Input file: ex12b Output file: ex12b.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES MEAN_GAMMAS RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ DATABASE ../database/phreeqc.dat TITLE Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes. Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases. SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet temp 24 Na 24 Cl 24 SOLUTION 1-31 24 mM KBr, initial temp 0C temp 0 K 24 Br 24 EXCHANGE_SPECIES K+ + X- = KX EXCHANGE 1-31 KX 0.048 END ----- TITLE ----- Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes. Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases. ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Initial solution 1. 24 mM KBr, initial temp 0C -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 pe = 4.000 Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 (8 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 1.848e-25 H2 9.239e-26 9.290e-26 -25.034 -25.032 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -51.126 -51.123 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -22.02 -25.03 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -48.46 -51.12 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ----------------------------------------- Beginning of batch-reaction calculations. ----------------------------------------- Reaction step 1. Using solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet Using exchange 1. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 3.146e-02 3.146e-02 6.554e-01 0.000 NaX 1.654e-02 1.654e-02 3.446e-01 -0.063 -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 K 1.654e-02 1.654e-02 Na 7.460e-03 7.460e-03 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = -1.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 3061 Density (g/cm³) = 0.99839 Volume (L) = 1.00329 Viscosity (mPa s) = 0.91170 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 12 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-15 H2 7.109e-16 7.148e-16 -15.148 -15.146 0.002 28.61 K 1.654e-02 K+ 1.654e-02 1.419e-02 -1.781 -1.848 -0.067 9.08 Na 7.460e-03 Na+ 7.460e-03 6.447e-03 -2.127 -2.191 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -62.415 -62.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -12.05 -15.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -5.45 -3.88 1.57 NaCl O2(g) -59.53 -62.41 -2.89 O2 Sylvite -4.43 -3.53 0.89 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 2. ------------------------------------ TRANSPORT cells 10 lengths 0.3333333 shifts 1 flow_direction diffusion boundary_conditions constant closed thermal_diffusion 3.0 # heat is retarded equal to Na diffusion_coefficient 0.3e-9 # m^2/s time_step 1.0e+9 1 # max_mixf = 2/9 = Dt_max * De / Dx^2. Dt_max = 8.2140e+07 seconds, Number of mixes = 1e10 / 8.214e7 = 122 USER_GRAPH 1 Example 12b WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10. WARNING: No dispersivities were read; disp = 0 assumed. -headings Tradit:Na Cl TC Analyt -chart_title "Compare traditional and multicomponent diffusive transport" -axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS" -initial_solutions false -plot_concentration_vs x -axis_scale sy_axis 0 -start 10 x = DIST 20 PLOT_XY x, TOT("Na")*1000, symbol = Plus 30 PLOT_XY x, TOT("Cl")*1000, symbol = Plus 40 PLOT_XY x, TC, symbol = XCross, y-axis 2 : print tc, diff_c("Cl-") 50 if (x > 10 OR SIM_TIME <= 0) THEN END 60 DATA 0.254829592, -0.284496736, 1.421413741, -1.453152027, 1.061405429, 0.3275911 70 READ a1, a2, a3, a4, a5, a6 80 z = x / (2 * SQRT(3e-10 * SIM_TIME / 1.0)) 90 GOSUB 2000 100 PLOT_XY x, 24 * erfc, color = Green, symbol = Square, symbol_size = 8, line_width = 0 110 z = z * SQRT(3.0) 120 GOSUB 2000 130 PLOT_XY x, 24 * erfc, color = Blue, symbol = Square, symbol_size = 8, line_width = 0 140 END 2000 REM calculate erfc... 2050 b = 1 / (1 + a6 * z) 2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z)) 2080 RETURN -end END ------------------------------------ Beginning of transport calculations. ------------------------------------ ------------------------------- Equilibrating initial solutions ------------------------------- Using solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 1. 24 mM KBr, initial temp 0C Using exchange 1. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 2. 24 mM KBr, initial temp 0C Using exchange 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (26 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 3. 24 mM KBr, initial temp 0C Using exchange 3. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (39 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 4. 24 mM KBr, initial temp 0C Using exchange 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (52 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 5. 24 mM KBr, initial temp 0C Using exchange 5. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (65 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 6. 24 mM KBr, initial temp 0C Using exchange 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (78 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 7. 24 mM KBr, initial temp 0C Using exchange 7. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (91 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 8. 24 mM KBr, initial temp 0C Using exchange 8. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (104 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 9. 24 mM KBr, initial temp 0C Using exchange 9. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (117 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 10. 24 mM KBr, initial temp 0C Using exchange 10. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (130 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. WARNING: Calculating transport: 10 (mobile) cells, 1 shifts, 13 mixruns... Transport step 1. Mixrun 1. Transport step 1. Mixrun 2. Transport step 1. Mixrun 3. Transport step 1. Mixrun 4. Transport step 1. Mixrun 5. Transport step 1. Mixrun 6. Transport step 1. Mixrun 7. Transport step 1. Mixrun 8. Transport step 1. Mixrun 9. Transport step 1. Mixrun 10. Transport step 1. Mixrun 11. Transport step 1. Mixrun 12. Transport step 1. Mixrun 13. Using solution 0. Solution after simulation 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 1. Using exchange 1. Exchange assemblage after simulation 2. Mixture 1. 4.154e-01 Solution 0 Solution after simulation 2. 3.769e-01 Solution 1 Solution after simulation 2. 2.077e-01 Solution 2 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 3.418e-02 3.418e-02 7.121e-01 -0.063 KX 1.382e-02 1.382e-02 2.879e-01 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.098e-03 4.098e-03 Cl 1.990e-02 1.990e-02 K 7.678e-03 7.678e-03 Na 1.632e-02 1.632e-02 ----------------------------Description of solution---------------------------- pH = 7.086 Charge balance pe = 12.300 Adjusted to redox equilibrium Specific Conductance (µS/cm, 16°C) = 2435 Density (g/cm³) = 1.00009 Volume (L) = 1.00162 Viscosity (mPa s) = 1.09808 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -2.086e-08 Temperature (°C) = 16.41 Pressure (atm) = 1.00 Electrical balance (eq) = 2.086e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.278e-08 8.203e-08 -7.033 -7.086 -0.053 0.00 OH- 7.242e-08 6.218e-08 -7.140 -7.206 -0.066 -4.40 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04 Br 4.098e-03 Br- 4.098e-03 3.507e-03 -2.387 -2.455 -0.068 24.19 Cl 1.990e-02 Cl- 1.990e-02 1.712e-02 -1.701 -1.766 -0.065 17.86 HCl 4.984e-10 5.103e-10 -9.302 -9.292 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.887 -41.885 0.002 28.62 K 7.678e-03 K+ 7.678e-03 6.599e-03 -2.115 -2.181 -0.066 8.79 Na 1.632e-02 Na+ 1.632e-02 1.413e-02 -1.787 -1.850 -0.063 -1.81 O(0) 6.791e-12 O2 3.395e-12 3.414e-12 -11.469 -11.467 0.002 29.65 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(289 K, 1 atm) H2(g) -38.81 -41.88 -3.08 H2 H2O(g) -1.73 -0.00 1.73 H2O Halite -5.18 -3.62 1.56 NaCl O2(g) -8.64 -11.47 -2.82 O2 Sylvite -4.80 -3.95 0.86 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 2. Using exchange 2. Exchange assemblage after simulation 2. Mixture 2. 2.077e-01 Solution 1 Solution after simulation 2. 5.846e-01 Solution 2 Solution after simulation 2. 