Input file: H:\ntc\03\Friday.teacher\ok.pqi Output file: H:\ntc\03\Friday.teacher\ok.pqo Database file: C:\Program Files\USGS\Phreeqc Interactive 2.6\wateq4f.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. ------------------------------------ DATABASE C:\Program Files\USGS\Phreeqc Interactive 2.6\wateq4f.dat SURFACE_SPECIES Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ log_k -15 Ca+2 + Hfo_wOH = Hfo_wOCa+ + H+ log_k -15 SOLUTION_SPREAD units mol/kgw Description Number Temp pH pe Ca Mg Na Cl C S As O2(g) -0.7 charge uMol/kgw brine 1 25 5.713 4 0.4655 0.1609 5.402 6.642 0.00396 0.004725 0.05 EQUILIBRIUM_PHASES 1-10 Dolomite 0.0 1.6 Calcite 0.0 0.1 END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. brine -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.960e-003 3.960e-003 Ca 4.655e-001 4.655e-001 Cl 6.642e+000 6.642e+000 Charge balance Mg 1.609e-001 1.609e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.713 pe = 14.945 Equilibrium with O2(g) Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 3.333e-003 Total CO2 (mol/kg) = 3.960e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.504e-012 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110158e+002 Total O = 5.553645e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 2.755e-006 1.936e-006 -5.560 -5.713 -0.153 OH- 7.396e-010 4.056e-009 -9.131 -8.392 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 8.471e-034 H3AsO3 8.469e-034 4.515e-033 -33.072 -32.345 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 7.899e-040 4.332e-039 -39.102 -38.363 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.206 -42.249 2.956 AsO3-3 0.000e+000 0.000e+000 -56.602 -49.950 6.652 As(5) 5.000e-008 H2AsO4- 4.996e-008 2.740e-007 -7.301 -6.562 0.739 HAsO4-2 2.730e-011 2.470e-008 -10.564 -7.607 2.956 H3AsO4 1.741e-011 9.283e-011 -10.759 -10.032 0.727 AsO4-3 7.205e-021 3.234e-014 -20.142 -13.490 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.861 -143.135 0.727 C(4) 3.960e-003 HCO3- 1.045e-003 6.049e-004 -2.981 -3.218 -0.238 CaHCO3+ 1.002e-003 5.494e-003 -2.999 -2.260 0.739 MgHCO3+ 6.754e-004 3.704e-003 -3.170 -2.431 0.739 CO2 6.296e-004 3.357e-003 -3.201 -2.474 0.727 NaHCO3 6.026e-004 3.213e-003 -3.220 -2.493 0.727 CaCO3 3.278e-006 1.748e-005 -5.484 -4.758 0.727 MgCO3 1.372e-006 7.316e-006 -5.863 -5.136 0.727 NaCO3- 4.698e-007 2.577e-006 -6.328 -5.589 0.739 CO3-2 1.307e-007 1.465e-008 -6.884 -7.834 -0.950 Ca 4.655e-001 Ca+2 4.629e-001 7.121e-001 -0.335 -0.147 0.187 CaSO4 1.606e-003 8.565e-003 -2.794 -2.067 0.727 CaHCO3+ 1.002e-003 5.494e-003 -2.999 -2.260 0.739 CaCO3 3.278e-006 1.748e-005 -5.484 -4.758 0.727 CaHSO4+ 1.772e-008 9.716e-008 -7.752 -7.012 0.739 CaOH+ 8.731e-009 4.788e-008 -8.059 -7.320 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.609e-001 Mg+2 1.588e-001 5.233e-001 -0.799 -0.281 0.518 MgSO4 1.387e-003 7.395e-003 -2.858 -2.131 0.727 MgHCO3+ 6.754e-004 3.704e-003 -3.170 -2.431 0.739 MgCO3 1.372e-006 7.316e-006 -5.863 -5.136 0.727 MgOH+ 1.404e-007 7.698e-007 -6.853 -6.114 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaHCO3 6.026e-004 3.213e-003 -3.220 -2.493 0.727 NaSO4- 5.203e-004 2.854e-003 -3.284 -2.545 0.739 NaCO3- 4.698e-007 2.577e-006 -6.328 -5.589 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -140.569 -139.842 0.727 HS- 0.000e+000 0.000e+000 -141.810 -141.070 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.952 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.186 -0.558 S6-2 0.000e+000 0.000e+000 -144.828 -145.238 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.639 -0.680 S2-2 0.000e+000 0.000e+000 -149.072 -149.885 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.275 2.956 S(6) 4.725e-003 CaSO4 1.606e-003 8.565e-003 -2.794 -2.067 0.727 MgSO4 1.387e-003 7.395e-003 -2.858 -2.131 0.727 SO4-2 1.211e-003 6.028e-005 -2.917 -4.220 -1.303 