Input file: ../examples/ex11 Output file: ex11.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ PRINT TITLE Example 11.--Transport and ion exchange. SOLUTION 0 CaCl2 units mmol/kgw temp 25.0 pH 7.0 charge pe 12.5 O2(g) -0.68 Ca 0.6 Cl 1.2 SOLUTION 1-40 Initial solution for column units mmol/kgw temp 25.0 pH 7.0 charge pe 12.5 O2(g) -0.68 Na 1.0 K 0.2 N(5) 1.2 EXCHANGE 1-40 equilibrate 1 X 0.0011 ADVECTION cells 40 shifts 120 punch_cells 40 punch_frequency 1 print_cells 40 print_frequency 20 SELECTED_OUTPUT file ex11adv.sel reset false step totals Na Cl K Ca USER_PUNCH heading Pore_vol 10 PUNCH (STEP_NO + .5) / 40. END ----- TITLE ----- Example 11.--Transport and ion exchange. ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 0. CaCl2 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Equilibrium with O2(g) Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.152e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 4.100e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 6.000e-04 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -0.68 -3.57 -2.89 O2 Initial solution 1. Initial solution for column -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N(5) 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Equilibrium with O2(g) Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.547e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = -8.377e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -0.68 -3.57 -2.89 O2 ------------------------------------------------------- Beginning of initial exchange-composition calculations. ------------------------------------------------------- Exchange 1. X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 0. CaCl2 Using exchange 1. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 4.933e-04 9.866e-04 8.969e-01 -0.069 KX 9.224e-05 9.224e-05 8.385e-02 -0.018 NaX 2.120e-05 2.120e-05 1.928e-02 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 1.067e-04 1.067e-04 Cl 1.200e-03 1.200e-03 K 4.584e-04 4.584e-04 Na 5.281e-04 5.281e-04 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 159 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.307e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.479e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 9.601e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.042e-07 1.003e-07 -6.982 -6.999 -0.017 OH- 1.040e-07 9.983e-08 -6.983 -7.001 -0.018 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 1.067e-04 Ca+2 1.067e-04 9.098e-05 -3.972 -4.041 -0.069 CaOH+ 1.568e-10 1.506e-10 -9.805 -9.822 -0.018 Cl 1.200e-03 Cl- 1.200e-03 1.152e-03 -2.921 -2.938 -0.018 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 4.584e-04 K+ 4.584e-04 4.402e-04 -3.339 -3.356 -0.018 KOH 1.522e-11 1.522e-11 -10.818 -10.818 0.000 Na 5.281e-04 Na+ 5.281e-04 5.073e-04 -3.277 -3.295 -0.017 NaOH 3.342e-11 3.343e-11 -10.476 -10.476 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -7.82 -6.23 1.58 NaCl O2(g) -0.68 -3.57 -2.89 O2 ------------------------------------ Beginning of advection calculations. ------------------------------------ Beginning of advection time step 1, cumulative pore volumes 0.025000. Beginning of advection time step 2, cumulative pore volumes 0.050000. Beginning of advection time step 3, cumulative pore volumes 0.075000. Beginning of advection time step 4, cumulative pore volumes 0.100000. Beginning of advection time step 5, cumulative pore volumes 0.125000. Beginning of advection time step 6, cumulative pore volumes 0.150000. Beginning of advection time step 7, cumulative pore volumes 0.175000. Beginning of advection time step 8, cumulative pore volumes 0.200000. Beginning of advection time step 9, cumulative pore volumes 0.225000. Beginning of advection time step 10, cumulative pore volumes 0.250000. Beginning of advection time step 11, cumulative pore volumes 0.275000. Beginning of advection time step 12, cumulative pore volumes 0.300000. Beginning of advection time step 13, cumulative pore volumes 0.325000. Beginning of advection time step 14, cumulative pore volumes 0.350000. Beginning of advection time step 15, cumulative pore volumes 0.375000. Beginning of advection time step 16, cumulative pore volumes 0.400000. Beginning of advection time step 17, cumulative pore volumes 0.425000. Beginning of advection time step 18, cumulative pore volumes 0.450000. Beginning of advection time step 19, cumulative pore volumes 0.475000. Beginning of advection time step 20, cumulative pore volumes 0.500000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 NH4X 3.038e-63 3.038e-63 2.761e-60 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.547e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = -3.321e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 N(0) 1.729e-19 N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000 N(3) 2.485e-16 NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O N2(g) -15.80 -19.06 -3.26 N2 NH3(g) -66.89 -65.12 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Beginning of advection time step 21, cumulative pore volumes 0.525000. Beginning of advection time step 22, cumulative pore volumes 0.550000. Beginning of advection time step 23, cumulative pore volumes 0.575000. Beginning of advection time step 24, cumulative pore volumes 0.600000. Beginning of advection time step 25, cumulative pore volumes 0.625000. Beginning of advection time step 26, cumulative pore volumes 