2.077e-01 Solution 3 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 3.576e-02 3.576e-02 7.450e-01 0.000 NaX 1.224e-02 1.224e-02 2.550e-01 -0.062 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.158e-02 1.158e-02 Cl 1.242e-02 1.242e-02 K 1.854e-02 1.854e-02 Na 5.464e-03 5.464e-03 ----------------------------Description of solution---------------------------- pH = 7.138 Charge balance pe = 13.226 Adjusted to redox equilibrium Specific Conductance (µS/cm, 6°C) = 2040 Density (g/cm³) = 1.00154 Volume (L) = 1.00067 Viscosity (mPa s) = 1.47979 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -5.042e-08 Temperature (°C) = 5.80 Pressure (atm) = 1.00 Electrical balance (eq) = 5.042e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.216e-08 7.276e-08 -7.085 -7.138 -0.053 0.00 OH- 3.204e-08 2.757e-08 -7.494 -7.560 -0.065 -5.30 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.158e-02 Br- 1.158e-02 9.936e-03 -1.936 -2.003 -0.067 23.24 Cl 1.242e-02 Cl- 1.242e-02 1.071e-02 -1.906 -1.970 -0.064 17.14 HCl 2.953e-10 3.023e-10 -9.530 -9.520 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.792 -43.790 0.002 28.63 K 1.854e-02 K+ 1.854e-02 1.597e-02 -1.732 -1.797 -0.065 8.25 Na 5.464e-03 Na+ 5.464e-03 4.742e-03 -2.262 -2.324 -0.062 -2.69 O(0) 7.479e-12 O2 3.739e-12 3.760e-12 -11.427 -11.425 0.002 28.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(278 K, 1 atm) H2(g) -40.75 -43.79 -3.04 H2 H2O(g) -2.03 -0.00 2.03 H2O Halite -5.85 -4.29 1.55 NaCl O2(g) -8.70 -11.42 -2.72 O2 Sylvite -4.56 -3.77 0.80 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 3. Using exchange 3. Exchange assemblage after simulation 2. Mixture 3. 2.077e-01 Solution 2 Solution after simulation 2. 5.846e-01 Solution 3 Solution after simulation 2. 2.077e-01 Solution 4 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.514e-02 4.514e-02 9.405e-01 0.000 NaX 2.855e-03 2.855e-03 5.948e-02 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.728e-02 1.728e-02 Cl 6.719e-03 6.719e-03 K 2.276e-02 2.276e-02 Na 1.241e-03 1.241e-03 ----------------------------Description of solution---------------------------- pH = 7.090 Charge balance pe = 13.856 Adjusted to redox equilibrium Specific Conductance (µS/cm, 1°C) = 1862 Density (g/cm³) = 1.00177 Volume (L) = 1.00076 Viscosity (mPa s) = 1.70216 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.292e-08 Temperature (°C) = 1.44 Pressure (atm) = 1.00 Electrical balance (eq) = 7.292e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.168e-08 8.125e-08 -7.038 -7.090 -0.052 0.00 OH- 1.895e-08 1.632e-08 -7.722 -7.787 -0.065 -5.84 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.728e-02 Br- 1.728e-02 1.484e-02 -1.762 -1.829 -0.066 22.70 Cl 6.719e-03 Cl- 6.719e-03 5.798e-03 -2.173 -2.237 -0.064 16.70 HCl 1.835e-10 1.879e-10 -9.736 -9.726 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.935 -44.932 0.002 28.64 K 2.276e-02 K+ 2.276e-02 1.962e-02 -1.643 -1.707 -0.064 7.95 Na 1.241e-03 Na+ 1.241e-03 1.078e-03 -2.906 -2.967 -0.061 -3.16 O(0) 3.370e-11 O2 1.685e-11 1.694e-11 -10.773 -10.771 0.002 27.74 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(274 K, 1 atm) H2(g) -41.91 -44.93 -3.02 H2 H2O(g) -2.17 -0.00 2.17 H2O Halite -6.75 -5.20 1.55 NaCl O2(g) -8.10 -10.77 -2.68 O2 Sylvite -4.72 -3.94 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 4. Using exchange 4. Exchange assemblage after simulation 2. Mixture 4. 2.077e-01 Solution 3 Solution after simulation 2. 5.846e-01 Solution 4 Solution after simulation 2. 2.077e-01 Solution 5 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.753e-02 4.753e-02 9.902e-01 0.000 NaX 4.680e-04 4.680e-04 9.751e-03 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.089e-02 2.089e-02 Cl 3.110e-03 3.110e-03 K 2.380e-02 2.380e-02 Na 2.021e-04 2.021e-04 ----------------------------Description of solution---------------------------- pH = 7.043 Charge balance pe = 14.257 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1813 Density (g/cm³) = 1.00186 Volume (L) = 1.00085 Viscosity (mPa s) = 1.77161 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.717e-08 Temperature (°C) = 0.26 Pressure (atm) = 1.00 Electrical balance (eq) = 8.717e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 7 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.022e-07 9.060e-08 -6.991 -7.043 -0.052 0.00 OH- 1.513e-08 1.304e-08 -7.820 -7.885 -0.065 -6.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.089e-02 Br- 2.089e-02 1.794e-02 -1.680 -1.746 -0.066 22.53 Cl 3.110e-03 Cl- 3.110e-03 2.684e-03 -2.507 -2.571 -0.064 16.57 HCl 9.542e-11 9.769e-11 -10.020 -10.010 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.635 -45.633 0.002 28.64 K 2.380e-02 K+ 2.380e-02 2.052e-02 -1.623 -1.688 -0.064 7.86 Na 2.021e-04 Na+ 2.021e-04 1.755e-04 -3.694 -3.756 -0.061 -3.30 O(0) 3.001e-10 O2 1.501e-10 1.509e-10 -9.824 -9.821 0.002 27.53 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.62 -45.63 -3.01 H2 H2O(g) -2.20 -0.00 2.20 H2O Halite -7.88 -6.33 1.55 NaCl O2(g) -7.16 -9.82 -2.66 O2 Sylvite -5.02 -4.26 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 5. Using exchange 5. Exchange assemblage after simulation 2. Mixture 5. 2.077e-01 Solution 4 Solution after simulation 2. 5.846e-01 Solution 5 Solution after simulation 2. 2.077e-01 Solution 6 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.794e-02 4.794e-02 9.988e-01 0.000 NaX 5.659e-05 5.659e-05 1.179e-03 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.278e-02 2.278e-02 Cl 1.216e-03 1.216e-03 K 2.398e-02 2.398e-02 Na 2.441e-05 2.441e-05 ----------------------------Description of solution---------------------------- pH = 7.017 Charge balance pe = 14.153 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00192 Volume (L) = 1.00088 Viscosity (mPa s) = 1.78531 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.465e-08 Temperature (°C) = 0.04 Pressure (atm) = 1.00 Electrical balance (eq) = 9.465e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.085e-07 9.622e-08 -6.964 -7.017 -0.052 0.00 OH- 1.393e-08 1.201e-08 -7.856 -7.921 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.278e-02 Br- 2.278e-02 1.957e-02 -1.642 -1.708 -0.066 22.49 Cl 1.216e-03 Cl- 1.216e-03 1.049e-03 -2.915 -2.979 -0.064 16.54 HCl 3.967e-11 4.061e-11 -10.402 -10.391 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.374 -45.371 0.002 28.65 K 2.398e-02 K+ 2.398e-02 2.068e-02 -1.620 -1.685 -0.064 7.84 Na 2.441e-05 Na+ 2.441e-05 2.120e-05 -4.613 -4.674 -0.061 -3.33 O(0) 7.373e-11 O2 3.687e-11 3.707e-11 -10.433 -10.431 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.36 -45.37 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -9.20 -7.65 1.55 NaCl O2(g) -7.77 -10.43 -2.66 O2 Sylvite -5.43 -4.66 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 6. Using exchange 6. Exchange assemblage after simulation 2. Mixture 6. 2.077e-01 Solution 5 Solution after simulation 2. 5.846e-01 Solution 6 Solution after simulation 2. 2.077e-01 Solution 7 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.799e-02 4.799e-02 9.999e-01 0.000 NaX 5.158e-06 5.158e-06 1.074e-04 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.360e-02 2.360e-02 Cl 3.957e-04 3.957e-04 K 2.400e-02 2.400e-02 Na 2.224e-06 2.224e-06 ----------------------------Description of solution---------------------------- pH = 7.005 Charge balance pe = 13.211 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1804 Density (g/cm³) = 1.00195 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78721 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.789e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.787e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 14 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.114e-07 9.876e-08 -6.953 -7.005 -0.052 0.00 OH- 1.353e-08 1.166e-08 -7.869 -7.933 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.360e-02 Br- 2.360e-02 2.027e-02 -1.627 -1.693 -0.066 22.49 Cl 3.957e-04 Cl- 3.957e-04 3.416e-04 -3.403 -3.466 -0.064 16.53 HCl 1.326e-11 1.357e-11 -10.878 -10.867 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.467 -43.464 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 Na 2.224e-06 Na+ 2.224e-06 1.932e-06 -5.653 -5.714 -0.061 -3.34 O(0) 1.099e-14 O2 5.495e-15 5.525e-15 -14.260 -14.258 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -40.45 -43.46 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -10.73 -9.18 1.55 NaCl O2(g) -11.60 -14.26 -2.66 O2 Sylvite -5.91 -5.15 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 7. Using exchange 7. Exchange assemblage after simulation 2. Mixture 7. 