Input file: ../examples/ex16 Output file: ex16.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES GAS_BINARY_PARAMETERS EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES MEAN_GAMMAS RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ TITLE Example 16.--Inverse modeling of Sierra springs SOLUTION_SPREAD units mmol/L Number pH Si Ca Mg Na K Alkalinity S(6) Cl 1 6.2 0.273 0.078 0.029 0.134 0.028 0.328 0.01 0.014 2 6.8 0.41 0.26 0.071 0.259 0.04 0.895 0.025 0.03 INVERSE_MODELING 1 solutions 1 2 uncertainty 0.025 range phases Halite Gypsum Kaolinite precip Ca-montmorillonite precip CO2(g) Calcite Chalcedony precip Biotite dissolve Plagioclase dissolve balances Ca 0.05 0.025 PHASES Biotite KMg3AlSi3O10(OH)2 + 6H+ + 4H2O = K+ + 3Mg+2 + Al(OH)4- + 3H4SiO4 log_k 0.0 # No log_k, Inverse modeling only Plagioclase Na0.62Ca0.38Al1.38Si2.62O8 + 5.52 H+ + 2.48H2O = 0.62Na+ + 0.38Ca+2 + 1.38Al+3 + 2.62H4SiO4 log_k 0.0 # No log_k, inverse modeling only END ----- TITLE ----- Example 16.--Inverse modeling of Sierra springs ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 3.280e-04 3.280e-04 Ca 7.800e-05 7.800e-05 Cl 1.400e-05 1.400e-05 K 2.800e-05 2.800e-05 Mg 2.900e-05 2.900e-05 Na 1.340e-04 1.340e-04 S(6) 1.000e-05 1.000e-05 Si 2.730e-04 2.730e-04 ----------------------------Description of solution---------------------------- pH = 6.200 pe = 4.000 Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.856e-04 Mass of water (kg) = 1.000e+00 Total carbon (mol/kg) = 7.828e-04 Total CO2 (mol/kg) = 7.828e-04 Temperature (°C) = 25.00 Electrical balance (eq) = 1.400e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90 Iterations = 8 Total H = 1.110139e+02 Total O = 5.550924e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00 OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(4) 7.828e-04 CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43 HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57 MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47 CaHCO3+ 8.919e-08 8.700e-08 -7.050 -7.060 -0.011 9.66 NaHCO3 3.643e-08 3.644e-08 -7.439 -7.438 0.000 31.73 CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97 KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03 (CO2)2 3.787e-09 3.788e-09 -8.422 -8.422 0.000 68.87 CaCO3 2.816e-09 2.816e-09 -8.550 -8.550 0.000 -14.60 MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09 Ca 7.800e-05 Ca+2 7.782e-05 7.044e-05 -4.109 -4.152 -0.043 -18.17 CaHCO3+ 8.919e-08 8.700e-08 -7.050 -7.060 -0.011 9.66 CaSO4 8.745e-08 8.746e-08 -7.058 -7.058 0.000 7.22 CaCO3 2.816e-09 2.816e-09 -8.550 -8.550 0.000 -14.60 CaOH+ 1.900e-11 1.853e-11 -10.721 -10.732 -0.011 (0) CaHSO4+ 4.742e-13 4.624e-13 -12.324 -12.335 -0.011 (0) Cl 1.400e-05 Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07 HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0) H(0) 5.636e-24 H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61 K 2.800e-05 K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00 KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03 KSO4- 3.790e-09 3.697e-09 -8.421 -8.432 -0.011 17.92 Mg 2.900e-05 Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86 MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47 MgSO4 6.085e-08 6.086e-08 -7.216 -7.216 0.000 -0.40 MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09 MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0) Mg(SO4)2-2 1.969e-12 1.784e-12 -11.706 -11.749 -0.043 32.82 Na 