0.650000. Beginning of advection time step 27, cumulative pore volumes 0.675000. Beginning of advection time step 28, cumulative pore volumes 0.700000. Beginning of advection time step 29, cumulative pore volumes 0.725000. Beginning of advection time step 30, cumulative pore volumes 0.750000. Beginning of advection time step 31, cumulative pore volumes 0.775000. Beginning of advection time step 32, cumulative pore volumes 0.800000. Beginning of advection time step 33, cumulative pore volumes 0.825000. Beginning of advection time step 34, cumulative pore volumes 0.850000. Beginning of advection time step 35, cumulative pore volumes 0.875000. Beginning of advection time step 36, cumulative pore volumes 0.900000. Beginning of advection time step 37, cumulative pore volumes 0.925000. Beginning of advection time step 38, cumulative pore volumes 0.950000. Beginning of advection time step 39, cumulative pore volumes 0.975000. Beginning of advection time step 40, cumulative pore volumes 1.000000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 1.200e-03 1.200e-03 K 2.000e-04 2.000e-04 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 152 Density (g/cm3) = 0.99710 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -3.904e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 2.960e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Cl 1.200e-03 Cl- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -7.54 -5.95 1.58 NaCl O2(g) -0.68 -3.57 -2.89 O2 Beginning of advection time step 41, cumulative pore volumes 1.025000. Beginning of advection time step 42, cumulative pore volumes 1.050000. Beginning of advection time step 43, cumulative pore volumes 1.075000. Beginning of advection time step 44, cumulative pore volumes 1.100000. Beginning of advection time step 45, cumulative pore volumes 1.125000. Beginning of advection time step 46, cumulative pore volumes 1.150000. Beginning of advection time step 47, cumulative pore volumes 1.175000. Beginning of advection time step 48, cumulative pore volumes 1.200000. Beginning of advection time step 49, cumulative pore volumes 1.225000. Beginning of advection time step 50, cumulative pore volumes 1.250000. Beginning of advection time step 51, cumulative pore volumes 1.275000. Beginning of advection time step 52, cumulative pore volumes 1.300000. Beginning of advection time step 53, cumulative pore volumes 1.325000. Beginning of advection time step 54, cumulative pore volumes 1.350000. Beginning of advection time step 55, cumulative pore volumes 1.375000. Beginning of advection time step 56, cumulative pore volumes 1.400000. Beginning of advection time step 57, cumulative pore volumes 1.425000. Beginning of advection time step 58, cumulative pore volumes 1.450000. Beginning of advection time step 59, cumulative pore volumes 1.475000. Beginning of advection time step 60, cumulative pore volumes 1.500000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 7.000e-04 7.000e-04 6.363e-01 -0.017 NaX 4.000e-04 4.000e-04 3.637e-01 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 1.200e-03 1.200e-03 K 3.105e-04 3.105e-04 Na 8.895e-04 8.895e-04 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99710 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.827e-18 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.548e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Cl 1.200e-03 Cl- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 3.105e-04 K+ 3.105e-04 2.986e-04 -3.508 -3.525 -0.017 KOH 1.033e-11 1.033e-11 -10.986 -10.986 0.000 Na 8.895e-04 Na+ 8.895e-04 8.558e-04 -3.051 -3.068 -0.017 NaOH 5.641e-11 5.643e-11 -10.249 -10.249 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -7.59 -6.01 1.58 NaCl O2(g) -0.68 -3.57 -2.89 O2 Beginning of advection time step 61, cumulative pore volumes 1.525000. Beginning of advection time step 62, cumulative pore volumes 1.550000. Beginning of advection time step 63, cumulative pore volumes 1.575000. Beginning of advection time step 64, cumulative pore volumes 1.600000. Beginning of advection time step 65, cumulative pore volumes 1.625000. Beginning of advection time step 66, cumulative pore volumes 1.650000. Beginning of advection time step 67, cumulative pore volumes 1.675000. Beginning of advection time step 68, cumulative pore volumes 1.700000. Beginning of advection time step 69, cumulative pore volumes 1.725000. Beginning of advection time step 70, cumulative pore volumes 1.750000. Beginning of advection time step 71, cumulative pore volumes 1.775000. Beginning of advection time step 72, cumulative pore volumes 1.800000. Beginning of advection time step 73, cumulative pore volumes 1.825000. Beginning of advection time step 74, cumulative pore volumes 1.850000. Beginning of advection time step 75, cumulative pore volumes 1.875000. Beginning of advection time step 76, cumulative pore volumes 1.900000. Beginning of advection time step 77, cumulative pore volumes 1.925000. Beginning of advection time step 78, cumulative pore volumes 1.950000. Beginning of advection time step 79, cumulative pore volumes 1.975000. Beginning of advection time step 80, cumulative pore volumes 2.000000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.500e-04 1.100e-03 1.000e+00 -0.081 KX 6.870e-09 6.870e-09 6.246e-06 -0.021 NaX 2.513e-21 2.513e-21 2.285e-18 -0.020 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 K 7.667e-08 7.667e-08 Na 