Input file: ../examples/ex4 Output file: ex4.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 MEAN_GAMMAS RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ TITLE Example 4a.--Rainwater evaporation SOLUTION 1 Precipitation from Central Oklahoma units mg/L pH 4.5 # estimated temp 25.0 Ca .384 Mg .043 Na .141 K .036 Cl .236 C(4) .1 CO2(g) -3.5 S(6) 1.3 N(-3) .208 N(5) .237 REACTION 1 H2O -1.0 52.73 moles SAVE solution 2 END ----- TITLE ----- Example 4a.--Rainwater evaporation ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. Precipitation from Central Oklahoma -----------------------------Solution composition------------------------------ Elements Molality Moles C(4) 1.091e-05 1.091e-05 Equilibrium with CO2(g) Ca 9.581e-06 9.581e-06 Cl 6.657e-06 6.657e-06 K 9.207e-07 9.207e-07 Mg 1.769e-06 1.769e-06 N(-3) 1.485e-05 1.485e-05 N(5) 1.692e-05 1.692e-05 Na 6.133e-06 6.133e-06 S(6) 1.353e-05 1.353e-05 ----------------------------Description of solution---------------------------- pH = 4.500 pe = 4.000 Specific Conductance (µS/cm, 25°C) = 15 Density (g/cm³) = 0.99705 Volume (L) = 1.00297 Viscosity (mPa s) = 0.89009 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.839e-05 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -3.185e-05 Total CO2 (mol/kg) = 1.091e-05 Temperature (°C) = 25.00 Electrical balance (eq) = 2.581e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29 Iterations = 3 Total H = 1.110125e+02 Total O = 5.550634e+01 ---------------------------------Redox couples--------------------------------- Redox couple pe Eh (volts) N(-3)/N(5) 9.2667 0.5482 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00 OH- 3.236e-10 3.201e-10 -9.490 -9.495 -0.005 -4.13 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(4) 1.091e-05 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56 CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62 MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46 (CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -4.02 KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03 CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60 MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09 Ca 9.581e-06 Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22 CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50 CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62 CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0) CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0) CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60 Cl 6.657e-06 Cl- 6.657e-06 6.584e-06 -5.177 -5.181 -0.005 18.05 HCl 7.172e-11 7.173e-11 -10.144 -10.144 0.000 (0) H(0) 1.416e-20 H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 28.61 K 9.207e-07 K+ 9.205e-07 9.105e-07 -6.036 -6.041 -0.005 8.99 KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12 KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03 Mg 1.769e-06 Mg+2 1.763e-06 1.688e-06 -5.754 -5.773 -0.019 -21.90 MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92 MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46 Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61 MgOH+ 1.959e-13 1.938e-13 -12.708 -12.713 -0.005 (0) MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09 N(-3) 1.485e-05 NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.87 NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83 NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42 N(5) 1.692e-05 NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47 Na 6.133e-06 Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51 NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 NaOH 1.941e-25 1.941e-25 -24.712 -24.712 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40 S(6) 1.353e-05 SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.77 HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 40.26 CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50 MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92 NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83 NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48 KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12 CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0) Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -5.65 -9.93 -4.28 CaSO4 Aragonite -9.35 -17.69 -8.34 CaCO3 Arcanite -15.09 -16.97 -1.88 K2SO4 Calcite -9.21 -17.69 -8.48 CaCO3 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Dolomite -19.02 -36.11 -17.08 CaMg(CO3)2 Epsomite -8.92 -10.66 -1.74 MgSO4:7H2O Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O H2(g) -17.05 -20.15 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -11.97 -10.40 1.57 NaCl Hexahydrite -9.10 -10.66 -1.57 MgSO4:6H2O Kieserite -9.50 -10.66 -1.16 MgSO4:H2O Mirabilite -14.08 -15.32 -1.24 Na2SO4:10H2O NH3(g) -11.37 -9.58 1.80 NH3 O2(g) -49.19 -52.08 -2.89 O2 Sylvite -12.12 -11.22 0.90 KCl Thenardite -15.02 -15.32 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. Precipitation from Central Oklahoma Using reaction 1. Reaction 1. 