2.077e-01 Solution 6 Solution after simulation 2. 5.846e-01 Solution 7 Solution after simulation 2. 2.077e-01 Solution 8 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 0.000 NaX 3.567e-07 3.567e-07 7.432e-06 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.389e-02 2.389e-02 Cl 1.056e-04 1.056e-04 K 2.400e-02 2.400e-02 Na 1.538e-07 1.538e-07 ----------------------------Description of solution---------------------------- pH = 7.001 Charge balance pe = 13.764 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1804 Density (g/cm³) = 1.00196 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78739 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.903e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.900e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 8 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.124e-07 9.967e-08 -6.949 -7.001 -0.052 0.00 OH- 1.341e-08 1.155e-08 -7.873 -7.937 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.389e-02 Br- 2.389e-02 2.052e-02 -1.622 -1.688 -0.066 22.49 Cl 1.056e-04 Cl- 1.056e-04 9.118e-05 -3.976 -4.040 -0.064 16.53 HCl 3.571e-12 3.656e-12 -11.447 -11.437 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.566 -44.563 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 Na 1.538e-07 Na+ 1.538e-07 1.336e-07 -6.813 -6.874 -0.061 -3.34 O(0) 1.729e-12 O2 8.646e-13 8.694e-13 -12.063 -12.061 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -41.55 -44.56 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -12.46 -10.91 1.55 NaCl O2(g) -9.40 -12.06 -2.66 O2 Sylvite -6.49 -5.72 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 8. Using exchange 8. Exchange assemblage after simulation 2. Mixture 8. 2.077e-01 Solution 7 Solution after simulation 2. 5.846e-01 Solution 8 Solution after simulation 2. 2.077e-01 Solution 9 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 0.000 NaX 1.866e-08 1.866e-08 3.887e-07 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.398e-02 2.398e-02 Cl 2.266e-05 2.266e-05 K 2.400e-02 2.400e-02 Na 8.045e-09 8.045e-09 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 13.704 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.936e-08 Temperature (°C) = 0.00 Pressure (atm) = 1.00 Electrical balance (eq) = 9.932e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.127e-07 9.993e-08 -6.948 -7.000 -0.052 0.00 OH- 1.337e-08 1.152e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.398e-02 Br- 2.398e-02 2.059e-02 -1.620 -1.686 -0.066 22.49 Cl 2.266e-05 Cl- 2.266e-05 1.956e-05 -4.645 -4.709 -0.064 16.53 HCl 7.682e-13 7.865e-13 -12.115 -12.104 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.444 -44.441 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 Na 8.045e-09 Na+ 8.045e-09 6.989e-09 -8.094 -8.156 -0.061 -3.34 O(0) 9.863e-13 O2 4.932e-13 4.959e-13 -12.307 -12.305 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -41.43 -44.44 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -14.41 -12.86 1.55 NaCl O2(g) -9.65 -12.30 -2.66 O2 Sylvite -7.16 -6.39 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 9. Using exchange 9. Exchange assemblage after simulation 2. Mixture 9. 2.077e-01 Solution 8 Solution after simulation 2. 5.846e-01 Solution 9 Solution after simulation 2. 2.077e-01 Solution 10 Solution after simulation 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 0.000 NaX 7.270e-10 7.270e-10 1.515e-08 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 Cl 3.808e-06 3.808e-06 K 2.400e-02 2.400e-02 Na 3.135e-10 3.135e-10 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 13.610 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.943e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.940e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 6 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 9.999e-08 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 Cl 3.808e-06 Cl- 3.808e-06 3.287e-06 -5.419 -5.483 -0.064 16.53 HCl 1.291e-13 1.322e-13 -12.889 -12.879 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.255 -44.252 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 Na 3.135e-10 Na+ 3.135e-10 2.723e-10 -9.504 -9.565 -0.061 -3.34 O(0) 4.131e-13 O2 2.065e-13 2.077e-13 -12.685 -12.683 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -41.24 -44.25 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -16.60 -15.05 1.55 NaCl O2(g) -10.02 -12.68 -2.66 O2 Sylvite -7.93 -7.17 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 10. Using exchange 10. Exchange assemblage after simulation 2. Mixture 10. 2.077e-01 Solution 9 Solution after simulation 2. 7.923e-01 Solution 10 Solution after simulation 2. 0.000e+00 Solution 11 24 mM KBr, initial temp 0C -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 0.000 NaX 2.088e-11 2.088e-11 4.350e-10 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 Cl 5.237e-07 5.237e-07 K 2.400e-02 2.400e-02 Na 9.004e-12 9.004e-12 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 13.522 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.943e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 5 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 Cl 5.237e-07 Cl- 5.237e-07 4.521e-07 -6.281 -6.345 -0.064 16.53 HCl 1.777e-14 1.819e-14 -13.750 -13.740 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.078 -44.076 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 Na 9.004e-12 Na+ 9.004e-12 7.822e-12 -11.046 -11.107 -0.061 -3.34 O(0) 1.831e-13 O2 9.154e-14 9.204e-14 -13.038 -13.036 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -41.06 -44.08 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -19.00 -17.45 1.55 NaCl O2(g) -10.38 -13.04 -2.66 O2 Sylvite -8.79 -8.03 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ copy cell 31 1-30 END ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 4. ------------------------------------ TRANSPORT shifts 1 multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na USER_GRAPH 1 Example 12b WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. ------------------------------------ Column data retained from former run ------------------------------------ -headings MultiD&Visc:Na Cl TC -start 10 x = DIST 20 PLOT_XY x, TOT("Na")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Red 30 PLOT_XY x, TOT("Cl")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Green 40 PLOT_XY x, TC, symbol = Circle, line_width = 0, symbol_size = 5, y-axis 2, color = Blue END ------------------------------------ Beginning of transport calculations. ------------------------------------ ------------------------------- Equilibrating initial solutions ------------------------------- Using solution 0. Solution after simulation 2. -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 1. 24 mM KBr, initial temp 0C Using exchange 1. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 2. 24 mM KBr, initial temp 0C Using exchange 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (26 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 3. 24 mM KBr, initial temp 0C Using exchange 3. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (39 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 4. 24 mM KBr, initial temp 0C Using exchange 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (52 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 5. 24 mM KBr, initial temp 0C Using exchange 5. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (65 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 6. 24 mM KBr, initial temp 0C Using exchange 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (78 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 7. 24 mM KBr, initial temp 0C Using exchange 7. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (91 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 8. 24 mM KBr, initial temp 0C Using exchange 8. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (104 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 9. 24 mM KBr, initial temp 0C Using exchange 9. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (117 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 10. 24 mM KBr, initial temp 0C Using exchange 10. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (130 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. WARNING: Calculating transport: 10 (mobile) cells, 1 shifts, 373 mixruns... Transport step 1. Multicomponent diffusion run 373. Using solution 0. Solution after simulation 4. -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 1. Using exchange 1. Exchange assemblage after simulation 4. Mixture 1. 0.000e+00 Solution 0 Solution after simulation 4. 1.000e+00 Solution 1 Solution after simulation 4. 0.000e+00 Solution 2 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 4.315e-02 4.315e-02 8.990e-01 -0.063 KX 4.847e-03 4.847e-03 1.010e-01 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.468e-03 1.468e-03 Cl 2.205e-02 2.205e-02 K 2.719e-03 2.719e-03 Na 2.080e-02 2.080e-02 ----------------------------Description of solution---------------------------- pH = 7.015 Charge balance pe = 12.225 Adjusted to redox equilibrium Specific Conductance (µS/cm, 22°C) = 2564 Density (g/cm³) = 0.99893 Volume (L) = 1.00256 Viscosity (mPa s) = 0.96748 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.352e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.672e-08 Temperature (°C) = 21.53 Electrical balance (eq) = 1.018e-07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.092e-07 9.656e-08 -6.962 -7.015 -0.054 0.00 OH- 9.314e-08 7.998e-08 -7.031 -7.097 -0.066 -4.12 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05 Br 1.468e-03 Br- 1.468e-03 1.257e-03 -2.833 -2.901 -0.068 24.50 Cl 2.205e-02 Cl- 2.205e-02 1.897e-02 -1.657 -1.722 -0.065 18.07 HCl 6.302e-10 6.449e-10 -9.201 -9.191 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.617 -41.615 0.002 28.61 K 2.719e-03 K+ 2.719e-03 2.337e-03 -2.566 -2.631 -0.066 8.99 Na 2.080e-02 Na+ 2.080e-02 1.801e-02 -1.682 -1.744 -0.063 -1.50 O(0) 1.031e-10 O2 5.156e-11 5.184e-11 -10.288 -10.285 0.002 30.12 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(294 K, 1 atm) H2(g) -38.52 -41.61 -3.09 H2 H2O(g) -1.59 -0.00 1.59 H2O Halite -5.03 -3.47 1.57 NaCl O2(g) -7.42 -10.29 -2.87 O2 Sylvite -5.24 -4.35 0.88 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 2. Using exchange 2. Exchange assemblage after simulation 4. Mixture 2. 0.000e+00 Solution 1 Solution after simulation 4. 1.000e+00 Solution 2 Solution after simulation 4. 0.000e+00 Solution 3 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 3.173e-02 3.173e-02 6.611e-01 -0.061 KX 1.627e-02 1.627e-02 3.389e-01 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.424e-03 4.424e-03 Cl 1.815e-02 1.815e-02 K 8.416e-03 8.416e-03 Na 1.416e-02 1.416e-02 ----------------------------Description of solution---------------------------- pH = 7.043 Charge balance pe = 12.789 Adjusted to redox equilibrium Specific Conductance (µS/cm, 16°C) = 2304 Density (g/cm³) = 1.00010 Volume (L) = 1.00155 Viscosity (mPa s) = 1.10687 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.258e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -3.923e-08 Temperature (°C) = 16.09 Electrical balance (eq) = 1.002e-07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.023e-07 9.067e-08 -6.990 -7.043 -0.052 0.00 OH- 6.356e-08 5.480e-08 -7.197 -7.261 -0.064 -4.43 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04 Br 4.424e-03 Br- 4.424e-03 3.802e-03 -2.354 -2.420 -0.066 24.16 Cl 1.815e-02 Cl- 1.815e-02 1.568e-02 -1.741 -1.805 -0.064 17.84 HCl 5.062e-10 5.175e-10 -9.296 -9.286 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.776 -42.774 0.002 28.62 K 8.416e-03 K+ 8.416e-03 7.261e-03 -2.075 -2.139 -0.064 8.78 Na 1.416e-02 Na+ 1.416e-02 1.231e-02 -1.849 -1.910 -0.061 -1.84 O(0) 3.178e-10 O2 1.589e-10 1.597e-10 -9.799 -9.797 0.002 29.62 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(289 K, 1 atm) H2(g) -39.70 -42.77 -3.08 H2 H2O(g) -1.74 -0.00 1.74 H2O Halite -5.28 -3.71 1.56 NaCl O2(g) -6.97 -9.80 -2.82 O2 Sylvite -4.80 -3.94 0.85 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 3. Using exchange 3. Exchange assemblage after simulation 4. Mixture 3. 0.000e+00 Solution 2 Solution after simulation 4. 1.000e+00 Solution 3 Solution after simulation 4. 0.000e+00 Solution 4 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 2.914e-02 2.914e-02 6.071e-01 0.000 NaX 1.886e-02 1.886e-02 3.929e-01 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 7.490e-03 7.490e-03 Cl 1.435e-02 1.435e-02 K 1.400e-02 1.400e-02 Na 7.840e-03 7.840e-03 ----------------------------Description of solution---------------------------- pH = 7.059 Charge balance pe = 13.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 11°C) = 2066 Density (g/cm³) = 1.00094 Volume (L) = 1.00090 Viscosity (mPa s) = 1.27974 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.184e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -5.732e-08 Temperature (°C) = 10.72 Electrical balance (eq) = 9.993e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.835e-08 8.738e-08 -7.007 -7.059 -0.051 0.00 OH- 4.144e-08 3.584e-08 -7.383 -7.446 -0.063 -4.83 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02 Br 7.490e-03 Br- 7.490e-03 6.458e-03 -2.126 -2.190 -0.064 23.73 Cl 1.435e-02 Cl- 1.435e-02 1.243e-02 -1.843 -1.906 -0.062 17.52 HCl 4.002e-10 4.088e-10 -9.398 -9.388 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.831 -43.829 0.002 28.62 K 1.400e-02 K+ 1.400e-02 1.212e-02 -1.854 -1.917 -0.063 8.52 Na 7.840e-03 Na+ 7.840e-03 6.832e-03 -2.106 -2.165 -0.060 -2.25 O(0) 5.419e-10 O2 2.710e-10 2.723e-10 -9.567 -9.565 0.002 29.03 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(283 K, 1 atm) H2(g) -40.77 -43.83 -3.06 H2 H2O(g) -1.89 -0.00 1.89 H2O Halite -5.63 -4.07 1.56 NaCl O2(g) -6.79 -9.56 -2.77 O2 Sylvite -4.65 -3.82 0.83 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 4. Using exchange 4. Exchange assemblage after simulation 4. Mixture 4. 0.000e+00 Solution 3 Solution after simulation 4. 1.000e+00 Solution 4 Solution after simulation 4. 0.000e+00 Solution 5 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 3.971e-02 3.971e-02 8.274e-01 0.000 NaX 8.286e-03 8.286e-03 1.726e-01 -0.059 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.068e-02 1.068e-02 Cl 1.093e-02 1.093e-02 K 1.829e-02 1.829e-02 Na 3.309e-03 3.309e-03 ----------------------------Description of solution---------------------------- pH = 7.065 Charge balance pe = 13.763 Adjusted to redox equilibrium Specific Conductance (µS/cm, 6°C) = 1889 Density (g/cm³) = 1.00139 Volume (L) = 1.00064 Viscosity (mPa s) = 1.46185 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.160e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -6.914e-08 Temperature (°C) = 6.19 Electrical balance (eq) = 9.964e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.674e-08 8.605e-08 -7.014 -7.065 -0.051 0.00 OH- 2.791e-08 2.418e-08 -7.554 -7.617 -0.062 -5.27 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02 Br 1.068e-02 Br- 1.068e-02 9.222e-03 -1.972 -2.035 -0.064 23.28 Cl 1.093e-02 Cl- 1.093e-02 9.481e-03 -1.962 -2.023 -0.062 17.16 HCl 3.092e-10 3.159e-10 -9.510 -9.501 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.722 -44.720 0.002 28.63 K 1.829e-02 K+ 1.829e-02 1.586e-02 -1.738 -1.800 -0.062 8.26 Na 3.309e-03 Na+ 3.309e-03 2.888e-03 -2.480 -2.539 -0.059 -2.66 O(0) 7.563e-10 O2 3.781e-10 3.800e-10 -9.422 -9.420 0.002 28.46 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(279 K, 1 atm) H2(g) -41.68 -44.72 -3.04 H2 H2O(g) -2.02 -0.00 2.02 H2O Halite -6.12 -4.56 1.55 NaCl O2(g) -6.69 -9.42 -2.73 O2 Sylvite -4.62 -3.82 0.80 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 5. Using exchange 5. Exchange assemblage after simulation 4. Mixture 5. 0.000e+00 Solution 4 Solution after simulation 4. 1.000e+00 Solution 5 Solution after simulation 4. 