1.406e-19 1.406e-19 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.639e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.131e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 6.000e-04 Ca+2 6.000e-04 4.984e-04 -3.222 -3.302 -0.081 CaOH+ 8.617e-10 8.220e-10 -9.065 -9.085 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 7.667e-08 K+ 7.667e-08 7.312e-08 -7.115 -7.136 -0.021 KOH 2.519e-15 2.520e-15 -14.599 -14.599 0.000 Na 1.406e-19 Na+ 1.406e-19 1.341e-19 -18.852 -18.872 -0.020 NaOH 8.804e-27 8.807e-27 -26.055 -26.055 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -23.40 -21.81 1.58 NaCl O2(g) -0.68 -3.57 -2.89 O2 Beginning of advection time step 81, cumulative pore volumes 2.025000. Beginning of advection time step 82, cumulative pore volumes 2.050000. Beginning of advection time step 83, cumulative pore volumes 2.075000. Beginning of advection time step 84, cumulative pore volumes 2.100000. Beginning of advection time step 85, cumulative pore volumes 2.125000. Beginning of advection time step 86, cumulative pore volumes 2.150000. Beginning of advection time step 87, cumulative pore volumes 2.175000. Beginning of advection time step 88, cumulative pore volumes 2.200000. Beginning of advection time step 89, cumulative pore volumes 2.225000. Beginning of advection time step 90, cumulative pore volumes 2.250000. Beginning of advection time step 91, cumulative pore volumes 2.275000. Beginning of advection time step 92, cumulative pore volumes 2.300000. Beginning of advection time step 93, cumulative pore volumes 2.325000. Beginning of advection time step 94, cumulative pore volumes 2.350000. Beginning of advection time step 95, cumulative pore volumes 2.375000. Beginning of advection time step 96, cumulative pore volumes 2.400000. Beginning of advection time step 97, cumulative pore volumes 2.425000. Beginning of advection time step 98, cumulative pore volumes 2.450000. Beginning of advection time step 99, cumulative pore volumes 2.475000. Beginning of advection time step 100, cumulative pore volumes 2.500000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.500e-04 1.100e-03 1.000e+00 -0.081 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.152e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 4.100e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 6.000e-04 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -0.68 -3.57 -2.89 O2 Beginning of advection time step 101, cumulative pore volumes 2.525000. Beginning of advection time step 102, cumulative pore volumes 2.550000. Beginning of advection time step 103, cumulative pore volumes 2.575000. Beginning of advection time step 104, cumulative pore volumes 2.600000. Beginning of advection time step 105, cumulative pore volumes 2.625000. Beginning of advection time step 106, cumulative pore volumes 2.650000. Beginning of advection time step 107, cumulative pore volumes 2.675000. Beginning of advection time step 108, cumulative pore volumes 2.700000. Beginning of advection time step 109, cumulative pore volumes 2.725000. Beginning of advection time step 110, cumulative pore volumes 2.750000. Beginning of advection time step 111, cumulative pore volumes 2.775000. Beginning of advection time step 112, cumulative pore volumes 2.800000. Beginning of advection time step 113, cumulative pore volumes 2.825000. Beginning of advection time step 114, cumulative pore volumes 2.850000. Beginning of advection time step 115, cumulative pore volumes 2.875000. Beginning of advection time step 116, cumulative pore volumes 2.900000. Beginning of advection time step 117, cumulative pore volumes 2.925000. Beginning of advection time step 118, cumulative pore volumes 2.950000. Beginning of advection time step 119, cumulative pore volumes 2.975000. Beginning of advection time step 120, cumulative pore volumes 3.000000. Cell 40. Using solution 40. Solution after simulation 1. Using exchange 40. Exchange assemblage after simulation 1. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.500e-04 1.100e-03 1.000e+00 -0.081 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.152e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 4.100e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 6.000e-04 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -0.68 -3.57 -2.89 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ SOLUTION 1-40 Initial solution for column units mmol/kgw temp 25.0 pH 7.0 charge pe 12.5 O2(g) -0.68 Na 1.0 K 0.2 N(5) 1.2 EXCHANGE 1-40 equilibrate 1 X 0.0011 TRANSPORT cells 40 length 0.002 shifts 120 time_step 720.0 flow_direction forward boundary_conditions flux flux diffc 0.0e-9 dispersivity 0.002 correct_disp true punch 40 punch_frequency 1 print 40 print_frequency 20 SELECTED_OUTPUT WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. file ex11trn.sel reset false step totals Na Cl K Ca END ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 1. Initial solution for column -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N(5) 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Equilibrium with O2(g) Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.547e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = -8.377e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O O2(g) -0.68 -3.57 -2.89 O2 ------------------------------------------------------- Beginning of initial exchange-composition