NaSO4- 5.203e-004 2.854e-003 -3.284 -2.545 0.739 CaHSO4+ 1.772e-008 9.716e-008 -7.752 -7.012 0.739 HSO4- 2.069e-009 1.135e-008 -8.684 -7.945 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite 0.35 -7.98 -8.34 CaCO3 Arsenolite -125.95 -204.34 -78.39 As4O6 Artinite -7.10 2.50 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -26.45 -19.75 6.70 As2O5 Brucite -5.91 10.93 16.84 Mg(OH)2 Ca3(AsO4)2:4w -8.94 13.35 22.29 Ca3(AsO4)2:4H2O Calcite 0.50 -7.98 -8.48 CaCO3 CH4(g) -140.27 -184.21 -43.93 CH4 Claudetite -125.68 -204.34 -78.65 As4O6 CO2(g) -1.01 -19.15 -18.15 CO2 Dolomite 0.99 -16.10 -17.09 CaMg(CO3)2 Dolomite(d) 0.44 -16.10 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.84 -180.49 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -2.36 -32.33 -29.97 CaMg3(CO3)4 Hydromagnesite -13.19 -21.95 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.09 -8.12 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.70 -12.57 -10.88 NaHCO3 Natron -5.63 -6.94 -1.31 Na2CO3:10H2O Nesquehonite -2.81 -8.43 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -443.44 -643.31 -199.87 As2S3 Portlandite -11.73 11.07 22.80 Ca(OH)2 Realgar -179.72 -252.07 -72.35 AsS Sulfur -103.36 -139.17 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.11 -5.99 0.13 Na2CO3:H2O Trona -7.54 -18.67 -11.12 NaHCO3:Na2CO3:2H2O ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. brine Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.020e-001 1.982e-003 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.599e+000-7.679e-004 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.513e-012 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ USE solution 1 USE equilibrium_phases 1 SAVE solution 1-10 END ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. brine Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.020e-001 1.982e-003 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.599e+000-7.679e-004 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.513e-012 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ TITLE Initial exchange and surface EXCHANGE 1-10 X 1 equilibrate with solution 1 SURFACE 1-10 equilibrate with solution 1 Hfo_w 0.07 600 30 END ----- TITLE ----- Initial exchange and surface ------------------------------------------------------- Beginning of initial exchange-composition calculations. ------------------------------------------------------- Exchange 1. X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 ------------------------------------------------------ Beginning of initial surface-composition calculations. ------------------------------------------------------ Surface 1. Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 4. ------------------------------------ SOLUTION_SPREAD units mmol/kgw Description Number Temp pH pe Ca Mg Na Cl C S O2(g) -0.7 charge 20xRainwater 0 25 4.6 4 0.192 0.036 0.123 0.134 0.011 0.235 EQUILIBRIUM_PHASES 0 Dolomite 0.0 1.6 Calcite 0.0 0.1 CO2(g) -1.5 10. SAVE solution 0 END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 0. 20xRainwater -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.100e-005 1.100e-005 Ca 1.920e-004 1.920e-004 Cl 1.340e-004 1.340e-004 Mg 3.600e-005 3.600e-005 Na 1.230e-004 1.230e-004 S 2.357e-004 2.357e-004 Charge balance ----------------------------Description of solution---------------------------- pH = 4.600 pe = 16.005 Equilibrium with O2(g) Activity of water = 1.000 Ionic strength = 1.037e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = -2.630e-005 Total CO2 (mol/kg) = 1.100e-005 Temperature (deg C) = 25.000 Electrical balance (eq) = 6.901e-016 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110125e+002 Total O = 5.550762e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 2.600e-005 2.512e-005 -4.585 -4.600 -0.015 OH- 4.132e-010 3.985e-010 -9.384 -9.400 -0.016 