0.000e+00 Solution 6 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.530e-02 4.530e-02 9.438e-01 0.000 NaX 2.700e-03 2.700e-03 5.625e-02 -0.059 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.388e-02 1.388e-02 Cl 8.013e-03 8.013e-03 K 2.082e-02 2.082e-02 Na 1.075e-03 1.075e-03 ----------------------------Description of solution---------------------------- pH = 7.068 Charge balance pe = 14.080 Adjusted to redox equilibrium Specific Conductance (µS/cm, 3°C) = 1788 Density (g/cm³) = 1.00158 Volume (L) = 1.00065 Viscosity (mPa s) = 1.61216 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.189e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.547e-08 Temperature (°C) = 3.09 Electrical balance (eq) = 9.935e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.621e-08 8.557e-08 -7.017 -7.068 -0.051 0.00 OH- 2.097e-08 1.816e-08 -7.678 -7.741 -0.062 -5.63 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02 Br 1.388e-02 Br- 1.388e-02 1.198e-02 -1.858 -1.921 -0.064 22.91 Cl 8.013e-03 Cl- 8.013e-03 6.951e-03 -2.096 -2.158 -0.062 16.87 HCl 2.298e-10 2.348e-10 -9.639 -9.629 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.345 -45.343 0.002 28.64 K 2.082e-02 K+ 2.082e-02 1.804e-02 -1.682 -1.744 -0.062 8.06 Na 1.075e-03 Na+ 1.075e-03 9.384e-04 -2.968 -3.028 -0.059 -2.98 O(0) 9.363e-10 O2 4.682e-10 4.705e-10 -9.330 -9.327 0.002 28.00 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(276 K, 1 atm) H2(g) -42.32 -45.34 -3.03 H2 H2O(g) -2.12 -0.00 2.11 H2O Halite -6.74 -5.19 1.55 NaCl O2(g) -6.63 -9.33 -2.69 O2 Sylvite -4.68 -3.90 0.78 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 6. Using exchange 6. Exchange assemblage after simulation 4. Mixture 6. 0.000e+00 Solution 5 Solution after simulation 4. 1.000e+00 Solution 6 Solution after simulation 4. 0.000e+00 Solution 7 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.730e-02 4.730e-02 9.854e-01 0.000 NaX 7.029e-04 7.029e-04 1.464e-02 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.678e-02 1.678e-02 Cl 5.626e-03 5.626e-03 K 2.212e-02 2.212e-02 Na 2.847e-04 2.847e-04 ----------------------------Description of solution---------------------------- pH = 7.068 Charge balance pe = 14.262 Adjusted to redox equilibrium Specific Conductance (µS/cm, 1°C) = 1751 Density (g/cm³) = 1.00168 Volume (L) = 1.00073 Viscosity (mPa s) = 1.70747 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.241e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.855e-08 Temperature (°C) = 1.35 Electrical balance (eq) = 9.910e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.617e-08 8.547e-08 -7.017 -7.068 -0.051 0.00 OH- 1.777e-08 1.538e-08 -7.750 -7.813 -0.063 -5.86 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.678e-02 Br- 1.678e-02 1.447e-02 -1.775 -1.839 -0.064 22.68 Cl 5.626e-03 Cl- 5.626e-03 4.876e-03 -2.250 -2.312 -0.062 16.69 HCl 1.626e-10 1.663e-10 -9.789 -9.779 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.702 -45.700 0.002 28.64 K 2.212e-02 K+ 2.212e-02 1.916e-02 -1.655 -1.718 -0.063 7.94 Na 2.847e-04 Na+ 2.847e-04 2.482e-04 -3.546 -3.605 -0.060 -3.18 O(0) 1.066e-09 O2 5.330e-10 5.358e-10 -9.273 -9.271 0.002 27.72 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(274 K, 1 atm) H2(g) -42.68 -45.70 -3.02 H2 H2O(g) -2.17 -0.00 2.17 H2O Halite -7.47 -5.92 1.55 NaCl O2(g) -6.60 -9.27 -2.67 O2 Sylvite -4.80 -4.03 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 7. Using exchange 7. Exchange assemblage after simulation 4. Mixture 7. 0.000e+00 Solution 6 Solution after simulation 4. 1.000e+00 Solution 7 Solution after simulation 4. 0.000e+00 Solution 8 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.784e-02 4.784e-02 9.967e-01 0.000 NaX 1.567e-04 1.567e-04 3.264e-03 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.911e-02 1.911e-02 Cl 3.791e-03 3.791e-03 K 2.284e-02 2.284e-02 Na 6.468e-05 6.468e-05 ----------------------------Description of solution---------------------------- pH = 7.067 Charge balance pe = 14.352 Adjusted to redox equilibrium Specific Conductance (µS/cm, 1°C) = 1748 Density (g/cm³) = 1.00175 Volume (L) = 1.00080 Viscosity (mPa s) = 1.75568 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.290e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.018e-08 Temperature (°C) = 0.53 Electrical balance (eq) = 9.886e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.645e-08 8.566e-08 -7.016 -7.067 -0.052 0.00 OH- 1.638e-08 1.416e-08 -7.786 -7.849 -0.063 -5.98 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.911e-02 Br- 1.911e-02 1.646e-02 -1.719 -1.783 -0.065 22.56 Cl 3.791e-03 Cl- 3.791e-03 3.282e-03 -2.421 -2.484 -0.063 16.59 HCl 1.102e-10 1.127e-10 -9.958 -9.948 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.875 -45.873 0.002 28.64 K 2.284e-02 K+ 2.284e-02 1.975e-02 -1.641 -1.704 -0.063 7.88 Na 6.468e-05 Na+ 6.468e-05 5.633e-05 -4.189 -4.249 -0.060 -3.28 O(0) 1.146e-09 O2 5.732e-10 5.763e-10 -9.242 -9.239 0.002 27.58 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.86 -45.87 -3.01 H2 H2O(g) -2.19 -0.00 2.19 H2O Halite -8.28 -6.73 1.55 NaCl O2(g) -6.57 -9.24 -2.66 O2 Sylvite -4.96 -4.19 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 8. Using exchange 8. Exchange assemblage after simulation 4. Mixture 8. 0.000e+00 Solution 7 Solution after simulation 4. 1.000e+00 Solution 8 Solution after simulation 4. 0.000e+00 Solution 9 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.797e-02 4.797e-02 9.994e-01 0.000 NaX 3.110e-05 3.110e-05 6.480e-04 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.078e-02 2.078e-02 Cl 2.497e-03 2.497e-03 K 2.327e-02 2.327e-02 Na 1.303e-05 1.303e-05 ----------------------------Description of solution---------------------------- pH = 7.066 Charge balance pe = 14.391 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1759 Density (g/cm³) = 1.00182 Volume (L) = 1.00084 Viscosity (mPa s) = 1.77619 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.328e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.111e-08 Temperature (°C) = 0.19 Electrical balance (eq) = 9.860e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.684e-08 8.595e-08 -7.014 -7.066 -0.052 0.00 OH- 1.581e-08 1.365e-08 -7.801 -7.865 -0.064 -6.03 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.078e-02 Br- 2.078e-02 1.788e-02 -1.682 -1.748 -0.065 22.51 Cl 2.497e-03 Cl- 2.497e-03 2.159e-03 -2.603 -2.666 -0.063 16.55 HCl 7.290e-11 7.459e-11 -10.137 -10.127 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.948 -45.946 0.002 28.65 K 2.327e-02 K+ 2.327e-02 2.010e-02 -1.633 -1.697 -0.063 7.85 Na 1.303e-05 Na+ 1.303e-05 1.134e-05 -4.885 -4.945 -0.060 -3.32 O(0) 1.190e-09 O2 5.952e-10 5.984e-10 -9.225 -9.223 0.002 27.52 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.93 -45.95 -3.01 H2 H2O(g) -2.20 -0.00 2.20 H2O Halite -9.16 -7.61 1.55 NaCl O2(g) -6.56 -9.22 -2.66 O2 Sylvite -5.13 -4.36 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 9. Using exchange 9. Exchange assemblage after simulation 4. Mixture 9. 0.000e+00 Solution 8 Solution after simulation 4. 1.000e+00 Solution 9 Solution after simulation 4. 0.000e+00 Solution 10 Solution after simulation 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.799e-02 4.799e-02 9.999e-01 -0.000 NaX 5.623e-06 5.623e-06 1.172e-04 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.183e-02 2.183e-02 Cl 1.689e-03 1.689e-03 K 2.351e-02 2.351e-02 Na 2.379e-06 2.379e-06 ----------------------------Description of solution---------------------------- pH = 7.064 Charge balance pe = 14.406 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1771 Density (g/cm³) = 1.00186 Volume (L) = 1.00086 Viscosity (mPa s) = 1.78379 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.352e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.165e-08 Temperature (°C) = 0.06 Electrical balance (eq) = 9.833e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.717e-08 8.621e-08 -7.012 -7.064 -0.052 0.00 OH- 1.557e-08 1.344e-08 -7.808 -7.872 -0.064 -6.04 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.183e-02 Br- 2.183e-02 1.877e-02 -1.661 -1.726 -0.065 22.50 Cl 1.689e-03 Cl- 1.689e-03 1.459e-03 -2.772 -2.836 -0.063 16.54 HCl 4.945e-11 5.060e-11 -10.306 -10.296 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.976 -45.974 0.002 28.65 K 2.351e-02 K+ 2.351e-02 2.030e-02 -1.629 -1.692 -0.064 7.84 Na 2.379e-06 Na+ 2.379e-06 2.069e-06 -5.624 -5.684 -0.061 -3.33 O(0) 1.212e-09 O2 6.059e-10 6.092e-10 -9.218 -9.215 0.002 27.50 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.96 -45.97 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -10.07 -8.52 1.55 NaCl O2(g) -6.56 -9.22 -2.66 O2 Sylvite -5.29 -4.53 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 10. Using exchange 10. Exchange assemblage after simulation 4. Mixture 10. 