1.340e-04 Na+ 1.340e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.644e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.048e-08 1.022e-08 -7.980 -7.991 -0.011 16.53 Na2SO4 6.507e-16 6.508e-16 -15.187 -15.187 0.000 47.96 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.263 -45.263 0.000 30.40 S(6) 1.000e-05 SO4-2 9.837e-06 8.902e-06 -5.007 -5.051 -0.043 14.51 CaSO4 8.745e-08 8.746e-08 -7.058 -7.058 0.000 7.22 MgSO4 6.085e-08 6.086e-08 -7.216 -7.216 0.000 -0.40 NaSO4- 1.048e-08 1.022e-08 -7.980 -7.991 -0.011 16.53 KSO4- 3.790e-09 3.697e-09 -8.421 -8.432 -0.011 17.92 HSO4- 5.600e-10 5.461e-10 -9.252 -9.263 -0.011 40.27 Mg(SO4)2-2 1.969e-12 1.784e-12 -11.706 -11.749 -0.043 32.82 CaHSO4+ 4.742e-13 4.624e-13 -12.324 -12.335 -0.011 (0) Na2SO4 6.507e-16 6.508e-16 -15.187 -15.187 0.000 47.96 Si 2.730e-04 H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08 H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96 H2SiO4-2 7.598e-15 6.877e-15 -14.119 -14.163 -0.043 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -4.89 -9.20 -4.31 CaSO4 Aragonite -3.44 -11.78 -8.34 CaCO3 Arcanite -12.30 -14.18 -1.88 K2SO4 Calcite -3.30 -11.78 -8.48 CaCO3 Chalcedony -0.01 -3.56 -3.55 SiO2 Chrysotile -15.88 16.32 32.20 Mg3Si2O5(OH)4 CO2(g) -1.87 -3.34 -1.47 CO2 Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2 Epsomite -7.90 -9.63 -1.74 MgSO4:7H2O Gypsum -4.65 -9.20 -4.55 CaSO4:2H2O H2(g) -20.45 -23.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -10.32 -8.75 1.57 NaCl Hexahydrite -8.07 -9.63 -1.57 MgSO4:6H2O Kieserite -8.47 -9.63 -1.16 MgSO4:H2O Mirabilite -12.11 -12.82 -0.71 Na2SO4:10H2O O2(g) -42.37 -45.26 -2.89 O2 Quartz 0.42 -3.56 -3.98 SiO2 Sepiolite -10.82 4.94 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -13.72 4.94 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -0.85 -3.56 -2.71 SiO2 Sylvite -10.33 -9.43 0.90 KCl Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2 Thenardite -13.47 -12.82 0.65 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Initial solution 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Alkalinity 8.951e-04 8.951e-04 Ca 2.600e-04 2.600e-04 Cl 3.000e-05 3.000e-05 K 4.000e-05 4.000e-05 Mg 7.101e-05 7.101e-05 Na 2.590e-04 2.590e-04 S(6) 2.500e-05 2.500e-05 Si 4.100e-04 4.100e-04 ----------------------------Description of solution---------------------------- pH = 6.800 pe = 4.000 Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 Viscosity (mPa s) = 0.89117 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 Total carbon (mol/kg) = 1.200e-03 Total CO2 (mol/kg) = 1.200e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.400e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73 Iterations = 6 (14 overall) Total H = 1.110150e+02 Total O = 5.551125e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00 OH- 6.653e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 C(4) 1.200e-03 HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58 CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43 CaHCO3+ 7.579e-07 7.283e-07 -6.120 -6.138 -0.017 9.67 MgHCO3+ 6.240e-07 5.992e-07 -6.205 -6.222 -0.018 5.48 CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 CaCO3 9.383e-08 9.386e-08 -7.028 -7.028 0.000 -14.60 KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03 MgCO3 1.445e-08 1.446e-08 -7.840 -7.840 0.000 -17.09 (CO2)2 1.713e-09 1.713e-09 -8.766 -8.766 0.000 68.87 Ca 2.600e-04 Ca+2 2.585e-04 2.202e-04 -3.587 -3.657 -0.070 -18.13 CaHCO3+ 7.579e-07 7.283e-07 -6.120 -6.138 -0.017 9.67 CaSO4 6.274e-07 6.275e-07 -6.202 -6.202 0.000 7.22 CaCO3 9.383e-08 9.386e-08 -7.028 -7.028 0.000 -14.60 CaOH+ 2.402e-10 2.306e-10 -9.619 -9.637 -0.018 (0) CaHSO4+ 8.680e-13 8.334e-13 -12.061 -12.079 -0.018 (0) Cl 3.000e-05 Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08 HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0) H(0) 3.555e-25 H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61 K 4.000e-05 K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01 KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03 KSO4- 1.241e-08 1.193e-08 -7.906 -7.923 -0.017 18.52 Mg 7.101e-05 Mg+2 7.005e-05 5.973e-05 -4.155 -4.224 -0.069 -21.81 MgHCO3+ 6.240e-07 5.992e-07 -6.205 -6.222 -0.018 5.48 MgSO4 3.193e-07 3.194e-07 -6.496 -6.496 0.000 -0.40 MgCO3 1.445e-08 1.446e-08 -7.840 -7.840 0.000 -17.09 MgOH+ 1.423e-09 1.368e-09 -8.847 -8.864 -0.017 (0) Mg(SO4)2-2 2.515e-11 2.149e-11 -10.599 -10.668 -0.068 34.32 Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 4.645e-08 4.460e-08 -7.333 -7.351 -0.018 16.62 Na2SO4 5.404e-15 5.405e-15 -14.267 -14.267 0.000 47.96 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.863 -42.863 0.000 30.40 S(6) 2.500e-05 SO4-2 2.400e-05 2.043e-05 -4.620 -4.690 -0.070 14.54 CaSO4 6.274e-07 6.275e-07 -6.202 -6.202 0.000 7.22 MgSO4 3.193e-07 3.194e-07 -6.496 -6.496 0.000 -0.40 NaSO4- 4.645e-08 4.460e-08 -7.333 -7.351 -0.018 16.62 KSO4- 1.241e-08 1.193e-08 -7.906 -7.923 -0.017 18.52 HSO4- 3.278e-10 3.148e-10 -9.484 -9.502 -0.018 40.28 Mg(SO4)2-2 2.515e-11 2.149e-11 -10.599 -10.668 -0.068 34.32 CaHSO4+ 8.680e-13 8.334e-13 -12.061 -12.079 -0.018 (0) Na2SO4 5.404e-15 5.405e-15 -14.267 -14.267 0.000 47.96 Si 4.100e-04 H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08 H3SiO4- 3.971e-07 3.812e-07 -6.401 -6.419 -0.018 27.98 H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.070 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -4.03 -8.35 -4.31 CaSO4 Aragonite -1.92 -10.25 -8.34 CaCO3 Arcanite -11.64 -13.52 -1.88 K2SO4 Calcite -1.77 -10.25 -8.48 CaCO3 Chalcedony 0.16 -3.39 -3.55 SiO2 Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4 CO2(g) -2.05 -3.51 -1.47 CO2 Dolomite -3.99 -21.07 -17.08 CaMg(CO3)2 Epsomite -7.18 -8.91 -1.74 MgSO4:7H2O Gypsum -3.80 -8.35 -4.55 CaSO4:2H2O H2(g) -21.65 -24.75 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -9.72 -8.15 1.57 NaCl Hexahydrite -7.35 -8.91 -1.57 MgSO4:6H2O Kieserite -7.75 -8.91 -1.16 MgSO4:H2O Mirabilite -11.19 -11.90 -0.71 Na2SO4:10H2O O2(g) -39.97 -42.86 -2.89 O2 Quartz 0.59 -3.39 -3.98 SiO2 Sepiolite -7.17 8.59 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -10.07 8.59 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -0.68 -3.39 -2.71 SiO2 Sylvite -9.86 -8.96 0.90 KCl Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2 Thenardite -12.55 -11.90 0.65 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. --------------------------------------------- Beginning of inverse modeling 1 calculations. --------------------------------------------- Using Cl1 standard precision optimization routine. Solution 1: Input Delta Input+Delta pH 6.200e+00 + 0.000e+00 = 6.200e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 7.828e-04 + 0.000e+00 = 7.828e-04 Ca 7.800e-05 + -2.550e-06 = 7.545e-05 Cl 1.400e-05 + 0.000e+00 = 1.400e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 2.800e-05 + -7.000e-07 = 2.730e-05 Mg 2.900e-05 + 