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -145.416 -145.416 0.000 C(4) 1.100e-005 CO2 1.080e-005 1.080e-005 -4.967 -4.966 0.000 HCO3- 1.983e-007 1.913e-007 -6.703 -6.718 -0.016 CaHCO3+ 4.071e-010 3.926e-010 -9.390 -9.406 -0.016 MgHCO3+ 6.968e-011 6.720e-011 -10.157 -10.173 -0.016 NaHCO3 1.275e-011 1.275e-011 -10.895 -10.894 0.000 CO3-2 4.120e-013 3.572e-013 -12.385 -12.447 -0.062 CaCO3 9.626e-014 9.629e-014 -13.017 -13.016 0.000 MgCO3 1.023e-014 1.023e-014 -13.990 -13.990 0.000 NaCO3- 8.173e-016 7.883e-016 -15.088 -15.103 -0.016 Ca 1.920e-004 Ca+2 1.857e-004 1.609e-004 -3.731 -3.793 -0.062 CaSO4 6.321e-006 6.323e-006 -5.199 -5.199 0.000 CaHSO4+ 9.647e-010 9.304e-010 -9.016 -9.031 -0.016 CaHCO3+ 4.071e-010 3.926e-010 -9.390 -9.406 -0.016 CaOH+ 1.102e-012 1.063e-012 -11.958 -11.973 -0.016 CaCO3 9.626e-014 9.629e-014 -13.017 -13.016 0.000 Cl 1.340e-004 Cl- 1.340e-004 1.292e-004 -3.873 -3.889 -0.016 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -44.360 -44.360 0.000 Mg 3.600e-005 Mg+2 3.461e-005 3.002e-005 -4.461 -4.523 -0.062 MgSO4 1.386e-006 1.386e-006 -5.858 -5.858 0.000 MgHCO3+ 6.968e-011 6.720e-011 -10.157 -10.173 -0.016 MgOH+ 4.500e-012 4.340e-012 -11.347 -11.363 -0.016 MgCO3 1.023e-014 1.023e-014 -13.990 -13.990 0.000 Na 1.230e-004 Na+ 1.229e-004 1.185e-004 -3.911 -3.926 -0.016 NaSO4- 1.213e-007 1.170e-007 -6.916 -6.932 -0.016 NaHCO3 1.275e-011 1.275e-011 -10.895 -10.894 0.000 NaCO3- 8.173e-016 7.883e-016 -15.088 -15.103 -0.016 O(0) 4.374e-004 O2 2.187e-004 2.188e-004 -3.660 -3.660 0.000 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -137.102 -137.102 0.000 HS- 0.000e+000 0.000e+000 -139.428 -139.443 -0.016 S5-2 0.000e+000 0.000e+000 -144.380 -144.438 -0.058 S4-2 0.000e+000 0.000e+000 -144.613 -144.672 -0.059 S6-2 0.000e+000 0.000e+000 -144.667 -144.724 -0.057 S-2 0.000e+000 0.000e+000 -147.698 -147.761 -0.063 S3-2 0.000e+000 0.000e+000 -148.065 -148.125 -0.060 S2-2 0.000e+000 0.000e+000 -149.310 -149.371 -0.061 S(6) 2.357e-004 SO4-2 2.273e-004 1.969e-004 -3.643 -3.706 -0.062 CaSO4 6.321e-006 6.323e-006 -5.199 -5.199 0.000 MgSO4 1.386e-006 1.386e-006 -5.858 -5.858 0.000 HSO4- 4.986e-007 4.809e-007 -6.302 -6.318 -0.016 NaSO4- 1.213e-007 1.170e-007 -6.916 -6.932 -0.016 CaHSO4+ 9.647e-010 9.304e-010 -9.016 -9.031 -0.016 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -3.14 -7.50 -4.36 CaSO4 Aragonite -7.90 -16.24 -8.34 CaCO3 Artinite -21.89 -12.29 9.60 MgCO3:Mg(OH)2:3H2O Brucite -12.16 4.68 16.84 Mg(OH)2 Calcite -7.76 -16.24 -8.48 CaCO3 CH4(g) -142.56 -186.49 -43.93 CH4 CO2(g) -3.50 -21.65 -18.15 CO2 Dolomite -16.12 -33.21 -17.09 CaMg(CO3)2 Dolomite(d) -16.67 -33.21 -16.54 CaMg(CO3)2 Epsomite -6.09 -8.23 -2.14 MgSO4:7H2O Gypsum -2.92 -7.50 -4.58 CaSO4:2H2O H2(g) -41.21 -41.21 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -136.10 -177.75 -41.64 H2S Halite -9.40 -7.81 1.58 NaCl Huntite -37.18 -67.15 -29.97 CaMg3(CO3)4 Hydromagnesite -54.44 -63.20 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -8.94 -16.97 -8.03 MgCO3 Mirabilite -10.44 -11.56 -1.11 Na2SO4:10H2O Nahcolite -10.10 -20.97 -10.88 NaHCO3 Natron -18.99 -20.30 -1.31 Na2CO3:10H2O Nesquehonite -11.35 -16.97 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Portlandite -17.39 5.41 22.80 Ca(OH)2 Sulfur -100.73 -136.54 -35.81 S Thenardite -11.38 -11.56 -0.18 Na2SO4 Thermonatrite -20.42 -20.30 0.13 Na2CO3:H2O Trona -30.15 -41.27 -11.12 NaHCO3:Na2CO3:2H2O ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 0. 20xRainwater Using pure phase assemblage 0. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 9.966e-002-3.442e-004 CO2(g) -1.50 -19.65 -18.15 1.000e+001 9.996e+000-4.066e-003 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.599e+000-1.349e-003 -----------------------------Solution composition------------------------------ Elements Molality Moles C 7.119e-003 7.119e-003 Ca 1.885e-003 1.885e-003 Cl 1.340e-004 1.340e-004 Mg 1.385e-003 1.385e-003 Na 1.230e-004 1.230e-004 S 2.357e-004 2.357e-004 ----------------------------Description of solution---------------------------- pH = 7.047 Charge balance pe = 13.558 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength = 9.631e-003 Mass of water (kg) = 9.999e-001 Total alkalinity (eq/kg) = 6.057e-003 Total CO2 (mol/kg) = 7.119e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 6.891e-016 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 16 Total H = 1.110125e+002 Total O = 5.552488e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.234e-007 1.115e-007 -6.909 -6.953 -0.044 H+ 9.815e-008 8.977e-008 -7.008 -7.047 -0.039 H2O 5.551e+001 9.998e-001 1.744 -0.000 0.000 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.421 -143.420 0.001 C(4) 7.119e-003 HCO3- 5.882e-003 5.333e-003 -2.230 -2.273 -0.043 CO2 1.074e-003 1.077e-003 -2.969 -2.968 0.001 CaHCO3+ 8.951e-005 8.088e-005 -4.048 -4.092 -0.044 MgHCO3+ 6.082e-005 5.496e-005 -4.216 -4.260 -0.044 CaCO3 5.537e-006 5.550e-006 -5.257 -5.256 0.001 CO3-2 4.124e-006 2.786e-006 -5.385 -5.555 -0.170 MgCO3 2.336e-006 2.341e-006 -5.631 -5.631 0.001 NaHCO3 3.318e-007 3.326e-007 -6.479 -6.478 0.001 NaCO3- 6.367e-009 5.753e-009 -8.196 -8.240 -0.044 Ca 1.885e-003 Ca+2 1.761e-003 1.189e-003 -2.754 -2.925 -0.171 CaHCO3+ 8.951e-005 8.088e-005 -4.048 -4.092 -0.044 CaSO4 2.888e-005 2.895e-005 -4.539 -4.538 0.001 CaCO3 5.537e-006 5.550e-006 -5.257 -5.256 0.001 CaOH+ 2.432e-009 2.198e-009 -8.614 -8.658 -0.044 CaHSO4+ 1.685e-011 1.522e-011 -10.773 -10.817 -0.044 Cl 1.340e-004 Cl- 1.340e-004 1.209e-004 -3.873 -3.918 -0.045 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -44.361 -44.361 0.001 Mg 1.385e-003 Mg+2 1.296e-003 8.807e-004 -2.887 -3.055 -0.168 MgHCO3+ 6.082e-005 5.496e-005 -4.216 -4.260 -0.044 MgSO4 2.514e-005 2.519e-005 -4.600 -4.599 0.001 MgCO3 2.336e-006 2.341e-006 -5.631 -5.631 0.001 MgOH+ 3.942e-008 3.561e-008 -7.404 -7.448 -0.044 Na 1.230e-004 Na+ 1.226e-004 1.109e-004 -3.912 -3.955 -0.044 NaHCO3 3.318e-007 3.326e-007 -6.479 -6.478 0.001 NaSO4- 7.506e-008 6.782e-008 -7.125 -7.169 -0.044 NaCO3- 6.367e-009 5.753e-009 -8.196 -8.240 -0.044 O(0) 4.375e-004 O2 2.187e-004 2.192e-004 -3.660 -3.659 0.001 S(-2) 0.000e+000 HS- 0.000e+000 0.000e+000 -142.056 -142.100 -0.044 H2S 0.000e+000 0.000e+000 -142.206 -142.205 0.001 S5-2 0.000e+000 0.000e+000 -144.504 -144.648 -0.144 S4-2 0.000e+000 0.000e+000 -144.731 -144.882 -0.151 S6-2 0.000e+000 0.000e+000 -144.796 -144.934 -0.138 S-2 0.000e+000 0.000e+000 -147.795 -147.971 -0.176 S3-2 0.000e+000 0.000e+000 -148.176 -148.335 -0.159 S2-2 0.000e+000 0.000e+000 -149.416 -149.581 -0.165 S(6) 2.357e-004 SO4-2 1.816e-004 1.220e-004 -3.741 -3.914 -0.173 CaSO4 2.888e-005 2.895e-005 -4.539 -4.538 0.001 MgSO4 2.514e-005 2.519e-005 -4.600 -4.599 0.001 NaSO4- 7.506e-008 6.782e-008 -7.125 -7.169 -0.044 HSO4- 1.179e-009 1.065e-009 -8.929 -8.973 -0.044 CaHSO4+ 1.685e-011 1.522e-011 -10.773 -10.817 -0.044 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -2.48 -6.84 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Artinite -7.17 2.43 9.60 MgCO3:Mg(OH)2:3H2O Brucite -5.80 11.04 16.84 Mg(OH)2 Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.56 -184.49 -43.93 CH4 CO2(g) -1.50 -19.65 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -4.83 -6.97 -2.14 MgSO4:7H2O Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O H2(g) -41.21 -41.21 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -141.21 -182.85 -41.64 H2S Halite -9.45 -7.87 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -14.64 -23.40 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -10.71 -11.82 -1.11 Na2SO4:10H2O Nahcolite -5.68 -16.56 -10.88 NaHCO3 Natron -12.15 -13.47 -1.31 Na2CO3:10H2O Nesquehonite -2.99 -8.61 