0.000e+00 Solution 9 Solution after simulation 4. 1.000e+00 Solution 10 Solution after simulation 4. 0.000e+00 Solution 11 24 mM KBr, initial temp 0C -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 0.000 NaX 1.066e-06 1.066e-06 2.220e-05 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.233e-02 2.233e-02 Cl 1.304e-03 1.304e-03 K 2.363e-02 2.363e-02 Na 4.529e-07 4.529e-07 ----------------------------Description of solution---------------------------- pH = 7.064 Charge balance pe = 14.412 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1777 Density (g/cm³) = 1.00189 Volume (L) = 1.00087 Viscosity (mPa s) = 1.78613 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.363e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.190e-08 Temperature (°C) = 0.02 Electrical balance (eq) = 9.887e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.735e-08 8.636e-08 -7.012 -7.064 -0.052 0.00 OH- 1.549e-08 1.336e-08 -7.810 -7.874 -0.064 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.233e-02 Br- 2.233e-02 1.919e-02 -1.651 -1.717 -0.066 22.49 Cl 1.304e-03 Cl- 1.304e-03 1.127e-03 -2.885 -2.948 -0.063 16.54 HCl 3.824e-11 3.913e-11 -10.418 -10.407 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.985 -45.983 0.002 28.65 K 2.363e-02 K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84 Na 4.529e-07 Na+ 4.529e-07 3.938e-07 -6.344 -6.405 -0.061 -3.34 O(0) 1.221e-09 O2 6.103e-10 6.136e-10 -9.214 -9.212 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.97 -45.98 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -10.90 -9.35 1.55 NaCl O2(g) -6.55 -9.21 -2.66 O2 Sylvite -5.40 -4.64 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 5. ------------------------------------ copy cell 31 1-30 USER_GRAPH 1 -connect_simulations false END ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 6. ------------------------------------ TRANSPORT shifts 1 multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na implicit true 3 -12 # max_mixf = 3, min_dif_LM = -12 USER_GRAPH 1 Example 12b WARNING: No porosities were read; used the value 1.00e+00 from -multi_D. ------------------------------------ Column data retained from former run ------------------------------------ -headings MultiD&Visc&Implicit:Na Cl TC -start 10 x = DIST 20 PLOT_XY x, TOT("Na")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Red 30 PLOT_XY x, TOT("Cl")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Green 40 PLOT_XY x, TC, symbol = XCross, line_width = 0, symbol_size = 9, y-axis 2, color = Blue END ------------------------------------ Beginning of transport calculations. ------------------------------------ ------------------------------- Equilibrating initial solutions ------------------------------- Using solution 0. Solution after simulation 4. -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 1. 24 mM KBr, initial temp 0C Using exchange 1. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 2. 24 mM KBr, initial temp 0C Using exchange 2. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (26 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 3. 24 mM KBr, initial temp 0C Using exchange 3. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (39 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 4. 24 mM KBr, initial temp 0C Using exchange 4. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (52 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 5. 24 mM KBr, initial temp 0C Using exchange 5. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (65 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 6. 24 mM KBr, initial temp 0C Using exchange 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (78 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 7. 24 mM KBr, initial temp 0C Using exchange 7. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (91 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 8. 24 mM KBr, initial temp 0C Using exchange 8. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (104 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 9. 24 mM KBr, initial temp 0C Using exchange 9. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (117 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using solution 10. 24 mM KBr, initial temp 0C Using exchange 10. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 1.000e+00 -0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.400e-02 2.400e-02 K 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 12.957 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1805 Density (g/cm³) = 1.00197 Volume (L) = 1.00089 Viscosity (mPa s) = 1.78740 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.945e-08 Temperature (°C) = 0.00 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 13 (130 overall) Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00 OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.400e-02 Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65 K 2.400e-02 K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84 O(0) 1.011e-15 O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -39.94 -42.95 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O O2(g) -12.64 -15.29 -2.66 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. WARNING: Calculating implicit transport: 10 (mobile) cells, 1 shifts, 56 mixruns, max. mixf = 3. Transport step 1. Multicomponent diffusion run 56. Using solution 0. Solution after simulation 6. -----------------------------Solution composition------------------------------ Elements Molality Moles Cl 2.400e-02 2.400e-02 Na 2.400e-02 2.400e-02 ----------------------------Description of solution---------------------------- pH = 7.000 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (µS/cm, 24°C) = 2687 Density (g/cm³) = 0.99829 Volume (L) = 1.00312 Viscosity (mPa s) = 0.91317 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.400e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.679e-09 Temperature (°C) = 24.00 Electrical balance (eq) = 4.679e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 0 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00 OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06 Cl 2.400e-02 Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16 HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0) H(0) 1.422e-25 H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61 Na 2.400e-02 Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(297 K, 1 atm) H2(g) -22.05 -25.15 -3.10 H2 H2O(g) -1.53 -0.00 1.53 H2O Halite -4.94 -3.37 1.57 NaCl O2(g) -39.53 -42.41 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 1. Using exchange 1. Exchange assemblage after simulation 6. Mixture 1. 0.000e+00 Solution 0 Solution after simulation 6. 1.000e+00 Solution 1 Solution after simulation 6. 0.000e+00 Solution 2 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 4.288e-02 4.288e-02 8.933e-01 -0.063 KX 5.119e-03 5.119e-03 1.067e-01 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.496e-03 1.496e-03 Cl 2.204e-02 2.204e-02 K 2.870e-03 2.870e-03 Na 2.066e-02 2.066e-02 ----------------------------Description of solution---------------------------- pH = 7.016 Charge balance pe = 12.155 Adjusted to redox equilibrium Specific Conductance (µS/cm, 21°C) = 2563 Density (g/cm³) = 0.99896 Volume (L) = 1.00254 Viscosity (mPa s) = 0.96986 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.353e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -1.698e-08 Temperature (°C) = 21.42 Electrical balance (eq) = 9.963e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.090e-07 9.632e-08 -6.963 -7.016 -0.054 0.00 OH- 9.261e-08 7.953e-08 -7.033 -7.099 -0.066 -4.12 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05 Br 1.496e-03 Br- 1.496e-03 1.280e-03 -2.825 -2.893 -0.068 24.49 Cl 2.204e-02 Cl- 2.204e-02 1.896e-02 -1.657 -1.722 -0.065 18.07 HCl 6.286e-10 6.432e-10 -9.202 -9.192 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -41.479 -41.476 0.002 28.61 K 2.870e-03 K+ 2.870e-03 2.467e-03 -2.542 -2.608 -0.066 8.99 Na 2.066e-02 Na+ 2.066e-02 1.789e-02 -1.685 -1.747 -0.063 -1.50 O(0) 5.031e-11 O2 2.515e-11 2.529e-11 -10.599 -10.597 0.002 30.11 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(294 K, 1 atm) H2(g) -38.38 -41.48 -3.09 H2 H2O(g) -1.60 -0.00 1.60 H2O Halite -5.04 -3.47 1.57 NaCl O2(g) -7.73 -10.60 -2.87 O2 Sylvite -5.21 -4.33 0.88 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 2. Using exchange 2. Exchange assemblage after simulation 6. Mixture 2. 