5.273e+01 moles of the following reaction have been added: Relative Reactant moles H2O -1.00000 Relative Element moles H -2.00000 O -1.00000 -----------------------------Solution composition------------------------------ Elements Molality Moles C 2.182e-04 1.091e-05 Ca 1.916e-04 9.581e-06 Cl 1.331e-04 6.657e-06 K 1.841e-05 9.207e-07 Mg 3.536e-05 1.769e-06 N 6.352e-04 3.177e-05 Na 1.226e-04 6.133e-06 S 2.706e-04 1.353e-05 ----------------------------Description of solution---------------------------- pH = 3.148 Charge balance pe = 16.529 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 0.05017 Viscosity (mPa s) = 0.89045 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 5.002e-02 Total alkalinity (eq/kg) = -7.555e-04 Total CO2 (mol/kg) = 2.182e-04 Temperature (°C) = 25.00 Electrical balance (eq) = 2.581e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.29 Iterations = 32 Total H = 5.552525e+00 Total O = 2.776344e+00 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00 OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46 C(4) 2.182e-04 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90 CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09 Ca 1.916e-04 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 Cl 1.331e-04 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08 HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61 K 1.841e-05 K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02 KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 Mg 3.536e-05 Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80 MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92 Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0) MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90 NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42 N(0) 4.751e-04 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29 N(3) 2.623e-15 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97 N(5) 1.601e-04 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50 Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0) (H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09 S(6) 2.706e-04 SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86 HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63 NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -3.21 -7.49 -4.28 CaSO4 Aragonite -9.52 -17.85 -8.34 CaCO3 Arcanite -11.31 -13.19 -1.88 K2SO4 Calcite -9.37 -17.85 -8.48 CaCO3 CH4(g) -133.89 -136.69 -2.80 CH4 CO2(g) -2.19 -3.66 -1.47 CO2 Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2 Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O H2(g) -39.40 -42.51 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -125.81 -133.75 -7.94 H2S Halite -9.40 -7.83 1.57 NaCl Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O Kieserite -7.06 -8.23 -1.16 MgSO4:H2O Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O N2(g) -0.45 -3.62 -3.18 N2 NH3(g) -56.35 -54.55 1.80 NH3 O2(g) -4.48 -7.37 -2.89 O2 Sulfur -92.33 -87.45 4.88 S Sylvite -9.55 -8.65 0.90 KCl Thenardite -11.24 -11.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ TITLE Example 4b.--Factor of 20 more solution MIX 2 20. SAVE solution 3 END ----- TITLE ----- Example 4b.--Factor of 20 more solution ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using mix 1. Mixture 1. 2.000e+01 Solution 2 Solution after simulation 1. -----------------------------Solution composition------------------------------ Elements Molality Moles C 2.182e-04 2.183e-04 Ca 1.916e-04 1.916e-04 Cl 1.331e-04 1.331e-04 K 1.841e-05 1.841e-05 Mg 3.536e-05 3.537e-05 N 6.352e-04 6.354e-04 Na 1.226e-04 1.227e-04 S 2.706e-04 2.707e-04 ----------------------------Description of solution---------------------------- pH = 3.148 Charge balance pe = 16.529 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 1.00332 Viscosity (mPa s) = 0.89045 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.555e-04 Total CO2 (mol/kg) = 2.182e-04 Temperature (°C) = 25.00 Electrical balance (eq) = 5.162e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.29 Iterations = 0 Total H = 1.110505e+02 Total O = 5.552687e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00 OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46 C(4) 2.182e-04 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90 CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09 Ca 1.916e-04 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 Cl 1.331e-04 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08 HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61 K 1.841e-05 K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02 KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 Mg 3.536e-05 Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80 MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92 Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0) MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90 NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42 N(0) 4.751e-04 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29 N(3) 2.623e-15 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97 N(5) 1.601e-04 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50 Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0) (H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09 S(6) 2.706e-04 SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86 HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63 NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -3.21 -7.49 -4.28 CaSO4 Aragonite -9.52 -17.85 -8.34 CaCO3 Arcanite -11.31 -13.19 -1.88 K2SO4 Calcite -9.37 -17.85 -8.48 CaCO3 CH4(g) -133.89 -136.69 -2.80 CH4 CO2(g) -2.19 -3.66 -1.47 CO2 Dolomite -19.36 -36.44 -17.08 CaMg(CO3)2 Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O H2(g) -39.40 -42.51 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -125.81 -133.75 -7.94 H2S Halite -9.40 -7.83 1.57 NaCl Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O Kieserite -7.06 -8.23 -1.16 MgSO4:H2O Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O N2(g) -0.45 -3.62 -3.18 N2 NH3(g) -56.35 -54.55 1.80 NH3 O2(g) -4.48 -7.37 -2.89 O2 Sulfur -92.33 -87.45 4.88 S Sylvite -9.55 -8.65 0.90 KCl Thenardite -11.24 -11.54 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------