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Portlandite -11.63 11.17 22.80 Ca(OH)2 Sulfur -105.83 -141.64 -35.81 S Thenardite -11.64 -11.82 -0.18 Na2SO4 Thermonatrite -13.59 -13.47 0.13 Na2CO3:H2O Trona -18.90 -30.02 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 5. ------------------------------------ SELECTED_OUTPUT reset false file ok.sel solution ph totals Cl Na Ca As molalities Hfo_wOH2+ NaX CaX2 MgX2 equilibrium_phases Calcite Dolomite USER_PUNCH headings As(ug/L) start 10 PUNCH TOT("As")*1e6*74.92 end ADVECTION cells 10 shifts 1 punch_frequency 5 warnings true END ------------------------------------ Beginning of advection calculations. ------------------------------------ Beginning of advection time step 1, cumulative pore volumes 0.100000. Cell 1. Using solution 1. Solution after simulation 4. Using exchange 1. Exchange assemblage after simulation 3. Using surface 1. Surface assemblage after simulation 3. Using pure phase assemblage 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 8.183e-002-1.817e-002 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.585e+000-1.522e-002 ------------------------------Surface composition------------------------------ Hfo 5.452e-003 Surface charge, eq 2.923e-002 sigma, C/m**2 4.180e-002 psi, V -1.627e+000 -F*psi/RT 1.965e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH 4.780e-002 0.683 4.780e-002 -1.321 Hfo_wOH2+ 1.622e-002 0.232 1.622e-002 -1.790 Hfo_wO- 3.228e-003 0.046 3.228e-003 -2.491 Hfo_wOHAsO4-3 2.125e-003 0.030 2.125e-003 -2.673 Hfo_wOHSO4-2 5.319e-004 0.008 5.318e-004 -3.274 Hfo_wSO4- 9.067e-005 0.001 9.067e-005 -4.043 Hfo_wHAsO4- 5.490e-006 0.000 5.490e-006 -5.260 Hfo_wH2AsO4 6.027e-008 0.000 6.027e-008 -7.220 Hfo_wOCa+ 1.773e-014 0.000 1.773e-014 -13.751 Hfo_wOMg+ 1.313e-014 0.000 1.313e-014 -13.882 Hfo_wH2AsO3 1.447e-033 0.000 1.447e-033 -32.840 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 8.334e-001 8.334e-001 8.334e-001 0.000 CaX2 5.677e-002 1.135e-001 1.135e-001 0.000 MgX2 2.653e-002 5.306e-002 5.306e-002 0.000 HX 9.188e-006 9.188e-006 9.188e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 9.627e-010 9.627e-010 C 5.574e-002 5.574e-002 Ca 5.025e-004 5.025e-004 Cl 1.340e-004 1.340e-004 Mg 3.552e-004 3.552e-004 Na 1.022e-001 1.022e-001 S 2.099e-004 2.099e-004 ----------------------------Description of solution---------------------------- pH = 7.053 Charge balance pe = 13.555 Adjusted to redox equilibrium Activity of water = 0.997 Ionic strength = 7.544e-002 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 4.849e-002 Total CO2 (mol/kg) = 5.574e-002 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.486e-002 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 36.80 Iterations = 11 Total H = 1.110626e+002 Total O = 5.566827e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma OH- 1.414e-007 1.128e-007 -6.850 -6.948 -0.098 H+ 1.058e-007 8.855e-008 -6.976 -7.053 -0.077 H2O 5.551e+001 9.973e-001 1.744 -0.001 0.000 As(3) 1.164e-037 H3AsO3 1.154e-037 1.174e-037 -36.938 -36.930 0.008 H2AsO3- 9.835e-040 7.845e-040 -39.007 -39.105 -0.098 HAsO3-2 0.000e+000 0.000e+000 -43.762 -44.155 -0.393 H4AsO3+ 0.000e+000 0.000e+000 -44.190 -44.288 -0.098 AsO3-3 0.000e+000 0.000e+000 -49.632 -50.516 -0.884 As(5) 9.627e-010 HAsO4-2 7.656e-010 3.098e-010 -9.116 -9.509 -0.393 H2AsO4- 1.970e-010 1.571e-010 -9.705 -9.804 -0.098 AsO4-3 6.791e-014 8.871e-015 -13.168 -14.052 -0.884 H3AsO4 2.393e-015 2.435e-015 -14.621 -14.614 0.008 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -142.601 -142.594 0.008 C(4) 5.574e-002 HCO3- 4.647e-002 3.742e-002 -1.333 -1.427 -0.094 CO2 7.341e-003 7.470e-003 -2.134 -2.127 0.008 NaHCO3 1.661e-003 1.690e-003 -2.780 -2.772 0.008 CaHCO3+ 1.000e-004 7.977e-005 -4.000 -4.098 -0.098 MgHCO3+ 6.796e-005 5.421e-005 -4.168 -4.266 -0.098 CO3-2 4.714e-005 1.982e-005 -4.327 -4.703 -0.376 NaCO3- 3.717e-005 2.964e-005 -4.430 -4.528 -0.098 CaCO3 5.454e-006 5.550e-006 -5.263 -5.256 0.008 MgCO3 2.301e-006 2.341e-006 -5.638 -5.631 0.008 Ca 5.025e-004 Ca+2 3.947e-004 1.671e-004 -3.404 -3.777 -0.373 CaHCO3+ 1.000e-004 7.977e-005 -4.000 -4.098 -0.098 CaCO3 5.454e-006 5.550e-006 -5.263 -5.256 0.008 CaSO4 2.283e-006 2.323e-006 -5.641 -5.634 0.008 CaOH+ 3.917e-010 3.124e-010 -9.407 -9.505 -0.098 CaHSO4+ 1.511e-012 1.205e-012 -11.821 -11.919 -0.098 Cl 1.340e-004 Cl- 1.340e-004 1.052e-004 -3.873 -3.978 -0.105 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -44.372 -44.365 0.008 Mg 3.552e-004 Mg+2 2.829e-004 1.238e-004 -3.548 -3.907 -0.359 MgHCO3+ 6.796e-005 5.421e-005 -4.168 -4.266 -0.098 MgCO3 2.301e-006 2.341e-006 -5.638 -5.631 0.008 MgSO4 1.987e-006 2.022e-006 -5.702 -5.694 0.008 MgOH+ 6.348e-009 5.063e-009 -8.197 -8.296 -0.098 Na 1.022e-001 Na+ 1.005e-001 8.032e-002 -0.998 -1.095 -0.097 NaHCO3 1.661e-003 1.690e-003 -2.780 -2.772 0.008 NaCO3- 3.717e-005 2.964e-005 -4.430 -4.528 -0.098 NaSO4- 3.516e-005 2.804e-005 -4.454 -4.552 -0.098 O(0) 4.374e-004 O2 2.187e-004 2.226e-004 -3.660 -3.653 0.008 S(-2) 0.000e+000 HS- 0.000e+000 0.000e+000 -142.264 -142.362 -0.098 H2S 0.000e+000 0.000e+000 -142.481 -142.474 0.008 S5-2 0.000e+000 0.000e+000 -144.636 -144.905 -0.269 S4-2 0.000e+000 0.000e+000 -144.844 -145.139 -0.294 S6-2 0.000e+000 0.000e+000 -144.943 -145.191 -0.247 S-2 0.000e+000 0.000e+000 -147.835 -148.228 -0.393 S3-2 0.000e+000 0.000e+000 -148.266 -148.592 -0.325 S2-2 0.000e+000 0.000e+000 -149.485 -149.838 -0.353 S(6) 2.099e-004 SO4-2 1.705e-004 6.966e-005 -3.768 -4.157 -0.389 NaSO4- 3.516e-005 2.804e-005 -4.454 -4.552 -0.098 CaSO4 2.283e-006 2.323e-006 -5.641 -5.634 0.008 MgSO4 1.987e-006 2.022e-006 -5.702 -5.694 0.008 HSO4- 7.519e-010 5.997e-010 -9.124 -9.222 -0.098 CaHSO4+ 1.511e-012 1.205e-012 -11.821 -11.919 -0.098 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -3.57 -7.93 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -144.91 -223.30 -78.39 As4O6 Artinite -8.02 1.58 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -35.92 -29.22 6.70 As2O5 Brucite -6.64 10.20 16.84 Mg(OH)2 Ca3(AsO4)2:4w -20.53 1.75 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -139.73 -183.66 -43.93 CH4 Claudetite -144.65 -223.30 -78.65 As4O6 CO2(g) -0.66 -18.81 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -5.93 -8.07 -2.14 MgSO4:7H2O Gypsum -3.36 -7.94 -4.58 CaSO4:2H2O H2(g) -41.21 -41.21 0.00 H2 H2O(g) -1.51 -0.00 1.51 H2O H2S(g) -141.48 -183.12 -41.64 H2S Halite -6.66 -5.07 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.49 -24.25 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -5.24 -6.36 -1.11 Na2SO4:10H2O Nahcolite -1.97 -12.85 -10.88 NaHCO3 Natron -5.59 -6.90 -1.31 Na2CO3:10H2O Nesquehonite -2.99 -8.61 -5.62 MgCO3:3H2O O2(g) -0.69 82.43 83.12 O2 Orpiment -461.13 -661.00 -199.87 As2S3 Portlandite -12.47 10.33 22.80 Ca(OH)2 Realgar -187.20 -259.55 -72.35 AsS Sulfur -106.09 -141.90 -35.81 S Thenardite -6.17 -6.35 -0.18 Na2SO4 Thermonatrite -7.02 -6.89 0.13 Na2CO3:H2O Trona -8.62 -19.75 -11.12 NaHCO3:Na2CO3:2H2O Cell 2. Using solution 2. Solution after simulation 2. Using exchange 2. Exchanger defined in simulation 3. Using surface 2. Surface defined in simulation 3. Using pure phase assemblage 2. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 3. Using solution 3. Solution after simulation 2. Using exchange 3. Exchanger defined in simulation 3. Using surface 3. Surface defined in simulation 3. Using pure phase assemblage 3. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 4. Using solution 4. Solution after simulation 2. Using exchange 4. Exchanger defined in simulation 3. Using surface 4. Surface defined in simulation 3. Using pure phase assemblage 4. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 5. Using solution 5. Solution after simulation 2. Using exchange 5. Exchanger defined in simulation 3. Using surface 5. Surface defined in simulation 3. Using pure phase assemblage 5. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 6. Using solution 6. Solution after simulation 2. Using exchange 6. Exchanger defined in simulation 3. Using surface 6. Surface defined in simulation 3. Using pure phase assemblage 6. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 7. Using solution 7. Solution after simulation 2. Using exchange 7. Exchanger defined in simulation 3. Using surface 7. Surface defined in simulation 3. Using pure phase assemblage 7. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 8. Using solution 8. Solution after simulation 2. Using exchange 8. Exchanger defined in simulation 3. Using surface 8. Surface defined in simulation 3. Using pure phase assemblage 8. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 9. Using solution 9. Solution after simulation 2. Using exchange 9. Exchanger defined in simulation 3. Using surface 9. Surface defined in simulation 3. Using pure phase assemblage 9. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O Cell 10. Using solution 10. Solution after simulation 2. Using exchange 10. Exchanger defined in simulation 3. Using surface 10. Surface defined in simulation 3. Using pure phase assemblage 10. Pp_Assemblage defined in simulation 1. -------------------------------Phase assemblage-------------------------------- Moles in assemblage Phase SI log IAP log KT Initial Final Delta Calcite 0.00 -8.48 -8.48 1.000e-001 1.000e-001 9.710e-013 Dolomite 0.00 -17.09 -17.09 1.600e+000 1.600e+000-1.117e-013 ------------------------------Surface composition------------------------------ Hfo 6.031e-002 Surface charge, eq 3.233e-001 sigma, C/m**2 4.606e-002 psi, V -1.793e+000 -F*psi/RT 1.665e-001 exp(-F*psi/RT) 6.000e+002 specific area, m**2/g 1.800e+004 m**2 for 3.000e+001 g Hfo_w 7.000e-002 moles Mole Log Species Moles Fraction Molality Molality Hfo_wOH2+ 6.293e-002 0.899 6.293e-002 -1.201 Hfo_wOH 4.336e-003 0.062 4.336e-003 -2.363 Hfo_wHAsO4- 1.302e-003 0.019 1.302e-003 -2.885 Hfo_wH2AsO4 6.116e-004 0.009 6.116e-004 -3.214 Hfo_wSO4- 5.387e-004 0.008 5.387e-004 -3.269 Hfo_wOHAsO4-3 2.167e-004 0.003 2.167e-004 -3.664 Hfo_wOHSO4-2 5.811e-005 0.001 5.811e-005 -4.236 Hfo_wO- 6.846e-006 0.000 6.846e-006 -5.165 Hfo_wOCa+ 1.147e-013 0.000 1.147e-013 -12.940 Hfo_wOMg+ 8.498e-014 0.000 8.498e-014 -13.071 Hfo_wH2AsO3 1.481e-029 0.000 1.481e-029 -28.829 -----------------------------Exchange composition------------------------------ X 1.000e+000 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 9.355e-001 9.355e-001 9.355e-001 0.000 CaX2 2.199e-002 4.398e-002 4.398e-002 0.000 MgX2 1.028e-002 2.055e-002 2.055e-002 0.000 HX 4.428e-006 4.428e-006 4.428e-006 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles As 5.000e-008 5.000e-008 C 3.514e-003 3.514e-003 Ca 4.643e-001 4.643e-001 Cl 6.642e+000 6.642e+000 Mg 1.617e-001 1.617e-001 Na 5.402e+000 5.402e+000 S 4.725e-003 4.725e-003 ----------------------------Description of solution---------------------------- pH = 5.350 Charge balance pe = 15.308 Adjusted to redox equilibrium Activity of water = 0.785 Ionic strength = 7.269e+000 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 2.441e-003 Total CO2 (mol/kg) = 3.514e-003 Temperature (deg C) = 25.000 Electrical balance (eq) = 5.095e-010 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110158e+002 Total O = 5.553511e+001 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 6.361e-006 4.471e-006 -5.196 -5.350 -0.153 OH- 3.204e-010 1.757e-009 -9.494 -8.755 0.739 H2O 5.551e+001 7.846e-001 1.744 -0.105 0.000 As(3) 1.955e-033 H3AsO3 1.955e-033 1.042e-032 -32.709 -31.982 0.727 H2AsO3- 2.515e-037 1.379e-036 -36.599 -35.860 0.739 H4AsO3+ 4.210e-039 