0.000e+00 Solution 1 Solution after simulation 6. 1.000e+00 Solution 2 Solution after simulation 6. 0.000e+00 Solution 3 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma NaX 3.084e-02 3.084e-02 6.425e-01 -0.061 KX 1.716e-02 1.716e-02 3.575e-01 0.000 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.518e-03 4.518e-03 Cl 1.812e-02 1.812e-02 K 8.876e-03 8.876e-03 Na 1.376e-02 1.376e-02 ----------------------------Description of solution---------------------------- pH = 7.039 Charge balance pe = 12.713 Adjusted to redox equilibrium Specific Conductance (µS/cm, 16°C) = 2321 Density (g/cm³) = 1.00010 Volume (L) = 1.00157 Viscosity (mPa s) = 1.10528 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.264e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -4.020e-08 Temperature (°C) = 16.15 Electrical balance (eq) = 1.004e-07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 2 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.031e-07 9.135e-08 -6.987 -7.039 -0.052 0.00 OH- 6.338e-08 5.463e-08 -7.198 -7.263 -0.065 -4.42 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04 Br 4.518e-03 Br- 4.518e-03 3.882e-03 -2.345 -2.411 -0.066 24.17 Cl 1.812e-02 Cl- 1.812e-02 1.565e-02 -1.742 -1.806 -0.064 17.84 HCl 5.088e-10 5.202e-10 -9.293 -9.284 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.617 -42.614 0.002 28.62 K 8.876e-03 K+ 8.876e-03 7.657e-03 -2.052 -2.116 -0.064 8.78 Na 1.376e-02 Na+ 1.376e-02 1.196e-02 -1.861 -1.922 -0.061 -1.84 O(0) 1.592e-10 O2 7.962e-11 8.003e-11 -10.099 -10.097 0.002 29.62 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(289 K, 1 atm) H2(g) -39.54 -42.61 -3.08 H2 H2O(g) -1.74 -0.00 1.74 H2O Halite -5.29 -3.73 1.56 NaCl O2(g) -7.27 -10.10 -2.82 O2 Sylvite -4.78 -3.92 0.85 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 3. Using exchange 3. Exchange assemblage after simulation 6. Mixture 3. 0.000e+00 Solution 2 Solution after simulation 6. 1.000e+00 Solution 3 Solution after simulation 6. 0.000e+00 Solution 4 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 3.025e-02 3.025e-02 6.301e-01 0.000 NaX 1.775e-02 1.775e-02 3.699e-01 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 7.621e-03 7.621e-03 Cl 1.437e-02 1.437e-02 K 1.458e-02 1.458e-02 Na 7.407e-03 7.407e-03 ----------------------------Description of solution---------------------------- pH = 7.052 Charge balance pe = 13.230 Adjusted to redox equilibrium Specific Conductance (µS/cm, 11°C) = 2101 Density (g/cm³) = 1.00093 Volume (L) = 1.00093 Viscosity (mPa s) = 1.27129 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.199e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -5.872e-08 Temperature (°C) = 10.95 Electrical balance (eq) = 9.946e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.996e-08 8.878e-08 -7.000 -7.052 -0.052 0.00 OH- 4.165e-08 3.600e-08 -7.380 -7.444 -0.063 -4.81 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02 Br 7.621e-03 Br- 7.621e-03 6.568e-03 -2.118 -2.183 -0.065 23.75 Cl 1.437e-02 Cl- 1.437e-02 1.244e-02 -1.843 -1.905 -0.063 17.53 HCl 4.064e-10 4.153e-10 -9.391 -9.382 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.652 -43.650 0.002 28.62 K 1.458e-02 K+ 1.458e-02 1.262e-02 -1.836 -1.899 -0.063 8.53 Na 7.407e-03 Na+ 7.407e-03 6.452e-03 -2.130 -2.190 -0.060 -2.23 O(0) 2.879e-10 O2 1.440e-10 1.447e-10 -9.842 -9.840 0.002 29.06 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(284 K, 1 atm) H2(g) -40.59 -43.65 -3.06 H2 H2O(g) -1.88 -0.00 1.88 H2O Halite -5.65 -4.10 1.56 NaCl O2(g) -7.06 -9.84 -2.77 O2 Sylvite -4.63 -3.80 0.83 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 4. Using exchange 4. Exchange assemblage after simulation 6. Mixture 4. 0.000e+00 Solution 3 Solution after simulation 6. 1.000e+00 Solution 4 Solution after simulation 6. 0.000e+00 Solution 5 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.013e-02 4.013e-02 8.359e-01 0.000 NaX 7.874e-03 7.874e-03 1.641e-01 -0.059 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.083e-02 1.083e-02 Cl 1.100e-02 1.100e-02 K 1.866e-02 1.866e-02 Na 3.173e-03 3.173e-03 ----------------------------Description of solution---------------------------- pH = 7.058 Charge balance pe = 13.682 Adjusted to redox equilibrium Specific Conductance (µS/cm, 7°C) = 1928 Density (g/cm³) = 1.00139 Volume (L) = 1.00067 Viscosity (mPa s) = 1.44790 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.184e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.033e-08 Temperature (°C) = 6.50 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.832e-08 8.741e-08 -7.007 -7.058 -0.051 0.00 OH- 2.830e-08 2.450e-08 -7.548 -7.611 -0.063 -5.24 H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02 Br 1.083e-02 Br- 1.083e-02 9.349e-03 -1.965 -2.029 -0.064 23.32 Cl 1.100e-02 Cl- 1.100e-02 9.542e-03 -1.958 -2.020 -0.062 17.19 HCl 3.155e-10 3.223e-10 -9.501 -9.492 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.548 -44.546 0.002 28.63 K 1.866e-02 K+ 1.866e-02 1.617e-02 -1.729 -1.791 -0.062 8.28 Na 3.173e-03 Na+ 3.173e-03 2.767e-03 -2.499 -2.558 -0.059 -2.63 O(0) 4.412e-10 O2 2.206e-10 2.217e-10 -9.656 -9.654 0.002 28.50 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(279 K, 1 atm) H2(g) -41.50 -44.55 -3.04 H2 H2O(g) -2.01 -0.00 2.01 H2O Halite -6.13 -4.58 1.55 NaCl O2(g) -6.92 -9.65 -2.73 O2 Sylvite -4.61 -3.81 0.80 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 5. Using exchange 5. Exchange assemblage after simulation 6. Mixture 5. 0.000e+00 Solution 4 Solution after simulation 6. 1.000e+00 Solution 5 Solution after simulation 6. 0.000e+00 Solution 6 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.519e-02 4.519e-02 9.414e-01 0.000 NaX 2.810e-03 2.810e-03 5.855e-02 -0.059 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.401e-02 1.401e-02 Cl 8.098e-03 8.098e-03 K 2.098e-02 2.098e-02 Na 1.130e-03 1.130e-03 ----------------------------Description of solution---------------------------- pH = 7.063 Charge balance pe = 14.015 Adjusted to redox equilibrium Specific Conductance (µS/cm, 3°C) = 1819 Density (g/cm³) = 1.00160 Volume (L) = 1.00066 Viscosity (mPa s) = 1.59878 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.211e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.635e-08 Temperature (°C) = 3.34 Electrical balance (eq) = 9.944e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.737e-08 8.656e-08 -7.012 -7.063 -0.051 0.00 OH- 2.126e-08 1.840e-08 -7.673 -7.735 -0.063 -5.60 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.401e-02 Br- 1.401e-02 1.209e-02 -1.853 -1.917 -0.064 22.94 Cl 8.098e-03 Cl- 8.098e-03 7.020e-03 -2.092 -2.154 -0.062 16.90 HCl 2.343e-10 2.395e-10 -9.630 -9.621 0.009 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.207 -45.205 0.002 28.64 K 2.098e-02 K+ 2.098e-02 1.817e-02 -1.678 -1.741 -0.062 8.08 Na 1.130e-03 Na+ 1.130e-03 9.857e-04 -2.947 -3.006 -0.059 -2.95 O(0) 6.194e-10 O2 3.097e-10 3.113e-10 -9.509 -9.507 0.002 28.04 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(276 K, 1 atm) H2(g) -42.18 -45.21 -3.03 H2 H2O(g) -2.11 -0.00 2.11 H2O Halite -6.71 -5.16 1.55 NaCl O2(g) -6.81 -9.51 -2.70 O2 Sylvite -4.68 -3.89 0.78 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 6. Using exchange 6. Exchange assemblage after simulation 6. Mixture 6. 0.000e+00 Solution 5 Solution after simulation 6. 1.000e+00 Solution 6 Solution after simulation 6. 