calculations. ------------------------------------------------------- Exchange 1. X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 1. Initial solution for column Using exchange 1. Exchange assemblage after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 NH4X 3.038e-63 3.038e-63 2.761e-60 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.547e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = -3.325e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 N(0) 1.729e-19 N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000 N(3) 2.485e-16 NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O N2(g) -15.80 -19.06 -3.26 N2 NH3(g) -66.89 -65.12 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 ------------------------------------ Beginning of transport calculations. ------------------------------------ ------------------------------- Equilibrating initial solutions ------------------------------- Using solution 40. Initial solution for column Using exchange 40. Exchanger defined in simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 NH4X 3.038e-63 3.038e-63 2.761e-60 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.547e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = -3.325e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 N(0) 1.729e-19 N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000 N(3) 2.485e-16 NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O N2(g) -15.80 -19.06 -3.26 N2 NH3(g) -66.89 -65.12 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 1. Transport step 1. Mixrun 1. Transport step 1. Mixrun 2. Transport step 1. Mixrun 3. Transport step 1. Mixrun 4. Transport step 2. Transport step 2. Mixrun 1. Transport step 2. Mixrun 2. Transport step 2. Mixrun 3. Transport step 2. Mixrun 4. Transport step 3. Transport step 3. Mixrun 1. Transport step 3. Mixrun 2. Transport step 3. Mixrun 3. Transport step 3. Mixrun 4. Transport step 4. Transport step 4. Mixrun 1. Transport step 4. Mixrun 2. Transport step 4. Mixrun 3. Transport step 4. Mixrun 4. Transport step 5. Transport step 5. Mixrun 1. Transport step 5. Mixrun 2. Transport step 5. Mixrun 3. Transport step 5. Mixrun 4. Transport step 6. Transport step 6. Mixrun 1. Transport step 6. Mixrun 2. Transport step 6. Mixrun 3. Transport step 6. Mixrun 4. Transport step 7. Transport step 7. Mixrun 1. Transport step 7. Mixrun 2. Transport step 7. Mixrun 3. Transport step 7. Mixrun 4. Transport step 8. Transport step 8. Mixrun 1. Transport step 8. Mixrun 2. Transport step 8. Mixrun 3. Transport step 8. Mixrun 4. Transport step 9. Transport step 9. Mixrun 1. Transport step 9. Mixrun 2. Transport step 9. Mixrun 3. Transport step 9. Mixrun 4. Transport step 10. Transport step 10. Mixrun 1. Transport step 10. Mixrun 2. Transport step 10. Mixrun 3. Transport step 10. Mixrun 4. Transport step 11. Transport step 11. Mixrun 1. Transport step 11. Mixrun 2. Transport step 11. Mixrun 3. Transport step 11. Mixrun 4. Transport step 12. Transport step 12. Mixrun 1. Transport step 12. Mixrun 2. Transport step 12. Mixrun 3. Transport step 12. Mixrun 4. Transport step 13. Transport step 13. Mixrun 1. Transport step 13. Mixrun 2. Transport step 13. Mixrun 3. Transport step 13. Mixrun 4. Transport step 14. Transport step 14. Mixrun 1. Transport step 14. Mixrun 2. Transport step 14. Mixrun 3. Transport step 14. Mixrun 4. Transport step 15. Transport step 15. Mixrun 1. Transport step 15. Mixrun 2. Transport step 15. Mixrun 3. Transport step 15. Mixrun 4. Transport step 16. Transport step 16. Mixrun 1. Transport step 16. Mixrun 2. Transport step 16. Mixrun 3. Transport step 16. Mixrun 4. Transport step 17. Transport step 17. Mixrun 1. Transport step 17. Mixrun 2. Transport step 17. Mixrun 3. Transport step 17. Mixrun 4. Transport step 18. Transport step 18. Mixrun 1. Transport step 18. Mixrun 2. Transport step 18. Mixrun 3. Transport step 18. Mixrun 4. Transport step 19. Transport step 19. Mixrun 1. Transport step 19. Mixrun 2. Transport step 19. Mixrun 3. Transport step 19. Mixrun 4. Transport step 20. Transport step 20. Mixrun 1. Transport step 20. Mixrun 2. Transport step 20. Mixrun 3. Transport step 20. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 NH4X 3.033e-63 3.033e-63 2.757e-60 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 1.848e-06 1.848e-06 K 2.000e-04 2.000e-04 N 1.198e-03 1.198e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99706 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.964e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 1.566e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Cl 1.848e-06 Cl- 1.848e-06 1.777e-06 -5.733 -5.750 -0.017 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -62.858 -62.875 -0.017 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000 N(0) 1.724e-19 N2 8.618e-20 8.620e-20 -19.065 -19.064 0.000 N(3) 2.481e-16 NO2- 2.481e-16 2.386e-16 -15.605 -15.622 -0.017 N(5) 1.198e-03 NO3- 1.198e-03 1.152e-03 -2.921 -2.939 -0.017 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -10.35 -8.77 1.58 NaCl N2(g) -15.80 -19.06 -3.26 N2 NH3(g) -66.89 -65.12 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 21. Transport step 21. Mixrun 1. Transport step 21. Mixrun 2. Transport step 21. Mixrun 3. Transport step 21. Mixrun 4. Transport step 22. Transport step 22. Mixrun 1. Transport step 22. Mixrun 2. Transport step 22. Mixrun 3. Transport step 22. Mixrun 4. Transport step 23. Transport step 23. Mixrun 