0.000e+00 = 2.900e-05 Na 1.340e-04 + 0.000e+00 = 1.340e-04 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 1.000e-05 + 0.000e+00 = 1.000e-05 Si 2.730e-04 + 0.000e+00 = 2.730e-04 Solution 2: Input Delta Input+Delta pH 6.800e+00 + 0.000e+00 = 6.800e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Cl 3.000e-05 + 0.000e+00 = 3.000e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 4.000e-05 + 1.000e-06 = 4.100e-05 Mg 7.101e-05 + -8.979e-07 = 7.011e-05 Na 2.590e-04 + 0.000e+00 = 2.590e-04 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 2.500e-05 + 0.000e+00 = 2.500e-05 Si 4.100e-04 + 0.000e+00 = 4.100e-04 Solution fractions: Minimum Maximum Solution 1 1.000e+00 1.000e+00 1.000e+00 Solution 2 1.000e+00 1.000e+00 1.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72) Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.65, -3.80) Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , ) Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , ) CO2(g) 3.009e-04 2.365e-04 3.659e-04 CO2 ( -1.87, -2.05) Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.77) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) Redox mole transfers: Sum of residuals (epsilons in documentation): 4.821e+00 Sum of delta/uncertainty limit: 4.821e+00 Maximum fractional error in element concentration: 3.269e-02 Model contains minimum number of phases. =============================================================================== Solution 1: Input Delta Input+Delta pH 6.200e+00 + 0.000e+00 = 6.200e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 7.828e-04 + 0.000e+00 = 7.828e-04 Ca 7.800e-05 + -2.550e-06 = 7.545e-05 Cl 1.400e-05 + 0.000e+00 = 1.400e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 2.800e-05 + -7.000e-07 = 2.730e-05 Mg 2.900e-05 + 0.000e+00 = 2.900e-05 Na 1.340e-04 + 0.000e+00 = 1.340e-04 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 1.000e-05 + 0.000e+00 = 1.000e-05 Si 2.730e-04 + 0.000e+00 = 2.730e-04 Solution 2: Input Delta Input+Delta pH 6.800e+00 + 0.000e+00 = 6.800e+00 Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Cl 3.000e-05 + 0.000e+00 = 3.000e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 K 4.000e-05 + 1.000e-06 = 4.100e-05 Mg 7.101e-05 + -8.980e-07 = 7.011e-05 Na 2.590e-04 + 0.000e+00 = 2.590e-04 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00 S(6) 2.500e-05 + 0.000e+00 = 2.500e-05 Si 4.100e-04 + 0.000e+00 = 4.100e-04 Solution fractions: Minimum Maximum Solution 1 1.000e+00 1.000e+00 1.000e+00 Solution 2 1.000e+00 1.000e+00 1.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm) Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72) Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.65, -3.80) Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , ) CO2(g) 3.143e-04 2.493e-04 3.798e-04 CO2 ( -1.87, -2.05) Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.77) Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) Redox mole transfers: Sum of residuals (epsilons in documentation): 4.821e+00 Sum of delta/uncertainty limit: 4.821e+00 Maximum fractional error in element concentration: 3.269e-02 Model contains minimum number of phases. =============================================================================== Summary of inverse modeling: Number of models found: 2 Number of minimal models found: 2 Number of infeasible sets of phases saved: 20 Number of calls to cl1: 62 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------