2.309e-038 -38.376 -37.637 0.739 HAsO3-2 0.000e+000 0.000e+000 -45.569 -42.613 2.956 AsO3-3 0.000e+000 0.000e+000 -57.329 -50.677 6.652 As(5) 5.000e-008 H2AsO4- 4.995e-008 2.739e-007 -7.301 -6.562 0.739 H3AsO4 4.019e-011 2.143e-010 -10.396 -9.669 0.727 HAsO4-2 1.183e-011 1.070e-008 -10.927 -7.971 2.956 AsO4-3 1.353e-021 6.064e-015 -20.869 -14.217 6.652 C(-4) 0.000e+000 CH4 0.000e+000 0.000e+000 -143.632 -142.905 0.727 C(4) 3.514e-003 CO2 1.068e-003 5.694e-003 -2.971 -2.245 0.727 HCO3- 7.680e-004 4.444e-004 -3.115 -3.352 -0.238 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 CO3-2 4.158e-008 4.662e-009 -7.381 -8.331 -0.950 Ca 4.643e-001 Ca+2 4.619e-001 7.106e-001 -0.335 -0.148 0.187 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 CaHCO3+ 7.345e-004 4.028e-003 -3.134 -2.395 0.739 CaCO3 1.041e-006 5.550e-006 -5.983 -5.256 0.727 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 CaOH+ 3.774e-009 2.069e-008 -8.423 -7.684 0.739 Cl 6.642e+000 Cl- 6.642e+000 3.947e+000 0.822 0.596 -0.226 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -45.192 -44.465 0.727 Mg 1.617e-001 Mg+2 1.598e-001 5.263e-001 -0.796 -0.279 0.518 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 MgHCO3+ 4.991e-004 2.737e-003 -3.302 -2.563 0.739 MgCO3 4.392e-007 2.341e-006 -6.357 -5.631 0.727 MgOH+ 6.115e-008 3.353e-007 -7.214 -6.475 0.739 Na 5.402e+000 Na+ 5.401e+000 9.445e+000 0.732 0.975 0.243 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 NaHCO3 4.428e-004 2.361e-003 -3.354 -2.627 0.727 NaCO3- 1.495e-007 8.199e-007 -6.825 -6.086 0.739 O(0) 8.206e-005 O2 4.103e-005 2.188e-004 -4.387 -3.660 0.727 S(-2) 0.000e+000 H2S 0.000e+000 0.000e+000 -139.842 -139.115 0.727 HS- 0.000e+000 0.000e+000 -141.447 -140.707 0.739 S5-2 0.000e+000 0.000e+000 -144.480 -144.953 -0.473 S4-2 0.000e+000 0.000e+000 -144.629 -145.187 -0.558 S6-2 0.000e+000 0.000e+000 -144.829 -145.239 -0.410 S3-2 0.000e+000 0.000e+000 -147.960 -148.640 -0.680 S2-2 0.000e+000 0.000e+000 -149.073 -149.886 -0.813 S-2 0.000e+000 0.000e+000 -151.232 -148.276 2.956 S(6) 4.725e-003 CaSO4 1.601e-003 8.538e-003 -2.796 -2.069 0.727 MgSO4 1.394e-003 7.430e-003 -2.856 -2.129 0.727 SO4-2 1.210e-003 6.022e-005 -2.917 -4.220 -1.303 NaSO4- 5.199e-004 2.851e-003 -3.284 -2.545 0.739 CaHSO4+ 4.078e-008 2.236e-007 -7.390 -6.650 0.739 HSO4- 4.774e-009 2.618e-008 -8.321 -7.582 0.739 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT Anhydrite -0.01 -4.37 -4.36 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arsenolite -124.49 -202.88 -78.39 As4O6 Artinite -8.32 1.28 9.60 MgCO3:Mg(OH)2:3H2O As2O5 -25.72 -19.02 6.70 As2O5 Brucite -6.63 10.21 16.84 Mg(OH)2 Ca3(AsO4)2:4w -10.40 11.89 22.29 Ca3(AsO4)2:4H2O Calcite 0.00 -8.48 -8.48 CaCO3 CH4(g) -140.04 -183.98 -43.93 CH4 Claudetite -124.23 -202.88 -78.65 As4O6 CO2(g) -0.78 -18.93 -18.15 CO2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite(d) -0.55 -17.09 -16.54 CaMg(CO3)2 Epsomite -3.10 -5.24 -2.14 MgSO4:7H2O Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O H2(g) -41.32 -41.32 0.00 H2 H2O(g) -1.62 -0.11 1.51 H2O H2S(g) -138.12 -179.76 -41.64 H2S Halite -0.01 1.57 1.58 NaCl Huntite -4.34 -34.31 -29.97 CaMg3(CO3)4 Hydromagnesite -15.89 -24.65 -8.76 Mg5(CO3)4(OH)2:4H2O Magnesite -0.58 -8.61 -8.03 MgCO3 Mirabilite -2.21 -3.32 -1.11 Na2SO4:10H2O Nahcolite -1.83 -12.71 -10.88 NaHCO3 Natron -6.12 -7.43 -1.31 Na2CO3:10H2O Nesquehonite -3.31 -8.93 -5.62 MgCO3:3H2O O2(g) -0.70 82.42 83.12 O2 Orpiment -440.53 -640.40 -199.87 As2S3 Portlandite -12.46 10.34 22.80 Ca(OH)2 Realgar -178.63 -250.98 -72.35 AsS Sulfur -102.63 -138.44 -35.81 S Thenardite -2.09 -2.27 -0.18 Na2SO4 Thermonatrite -6.61 -6.49 0.13 Na2CO3:H2O Trona -8.17 -19.30 -11.12 NaHCO3:Na2CO3:2H2O ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 6. ------------------------------------ ----------- End of run. -----------