1. Transport step 23. Mixrun 2. Transport step 23. Mixrun 3. Transport step 23. Mixrun 4. Transport step 24. Transport step 24. Mixrun 1. Transport step 24. Mixrun 2. Transport step 24. Mixrun 3. Transport step 24. Mixrun 4. Transport step 25. Transport step 25. Mixrun 1. Transport step 25. Mixrun 2. Transport step 25. Mixrun 3. Transport step 25. Mixrun 4. Transport step 26. Transport step 26. Mixrun 1. Transport step 26. Mixrun 2. Transport step 26. Mixrun 3. Transport step 26. Mixrun 4. Transport step 27. Transport step 27. Mixrun 1. Transport step 27. Mixrun 2. Transport step 27. Mixrun 3. Transport step 27. Mixrun 4. Transport step 28. Transport step 28. Mixrun 1. Transport step 28. Mixrun 2. Transport step 28. Mixrun 3. Transport step 28. Mixrun 4. Transport step 29. Transport step 29. Mixrun 1. Transport step 29. Mixrun 2. Transport step 29. Mixrun 3. Transport step 29. Mixrun 4. Transport step 30. Transport step 30. Mixrun 1. Transport step 30. Mixrun 2. Transport step 30. Mixrun 3. Transport step 30. Mixrun 4. Transport step 31. Transport step 31. Mixrun 1. Transport step 31. Mixrun 2. Transport step 31. Mixrun 3. Transport step 31. Mixrun 4. Transport step 32. Transport step 32. Mixrun 1. Transport step 32. Mixrun 2. Transport step 32. Mixrun 3. Transport step 32. Mixrun 4. Transport step 33. Transport step 33. Mixrun 1. Transport step 33. Mixrun 2. Transport step 33. Mixrun 3. Transport step 33. Mixrun 4. Transport step 34. Transport step 34. Mixrun 1. Transport step 34. Mixrun 2. Transport step 34. Mixrun 3. Transport step 34. Mixrun 4. Transport step 35. Transport step 35. Mixrun 1. Transport step 35. Mixrun 2. Transport step 35. Mixrun 3. Transport step 35. Mixrun 4. Transport step 36. Transport step 36. Mixrun 1. Transport step 36. Mixrun 2. Transport step 36. Mixrun 3. Transport step 36. Mixrun 4. Transport step 37. Transport step 37. Mixrun 1. Transport step 37. Mixrun 2. Transport step 37. Mixrun 3. Transport step 37. Mixrun 4. Transport step 38. Transport step 38. Mixrun 1. Transport step 38. Mixrun 2. Transport step 38. Mixrun 3. Transport step 38. Mixrun 4. Transport step 39. Transport step 39. Mixrun 1. Transport step 39. Mixrun 2. Transport step 39. Mixrun 3. Transport step 39. Mixrun 4. Transport step 40. Transport step 40. Mixrun 1. Transport step 40. Mixrun 2. Transport step 40. Mixrun 3. Transport step 40. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.512e-04 5.512e-04 5.011e-01 -0.017 NaX 5.488e-04 5.488e-04 4.989e-01 -0.017 NH4X 1.315e-63 1.315e-63 1.196e-60 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 6.801e-04 6.801e-04 K 2.004e-04 2.004e-04 N 5.199e-04 5.199e-04 Na 9.996e-04 9.996e-04 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 150 Density (g/cm3) = 0.99709 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.893e-18 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 8.884e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550831e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Cl 6.801e-04 Cl- 6.801e-04 6.540e-04 -3.167 -3.184 -0.017 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 2.004e-04 K+ 2.004e-04 1.927e-04 -3.698 -3.715 -0.017 KOH 6.666e-12 6.668e-12 -11.176 -11.176 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -63.220 -63.238 -0.017 NH3 0.000e+00 0.000e+00 -65.483 -65.483 0.000 N(0) 3.246e-20 N2 1.623e-20 1.624e-20 -19.790 -19.790 0.000 N(3) 1.077e-16 NO2- 1.077e-16 1.035e-16 -15.968 -15.985 -0.017 N(5) 5.199e-04 NO3- 5.199e-04 4.999e-04 -3.284 -3.301 -0.017 Na 9.996e-04 Na+ 9.996e-04 9.617e-04 -3.000 -3.017 -0.017 NaOH 6.340e-11 6.341e-11 -10.198 -10.198 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -7.78 -6.20 1.58 NaCl N2(g) -16.53 -19.79 -3.26 N2 NH3(g) -67.25 -65.48 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 41. Transport step 41. Mixrun 1. Transport step 41. Mixrun 2. Transport step 41. Mixrun 3. Transport step 41. Mixrun 4. Transport step 42. Transport step 42. Mixrun 1. Transport step 42. Mixrun 2. Transport step 42. Mixrun 3. Transport step 42. Mixrun 4. Transport step 43. Transport step 43. Mixrun 1. Transport step 43. Mixrun 2. Transport step 43. Mixrun 3. Transport step 43. Mixrun 4. Transport step 44. Transport step 44. Mixrun 1. Transport step 44. Mixrun 2. Transport step 44. Mixrun 3. Transport step 44. Mixrun 4. Transport step 45. Transport step 45. Mixrun 1. Transport step 45. Mixrun 2. Transport step 45. Mixrun 3. Transport step 45. Mixrun 4. Transport step 46. Transport step 46. Mixrun 1. Transport step 46. Mixrun 2. Transport step 46. Mixrun 3. Transport step 46. Mixrun 4. Transport step 47. Transport step 47. Mixrun 1. Transport step 47. Mixrun 2. Transport step 47. Mixrun 3. Transport step 47. Mixrun 4. Transport step 48. Transport step 48. Mixrun 1. Transport step 48. Mixrun 2. Transport step 48. Mixrun 3. Transport step 48. Mixrun 4. Transport step 49. Transport step 49. Mixrun 1. Transport step 49. Mixrun 2. Transport step 49. Mixrun 3. Transport step 49. Mixrun 4. Transport step 50. Transport step 50. Mixrun 1. Transport step 50. Mixrun 2. Transport step 50. Mixrun 3. Transport step 50. Mixrun 4. Transport step 51. Transport step 51. Mixrun 1. Transport step 51. Mixrun 2. Transport step 51. Mixrun 3. Transport step 51. Mixrun 4. Transport step 52. Transport step 52. Mixrun 1. Transport step 52. Mixrun 2. Transport step 52. Mixrun 3. Transport step 52. Mixrun 4. Transport step 