512e-07 6.240e-07 -6.124 -6.205 -0.081 -4.04 H+ 3.301e-07 2.851e-07 -6.481 -6.545 -0.064 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.45 Ca 1.089e-02 Ca+2 7.494e-03 3.793e-03 -2.125 -2.421 -0.296 -17.48 CaSO4 3.397e-03 3.420e-03 -2.469 -2.466 0.003 8.55 CaHSO4+ 1.847e-08 1.545e-08 -7.733 -7.811 -0.078 (0) CaOH+ 2.640e-09 2.208e-09 -8.578 -8.656 -0.078 (0) H(0) 4.501e-15 H2 2.250e-15 2.266e-15 -14.648 -14.645 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.991 -49.988 0.003 32.87 S(-2) 5.624e-27 HS- 3.016e-27 2.505e-27 -26.521 -26.601 -0.081 21.10 H2S 2.608e-27 2.626e-27 -26.584 -26.581 0.003 37.27 S-2 3.422e-32 1.712e-32 -31.466 -31.766 -0.301 (0) S(6) 1.089e-02 SO4-2 7.493e-03 3.740e-03 -2.125 -2.427 -0.302 15.13 CaSO4 3.397e-03 3.420e-03 -2.469 -2.466 0.003 8.55 HSO4- 4.051e-07 3.388e-07 -6.392 -6.470 -0.078 36.46 CaHSO4+ 1.847e-08 1.545e-08 -7.733 -7.811 -0.078 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(345 K, 1 atm) Anhydrite 0.00 -4.85 -4.85 CaSO4 Gypsum -0.15 -4.85 -4.70 CaSO4:2H2O H2(g) -11.51 -14.64 -3.13 H2 H2O(g) -0.48 -0.00 0.48 H2O H2S(g) -25.21 -33.15 -7.93 H2S O2(g) -46.90 -49.99 -3.09 O2 Sulfur -19.20 -15.26 3.93 S Reaction step 49. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.00 -4.86 -4.86 1.000e+00 1.989e+00 9.890e-01 Gypsum -0.16 -4.86 -4.71 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.065e-02 1.103e-02 S 1.065e-02 1.103e-02 ----------------------------Description of solution---------------------------- pH = 6.536 Charge balance pe = -0.950 Adjusted to redox equilibrium Specific Conductance (uS/cm, 73 oC) = 3525 Density (g/cm3) = 0.97745 Activity of water = 1.000 Ionic strength = 2.936e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 73.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.150124e+02 Total O = 5.755033e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.710e-07 6.411e-07 -6.113 -6.193 -0.080 -4.09 H+ 3.367e-07 2.910e-07 -6.473 -6.536 -0.063 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.46 Ca 1.065e-02 Ca+2 7.341e-03 3.730e-03 -2.134 -2.428 -0.294 -17.52 CaSO4 3.304e-03 3.327e-03 -2.481 -2.478 0.003 8.57 CaHSO4+ 1.874e-08 1.569e-08 -7.727 -7.804 -0.077 (0) CaOH+ 2.541e-09 2.127e-09 -8.595 -8.672 -0.077 (0) H(0) 6.266e-15 H2 3.133e-15 3.154e-15 -14.504 -14.501 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -50.038 -50.035 0.003 32.91 S(-2) 1.704e-26 HS- 9.083e-27 7.553e-27 -26.042 -26.122 -0.080 21.08 H2S 7.961e-27 8.015e-27 -26.099 -26.096 0.003 37.28 S-2 1.059e-31 5.323e-32 -30.975 -31.274 -0.299 (0) S(6) 1.065e-02 SO4-2 7.341e-03 3.678e-03 -2.134 -2.434 -0.300 15.02 CaSO4 3.304e-03 3.327e-03 -2.481 -2.478 0.003 8.57 HSO4- 4.179e-07 3.498e-07 -6.379 -6.456 -0.077 36.45 CaHSO4+ 1.874e-08 1.569e-08 -7.727 -7.804 -0.077 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(346 K, 1 atm) Anhydrite -0.00 -4.86 -4.86 CaSO4 Gypsum -0.16 -4.86 -4.71 CaSO4:2H2O H2(g) -11.37 -14.50 -3.13 H2 H2O(g) -0.46 -0.00 0.46 H2O H2S(g) -24.73 -32.66 -7.93 H2S O2(g) -46.94 -50.04 -3.09 O2 Sulfur -18.84 -14.92 3.92 S Reaction step 50. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.88 -4.88 1.000e+00 1.989e+00 9.892e-01 Gypsum -0.17 -4.88 -4.71 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.041e-02 1.078e-02 S 1.041e-02 1.078e-02 ----------------------------Description of solution---------------------------- pH = 6.527 Charge balance pe = -0.944 Adjusted to redox equilibrium Specific Conductance (uS/cm, 74 oC) = 3505 Density (g/cm3) = 0.97683 Activity of water = 1.000 Ionic strength = 2.876e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 74.