0.000e+00 Solution 7 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.713e-02 4.713e-02 9.819e-01 0.000 NaX 8.677e-04 8.677e-04 1.808e-02 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.686e-02 1.686e-02 Cl 5.701e-03 5.701e-03 K 2.221e-02 2.221e-02 Na 3.538e-04 3.538e-04 ----------------------------Description of solution---------------------------- pH = 7.064 Charge balance pe = 14.222 Adjusted to redox equilibrium Specific Conductance (µS/cm, 2°C) = 1769 Density (g/cm³) = 1.00169 Volume (L) = 1.00073 Viscosity (mPa s) = 1.69862 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.256e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -7.938e-08 Temperature (°C) = 1.50 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.709e-08 8.627e-08 -7.013 -7.064 -0.051 0.00 OH- 1.788e-08 1.546e-08 -7.748 -7.811 -0.063 -5.84 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.686e-02 Br- 1.686e-02 1.454e-02 -1.773 -1.838 -0.064 22.70 Cl 5.701e-03 Cl- 5.701e-03 4.938e-03 -2.244 -2.306 -0.062 16.70 HCl 1.661e-10 1.698e-10 -9.780 -9.770 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.615 -45.612 0.002 28.64 K 2.221e-02 K+ 2.221e-02 1.922e-02 -1.653 -1.716 -0.063 7.95 Na 3.538e-04 Na+ 3.538e-04 3.083e-04 -3.451 -3.511 -0.060 -3.16 O(0) 8.151e-10 O2 4.076e-10 4.097e-10 -9.390 -9.388 0.002 27.75 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(274 K, 1 atm) H2(g) -42.59 -45.61 -3.02 H2 H2O(g) -2.16 -0.00 2.16 H2O Halite -7.37 -5.82 1.55 NaCl O2(g) -6.71 -9.39 -2.68 O2 Sylvite -4.80 -4.02 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 7. Using exchange 7. Exchange assemblage after simulation 6. Mixture 7. 0.000e+00 Solution 6 Solution after simulation 6. 1.000e+00 Solution 7 Solution after simulation 6. 0.000e+00 Solution 8 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.776e-02 4.776e-02 9.949e-01 0.000 NaX 2.446e-04 2.446e-04 5.096e-03 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.913e-02 1.913e-02 Cl 3.862e-03 3.862e-03 K 2.289e-02 2.289e-02 Na 1.014e-04 1.014e-04 ----------------------------Description of solution---------------------------- pH = 7.064 Charge balance pe = 14.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 1°C) = 1759 Density (g/cm³) = 1.00176 Volume (L) = 1.00080 Viscosity (mPa s) = 1.75105 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.299e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.102e-08 Temperature (°C) = 0.60 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.728e-08 8.638e-08 -7.012 -7.064 -0.052 0.00 OH- 1.637e-08 1.415e-08 -7.786 -7.849 -0.064 -5.97 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 1.913e-02 Br- 1.913e-02 1.648e-02 -1.718 -1.783 -0.065 22.57 Cl 3.862e-03 Cl- 3.862e-03 3.342e-03 -2.413 -2.476 -0.063 16.60 HCl 1.131e-10 1.157e-10 -9.946 -9.937 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.834 -45.831 0.002 28.64 K 2.289e-02 K+ 2.289e-02 1.979e-02 -1.640 -1.704 -0.063 7.88 Na 1.014e-04 Na+ 1.014e-04 8.826e-05 -3.994 -4.054 -0.060 -3.27 O(0) 1.013e-09 O2 5.067e-10 5.094e-10 -9.295 -9.293 0.002 27.59 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.82 -45.83 -3.01 H2 H2O(g) -2.19 -0.00 2.19 H2O Halite -8.08 -6.53 1.55 NaCl O2(g) -6.63 -9.29 -2.67 O2 Sylvite -4.95 -4.18 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 8. Using exchange 8. Exchange assemblage after simulation 6. Mixture 8. 0.000e+00 Solution 7 Solution after simulation 6. 1.000e+00 Solution 8 Solution after simulation 6. 0.000e+00 Solution 9 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.794e-02 4.794e-02 9.986e-01 0.000 NaX 6.490e-05 6.490e-05 1.352e-03 -0.060 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.075e-02 2.075e-02 Cl 2.570e-03 2.570e-03 K 2.329e-02 2.329e-02 Na 2.724e-05 2.724e-05 ----------------------------Description of solution---------------------------- pH = 7.062 Charge balance pe = 14.391 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1764 Density (g/cm³) = 1.00182 Volume (L) = 1.00084 Viscosity (mPa s) = 1.77408 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.332e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.198e-08 Temperature (°C) = 0.22 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.764e-08 8.665e-08 -7.010 -7.062 -0.052 0.00 OH- 1.573e-08 1.358e-08 -7.803 -7.867 -0.064 -6.02 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.075e-02 Br- 2.075e-02 1.786e-02 -1.683 -1.748 -0.065 22.52 Cl 2.570e-03 Cl- 2.570e-03 2.222e-03 -2.590 -2.653 -0.063 16.56 HCl 7.561e-11 7.735e-11 -10.121 -10.112 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.942 -45.940 0.002 28.65 K 2.329e-02 K+ 2.329e-02 2.012e-02 -1.633 -1.696 -0.064 7.85 Na 2.724e-05 Na+ 2.724e-05 2.370e-05 -4.565 -4.625 -0.060 -3.31 O(0) 1.193e-09 O2 5.966e-10 5.998e-10 -9.224 -9.222 0.002 27.53 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.93 -45.94 -3.01 H2 H2O(g) -2.20 -0.00 2.20 H2O Halite -8.83 -7.28 1.55 NaCl O2(g) -6.56 -9.22 -2.66 O2 Sylvite -5.11 -4.35 0.77 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 9. Using exchange 9. Exchange assemblage after simulation 6. Mixture 9. 0.000e+00 Solution 8 Solution after simulation 6. 1.000e+00 Solution 9 Solution after simulation 6. 0.000e+00 Solution 10 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.798e-02 4.798e-02 9.997e-01 0.000 NaX 1.662e-05 1.662e-05 3.462e-04 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.177e-02 2.177e-02 Cl 1.765e-03 1.765e-03 K 2.352e-02 2.352e-02 Na 7.034e-06 7.034e-06 ----------------------------Description of solution---------------------------- pH = 7.061 Charge balance pe = 14.419 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1773 Density (g/cm³) = 1.00186 Volume (L) = 1.00086 Viscosity (mPa s) = 1.78288 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.353e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.253e-08 Temperature (°C) = 0.08 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.795e-08 8.690e-08 -7.009 -7.061 -0.052 0.00 OH- 1.547e-08 1.335e-08 -7.810 -7.875 -0.064 -6.04 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.177e-02 Br- 2.177e-02 1.872e-02 -1.662 -1.728 -0.066 22.50 Cl 1.765e-03 Cl- 1.765e-03 1.526e-03 -2.753 -2.817 -0.063 16.54 HCl 5.210e-11 5.331e-11 -10.283 -10.273 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.994 -45.992 0.002 28.65 K 2.352e-02 K+ 2.352e-02 2.031e-02 -1.628 -1.692 -0.064 7.84 Na 7.034e-06 Na+ 7.034e-06 6.117e-06 -5.153 -5.213 -0.061 -3.33 O(0) 1.331e-09 O2 6.656e-10 6.693e-10 -9.177 -9.174 0.002 27.50 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -42.98 -45.99 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -9.58 -8.03 1.55 NaCl O2(g) -6.51 -9.17 -2.66 O2 Sylvite -5.27 -4.51 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Using mix 10. Using exchange 10. Exchange assemblage after simulation 6. Mixture 10. 0.000e+00 Solution 9 Solution after simulation 6. 1.000e+00 Solution 10 Solution after simulation 6. 0.000e+00 Solution 11 Solution after simulation 6. -----------------------------Exchange composition------------------------------ X 4.800e-02 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 4.800e-02 4.800e-02 9.999e-01 0.000 NaX 4.922e-06 4.922e-06 1.025e-04 -0.061 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 2.225e-02 2.225e-02 Cl 1.383e-03 1.383e-03 K 2.363e-02 2.363e-02 Na 2.092e-06 2.092e-06 ----------------------------Description of solution---------------------------- pH = 7.060 Charge balance pe = 14.430 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 1778 Density (g/cm³) = 1.00188 Volume (L) = 1.00087 Viscosity (mPa s) = 1.78568 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.363e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -8.279e-08 Temperature (°C) = 0.03 Electrical balance (eq) = 9.945e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 3 Total H = 1.110124e+02 Total O = 5.550622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.813e-08 8.704e-08 -7.008 -7.060 -0.052 0.00 OH- 1.538e-08 1.327e-08 -7.813 -7.877 -0.064 -6.05 H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02 Br 2.225e-02 Br- 2.225e-02 1.913e-02 -1.653 -1.718 -0.066 22.49 Cl 1.383e-03 Cl- 1.383e-03 1.195e-03 -2.859 -2.923 -0.063 16.54 HCl 4.088e-11 4.184e-11 -10.388 -10.378 0.010 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -46.015 -46.012 0.002 28.65 K 2.363e-02 K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84 Na 2.092e-06 Na+ 2.092e-06 1.819e-06 -5.680 -5.740 -0.061 -3.34 O(0) 1.407e-09 O2 7.033e-10 7.071e-10 -9.153 -9.151 0.002 27.49 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(273 K, 1 atm) H2(g) -43.00 -46.01 -3.01 H2 H2O(g) -2.21 -0.00 2.21 H2O Halite -10.21 -8.66 1.55 NaCl O2(g) -6.49 -9.15 -2.66 O2 Sylvite -5.38 -4.61 0.76 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 7. ------------------------------------ ------------------------------- End of Run after 0.327 Seconds. -------------------------------