53. Transport step 53. Mixrun 1. Transport step 53. Mixrun 2. Transport step 53. Mixrun 3. Transport step 53. Mixrun 4. Transport step 54. Transport step 54. Mixrun 1. Transport step 54. Mixrun 2. Transport step 54. Mixrun 3. Transport step 54. Mixrun 4. Transport step 55. Transport step 55. Mixrun 1. Transport step 55. Mixrun 2. Transport step 55. Mixrun 3. Transport step 55. Mixrun 4. Transport step 56. Transport step 56. Mixrun 1. Transport step 56. Mixrun 2. Transport step 56. Mixrun 3. Transport step 56. Mixrun 4. Transport step 57. Transport step 57. Mixrun 1. Transport step 57. Mixrun 2. Transport step 57. Mixrun 3. Transport step 57. Mixrun 4. Transport step 58. Transport step 58. Mixrun 1. Transport step 58. Mixrun 2. Transport step 58. Mixrun 3. Transport step 58. Mixrun 4. Transport step 59. Transport step 59. Mixrun 1. Transport step 59. Mixrun 2. Transport step 59. Mixrun 3. Transport step 59. Mixrun 4. Transport step 60. Transport step 60. Mixrun 1. Transport step 60. Mixrun 2. Transport step 60. Mixrun 3. Transport step 60. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 9.451e-04 9.451e-04 8.592e-01 -0.017 NaX 1.549e-04 1.549e-04 1.408e-01 -0.017 CaX2 2.150e-20 4.300e-20 3.909e-17 -0.067 NH4X 3.848e-65 3.848e-65 3.498e-62 -0.017 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 9.153e-23 9.153e-23 Cl 1.171e-03 1.171e-03 K 6.589e-04 6.589e-04 N 2.918e-05 2.918e-05 Na 5.411e-04 5.411e-04 ----------------------------Description of solution---------------------------- pH = 6.999 Charge balance pe = 13.628 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 163 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.842e-18 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 3.043e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550684e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 9.153e-23 Ca+2 9.153e-23 7.852e-23 -22.038 -22.105 -0.067 CaOH+ 1.352e-28 1.301e-28 -27.869 -27.886 -0.017 Cl 1.171e-03 Cl- 1.171e-03 1.126e-03 -2.932 -2.948 -0.017 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 6.589e-04 K+ 6.589e-04 6.337e-04 -3.181 -3.198 -0.017 KOH 2.192e-11 2.193e-11 -10.659 -10.659 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -64.471 -64.489 -0.017 NH3 0.000e+00 0.000e+00 -66.734 -66.734 0.000 N(0) 1.022e-22 N2 5.111e-23 5.113e-23 -22.291 -22.291 0.000 N(3) 6.043e-18 NO2- 6.043e-18 5.810e-18 -17.219 -17.236 -0.017 N(5) 2.918e-05 NO3- 2.918e-05 2.805e-05 -4.535 -4.552 -0.017 Na 5.411e-04 Na+ 5.411e-04 5.206e-04 -3.267 -3.284 -0.017 NaOH 3.432e-11 3.433e-11 -10.464 -10.464 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -7.81 -6.23 1.58 NaCl N2(g) -19.03 -22.29 -3.26 N2 NH3(g) -68.50 -66.73 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 61. Transport step 61. Mixrun 1. Transport step 61. Mixrun 2. Transport step 61. Mixrun 3. Transport step 61. Mixrun 4. Transport step 62. Transport step 62. Mixrun 1. Transport step 62. Mixrun 2. Transport step 62. Mixrun 3. Transport step 62. Mixrun 4. Transport step 63. Transport step 63. Mixrun 1. Transport step 63. Mixrun 2. Transport step 63. Mixrun 3. Transport step 63. Mixrun 4. Transport step 64. Transport step 64. Mixrun 1. Transport step 64. Mixrun 2. Transport step 64. Mixrun 3. Transport step 64. Mixrun 4. Transport step 65. Transport step 65. Mixrun 1. Transport step 65. Mixrun 2. Transport step 65. Mixrun 3. Transport step 65. Mixrun 4. Transport step 66. Transport step 66. Mixrun 1. Transport step 66. Mixrun 2. Transport step 66. Mixrun 3. Transport step 66. Mixrun 4. Transport step 67. Transport step 67. Mixrun 1. Transport step 67. Mixrun 2. Transport step 67. Mixrun 3. Transport step 67. Mixrun 4. Transport step 68. Transport step 68. Mixrun 1. Transport step 68. Mixrun 2. Transport step 68. Mixrun 3. Transport step 68. Mixrun 4. Transport step 69. Transport step 69. Mixrun 1. Transport step 69. Mixrun 2. Transport step 69. Mixrun 3. Transport step 69. Mixrun 4. Transport step 70. Transport step 70. Mixrun 1. Transport step 70. Mixrun 2. Transport step 70. Mixrun 3. Transport step 70. Mixrun 4. Transport step 71. Transport step 71. Mixrun 1. Transport step 71. Mixrun 2. Transport step 71. Mixrun 3. Transport step 71. Mixrun 4. Transport step 72. Transport step 72. Mixrun 1. Transport step 72. Mixrun 2. Transport step 72. Mixrun 3. Transport step 72. Mixrun 4. Transport step 73. Transport step 73. Mixrun 1. Transport step 73. Mixrun 2. Transport step 73. Mixrun 3. Transport step 73. Mixrun 4. Transport step 74. Transport step 74. Mixrun 1. Transport step 74. Mixrun 2. Transport step 74. Mixrun 3. Transport step 74. Mixrun 4. Transport step 75. Transport step 75. Mixrun 1. Transport step 75. Mixrun 2. Transport step 75. Mixrun 3. Transport step 75. Mixrun 4. Transport step 76. Transport step 76. Mixrun 1. Transport step 76. Mixrun 2. Transport step 76. Mixrun 3. Transport step 76. Mixrun 4. Transport step 77. Transport step 77. Mixrun 1. Transport step 77. Mixrun 2. Transport step 77. Mixrun 3. Transport step 77. Mixrun 4. Transport step 78. Transport step 78. Mixrun 1. Transport step 78. Mixrun 2. Transport step 78. Mixrun 3. Transport step 78. Mixrun 4. Transport step 79. Transport step 79. Mixrun 1. Transport step 79. Mixrun 2. Transport step 79. Mixrun 3. Transport step 79. Mixrun 4. Transport step 80. Transport step 80. Mixrun 1. Transport step 80. Mixrun 2. Transport step 80. Mixrun 3. Transport step 80. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.430e-04 1.086e-03 9.874e-01 -0.079 KX 1.370e-05 1.370e-05 1.245e-02 -0.020 NaX 2.152e-07 2.152e-07 1.956e-04 -0.020 NH4X 5.225e-68 5.225e-68 4.750e-65 -0.020 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 5.226e-04 5.226e-04 Cl 1.199e-03 1.199e-03 K 1.436e-04 1.436e-04 N 5.912e-07 5.912e-07 Na 1.130e-05 1.130e-05 ----------------------------Description of solution---------------------------- pH = 6.998 Charge balance pe = 13.629 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 157 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.723e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 6.859e-18 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 9.758e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.050e-07 1.006e-07 -6.979 -6.998 -0.019 OH- 1.043e-07 9.954e-08 -6.982 -7.002 -0.020 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 5.226e-04 Ca+2 5.226e-04 4.358e-04 -3.282 -3.361 -0.079 CaOH+ 7.530e-10 7.191e-10 -9.123 -9.143 -0.020 Cl 1.199e-03 Cl- 1.199e-03 1.145e-03 -2.921 -2.941 -0.020 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 1.436e-04 K+ 1.436e-04 1.370e-04 -3.843 -3.863 -0.020 KOH 4.723e-12 4.725e-12 -11.326 -11.326 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -66.161 -66.182 -0.020 NH3 0.000e+00 0.000e+00 -68.429 -68.429 0.000 N(0) 4.165e-26 N2 2.083e-26 2.083e-26 -25.681 -25.681 0.000 N(3) 1.224e-19 NO2- 1.224e-19 1.168e-19 -18.912 -18.932 -0.020 N(5) 5.912e-07 NO3- 5.912e-07 5.642e-07 -6.228 -6.249 -0.020 Na 1.130e-05 Na+ 1.130e-05 1.080e-05 -4.947 -4.967 -0.020 NaOH 7.089e-13 7.092e-13 -12.149 -12.149 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -9.49 -7.91 1.58 NaCl N2(g) -22.42 -25.68 -3.26 N2 NH3(g) -70.20 -68.43 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 81. Transport step 81. Mixrun 1. Transport step 81. Mixrun 2. Transport step 81. Mixrun 3. Transport step 81. Mixrun 4. Transport step 82. Transport step 82. Mixrun 1. Transport step 82. Mixrun 2. Transport step 82. Mixrun 3. Transport step 82. Mixrun 4. Transport step 83. Transport step 83. Mixrun 1. Transport step 83. Mixrun 2. Transport step 83. Mixrun 3. Transport step 83. Mixrun 4. Transport step 84. Transport step 84. Mixrun 1. Transport step 84. Mixrun 2. Transport step 84. Mixrun 3. Transport step 84. Mixrun 4. Transport step 85. Transport step 85. Mixrun 1. Transport step 85. Mixrun 2. Transport step 85. Mixrun 3. Transport step 85. Mixrun 4. Transport step 86. Transport step 86. Mixrun 1. Transport step 86. Mixrun 2. Transport step 86. Mixrun 3. Transport step 86. Mixrun 4. Transport step 87. Transport step 87. Mixrun 1. Transport step 87. Mixrun 2. Transport step 87. Mixrun 3. Transport step 87. Mixrun 4. Transport step 88. Transport step 88. Mixrun 1. Transport step 88. Mixrun 2. Transport step 88. Mixrun 3. Transport step 88. Mixrun 4. Transport step 89. Transport step 89. Mixrun 1. Transport step 89. Mixrun 2. Transport step 89. Mixrun 3. Transport step 89. Mixrun 4. Transport step 90. Transport step 90. Mixrun 1. Transport step 90. Mixrun 2. Transport step 90. Mixrun 3. Transport step 90. Mixrun 4. Transport step 91. Transport step 91. Mixrun 1. Transport step 91. Mixrun 2. Transport step 91. Mixrun 3. Transport step 91. Mixrun 4. Transport step 92. Transport step 92. Mixrun 1. Transport step 92. Mixrun 2. Transport step 92. Mixrun 3. Transport step 92. Mixrun 4. Transport step 93. Transport step 93. Mixrun 1. Transport step 93. Mixrun 2. Transport step 93. Mixrun 3. Transport step 93. Mixrun 4. Transport step 94. Transport step 94. Mixrun 1. Transport step 94. Mixrun 2. Transport step 94. Mixrun 3. Transport step 94. Mixrun 4. Transport step 95. Transport step 95. Mixrun 1. Transport step 95. Mixrun 2. Transport step 95. Mixrun 3. Transport step 95. Mixrun 4. Transport step 96. Transport step 96. Mixrun 1. Transport step 96. Mixrun 2. Transport step 96. Mixrun 3. Transport step 96. Mixrun 4. Transport step 97. Transport step 97. Mixrun 1. Transport step 97. Mixrun 2. Transport step 97. Mixrun 3. Transport step 97. Mixrun 4. Transport step 98. Transport step 98. Mixrun 1. Transport step 98. Mixrun 2. Transport step 98. Mixrun 3. Transport step 98. Mixrun 4. Transport step 99. Transport step 99. Mixrun 1. Transport step 99. Mixrun 2. Transport step 99. Mixrun 3. Transport step 99. Mixrun 4. Transport step 100. Transport step 100. Mixrun 1. Transport step 100. Mixrun 2. Transport step 100. Mixrun 3. Transport step 100. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.499e-04 1.100e-03 9.999e-01 -0.080 KX 1.363e-07 1.363e-07 1.239e-04 -0.021 NaX 1.851e-09 1.851e-09 1.683e-06 -0.020 NH4X 6.359e-70 6.359e-70 5.781e-67 -0.021 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 5.992e-04 5.992e-04 Cl 1.200e-03 1.200e-03 K 1.520e-06 1.520e-06 N 7.648e-09 7.648e-09 Na 1.035e-07 1.035e-07 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.799e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.568e-18 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 7.773e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 5.992e-04 Ca+2 5.992e-04 4.978e-04 -3.222 -3.303 -0.080 CaOH+ 8.606e-10 8.210e-10 -9.065 -9.086 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 1.520e-06 K+ 1.520e-06 1.450e-06 -5.818 -5.839 -0.021 KOH 4.994e-14 4.996e-14 -13.302 -13.301 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -68.049 -68.070 -0.021 NH3 0.000e+00 0.000e+00 -70.317 -70.317 0.000 N(0) 6.963e-30 N2 3.481e-30 3.483e-30 -29.458 -29.458 0.000 N(3) 1.584e-21 NO2- 1.584e-21 1.510e-21 -20.800 -20.821 -0.021 N(5) 7.648e-09 NO3- 7.648e-09 7.291e-09 -8.116 -8.137 -0.021 Na 1.035e-07 Na+ 1.035e-07 9.874e-08 -6.985 -7.006 -0.020 NaOH 6.480e-15 6.483e-15 -14.188 -14.188 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -11.53 -9.95 1.58 NaCl N2(g) -26.20 -29.46 -3.26 N2 NH3(g) -72.09 -70.32 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 Transport step 101. Transport step 101. Mixrun 1. Transport step 101. Mixrun 2. Transport step 101. Mixrun 3. Transport step 101. Mixrun 4. Transport step 102. Transport step 102. Mixrun 1. Transport step 102. Mixrun 2. Transport step 102. Mixrun 3. Transport step 102. Mixrun 4. Transport step 103. Transport step 103. Mixrun 1. Transport step 103. Mixrun 2. Transport step 103. Mixrun 3. Transport step 103. Mixrun 4. Transport step 104. Transport step 104. Mixrun 1. Transport step 104. Mixrun 2. Transport step 104. Mixrun 3. Transport step 104. Mixrun 4. Transport step 105. Transport step 105. Mixrun 1. Transport step 105. Mixrun 2. Transport step 105. Mixrun 3. Transport step 105. Mixrun 4. Transport step 106. Transport step 106. Mixrun 1. Transport step 106. Mixrun 2. Transport step 106. Mixrun 3. Transport step 106. Mixrun 4. Transport step 107. Transport step 107. Mixrun 1. Transport step 107. Mixrun 2. Transport step 107. Mixrun 3. Transport step 107. Mixrun 4. Transport step 108. Transport step 108. Mixrun 1. Transport step 108. Mixrun 2. Transport step 108. Mixrun 3. Transport step 108. Mixrun 4. Transport step 109. Transport step 109. Mixrun 1. Transport step 109. Mixrun 2. Transport step 109. Mixrun 3. Transport step 109. Mixrun 4. Transport step 110. Transport step 110. Mixrun 1. Transport step 110. Mixrun 2. Transport step 110. Mixrun 3. Transport step 110. Mixrun 4. Transport step 111. Transport step 111. Mixrun 1. Transport step 111. Mixrun 2. Transport step 111. Mixrun 3. Transport step 111. Mixrun 4. Transport step 112. Transport step 112. Mixrun 1. Transport step 112. Mixrun 2. Transport step 112. Mixrun 3. Transport step 112. Mixrun 4. Transport step 113. Transport step 113. Mixrun 1. Transport step 113. Mixrun 2. Transport step 113. Mixrun 3. Transport step 113. Mixrun 4. Transport step 114. Transport step 114. Mixrun 1. Transport step 114. Mixrun 2. Transport step 114. Mixrun 3. Transport step 114. Mixrun 4. Transport step 115. Transport step 115. Mixrun 1. Transport step 115. Mixrun 2. Transport step 115. Mixrun 3. Transport step 115. Mixrun 4. Transport step 116. Transport step 116. Mixrun 1. Transport step 116. Mixrun 2. Transport step 116. Mixrun 3. Transport step 116. Mixrun 4. Transport step 117. Transport step 117. Mixrun 1. Transport step 117. Mixrun 2. Transport step 117. Mixrun 3. Transport step 117. Mixrun 4. Transport step 118. Transport step 118. Mixrun 1. Transport step 118. Mixrun 2. Transport step 118. Mixrun 3. Transport step 118. Mixrun 4. Transport step 119. Transport step 119. Mixrun 1. Transport step 119. Mixrun 2. Transport step 119. Mixrun 3. Transport step 119. Mixrun 4. Transport step 120. Transport step 120. Mixrun 1. Transport step 120. Mixrun 2. Transport step 120. Mixrun 3. Transport step 120. Mixrun 4. Using mix 40. Using exchange 40. Exchange assemblage after simulation 2. Mixture 40. 2.625e-01 Solution 39 Solution after simulation 2. 0.000e+00 Solution 41 Solution after simulation 2. 7.375e-01 Solution 40 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma CaX2 5.500e-04 1.100e-03 1.000e+00 -0.081 KX 1.753e-09 1.753e-09 1.593e-06 -0.021 NaX 1.743e-11 1.743e-11 1.585e-08 -0.020 NH4X 6.565e-72 6.565e-72 5.969e-69 -0.021 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 K 1.956e-08 1.956e-08 N 7.901e-11 7.901e-11 Na 9.751e-10 9.751e-10 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99711 Activity of water = 1.000 Ionic strength = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.235e-19 Total carbon (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00 Temperature (deg C) = 25.000 Electrical balance (eq) = 1.162e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log Species Molality Activity Molality Activity Gamma H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 Ca 6.000e-04 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020 Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 K 1.956e-08 K+ 1.956e-08 1.865e-08 -7.709 -7.729 -0.021 KOH 6.425e-16 6.428e-16 -15.192 -15.192 0.000 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -70.035 -70.056 -0.021 NH3 0.000e+00 0.000e+00 -72.303 -72.303 0.000 N(0) 7.431e-34 N2 3.716e-34 3.717e-34 -33.430 -33.430 0.000 N(3) 1.636e-23 NO2- 1.636e-23 1.560e-23 -22.786 -22.807 -0.021 N(5) 7.901e-11 NO3- 7.901e-11 7.532e-11 -10.102 -10.123 -0.021 Na 9.751e-10 Na+ 9.751e-10 9.305e-10 -9.011 -9.031 -0.020 NaOH 6.107e-17 6.109e-17 -16.214 -16.214 0.000 O(0) 5.352e-04 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000 ------------------------------Saturation indices------------------------------- Phase SI log IAP log KT H2(g) -41.25 -44.40 -3.15 H2 H2O(g) -1.51 -0.00 1.51 H2O Halite -13.55 -11.97 1.58 NaCl N2(g) -30.17 -33.43 -3.26 N2 NH3(g) -74.07 -72.30 1.77 NH3 O2(g) -0.68 -3.57 -2.89 O2 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ ----------- End of run. -----------