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.150124e+02 Total O = 5.754934e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 7.911e-07 6.586e-07 -6.102 -6.181 -0.080 -4.13 H+ 3.434e-07 2.970e-07 -6.464 -6.527 -0.063 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.47 Ca 1.041e-02 Ca+2 7.191e-03 3.668e-03 -2.143 -2.436 -0.292 -17.55 CaSO4 3.214e-03 3.236e-03 -2.493 -2.490 0.003 8.58 CaHSO4+ 1.900e-08 1.592e-08 -7.721 -7.798 -0.077 (0) CaOH+ 2.446e-09 2.049e-09 -8.612 -8.688 -0.077 (0) H(0) 6.299e-15 H2 3.150e-15 3.170e-15 -14.502 -14.499 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.804 -49.801 0.003 32.95 S(-2) 1.405e-26 HS- 7.441e-27 6.195e-27 -26.128 -26.208 -0.080 21.05 H2S 6.612e-27 6.656e-27 -26.180 -26.177 0.003 37.28 S-2 8.920e-32 4.500e-32 -31.050 -31.347 -0.297 (0) S(6) 1.041e-02 SO4-2 7.191e-03 3.618e-03 -2.143 -2.442 -0.298 14.91 CaSO4 3.214e-03 3.236e-03 -2.493 -2.490 0.003 8.58 HSO4- 4.310e-07 3.611e-07 -6.366 -6.442 -0.077 36.44 CaHSO4+ 1.900e-08 1.592e-08 -7.721 -7.798 -0.077 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(347 K, 1 atm) Anhydrite 0.00 -4.88 -4.88 CaSO4 Gypsum -0.17 -4.88 -4.71 CaSO4:2H2O H2(g) -11.37 -14.50 -3.13 H2 H2O(g) -0.44 -0.00 0.44 H2O H2S(g) -24.80 -32.74 -7.93 H2S O2(g) -46.70 -49.80 -3.10 O2 Sulfur -18.91 -15.01 3.90 S Reaction step 51. Using solution 1. Pure water Using pure phase assemblage 1. Using temperature 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite 0.00 -4.89 -4.89 1.000e+00 1.989e+00 9.895e-01 Gypsum -0.18 -4.89 -4.72 1.000e+00 0 -1.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.017e-02 1.054e-02 S 1.017e-02 1.054e-02 ----------------------------Description of solution---------------------------- pH = 6.519 Charge balance pe = -0.868 Adjusted to redox equilibrium Specific Conductance (uS/cm, 75 oC) = 3484 Density (g/cm3) = 0.97620 Activity of water = 1.000 Ionic strength = 2.818e-02 Mass of water (kg) = 1.036e+00 Total alkalinity (eq/kg) = 2.131e-10 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 75.00 Electrical balance (eq) = -2.208e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 19 Total H = 1.150124e+02 Total O = 5.754836e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol OH- 8.116e-07 6.765e-07 -6.091 -6.170 -0.079 -4.18 H+ 3.501e-07 3.030e-07 -6.456 -6.519 -0.063 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.48 Ca 1.017e-02 Ca+2 7.044e-03 3.606e-03 -2.152 -2.443 -0.291 -17.58 CaSO4 3.126e-03 3.146e-03 -2.505 -2.502 0.003 8.59 CaHSO4+ 1.927e-08 1.616e-08 -7.715 -7.792 -0.076 (0) CaOH+ 2.354e-09 1.975e-09 -8.628 -8.704 -0.076 (0) H(0) 4.584e-15 H2 2.292e-15 2.307e-15 -14.640 -14.637 0.003 28.58 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -49.290 -49.287 0.003 32.99 S(-2) 3.185e-27 HS- 1.675e-27 1.396e-27 -26.776 -26.855 -0.079 21.03 H2S 1.510e-27 1.519e-27 -26.821 -26.818 0.003 37.28 S-2 2.064e-32 1.046e-32 -31.685 -31.981 -0.295 (0) S(6) 1.017e-02 SO4-2 7.044e-03 3.558e-03 -2.152 -2.449 -0.297 14.80 CaSO4 3.126e-03 3.146e-03 -2.505 -2.502 0.003 8.59 HSO4- 4.444e-07 3.727e-07 -6.352 -6.429 -0.076 36.43 CaHSO4+ 1.927e-08 1.616e-08 -7.715 -7.792 -0.076 (0) ------------------------------Saturation indices------------------------------- Phase SI log IAP log K(348 K, 1 atm) Anhydrite 0.00 -4.89 -4.89 CaSO4 Gypsum -0.18 -4.89 -4.72 CaSO4:2H2O H2(g) -11.50 -14.64 -3.13 H2 H2O(g) -0.42 -0.00 0.42 H2O H2S(g) -25.44 -33.37 -7.93 H2S O2(g) -46.19 -49.29 -3.10 O2 Sulfur -19.40 -15.52 3.88 S ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ ------------------------------ End of Run after 0.08 Seconds. ------------------------------