Input file: ../examples/ex11 Output file: ex11.out Database file: ../database/phreeqc.dat ------------------ Reading data base. ------------------ SOLUTION_MASTER_SPECIES SOLUTION_SPECIES PHASES EXCHANGE_MASTER_SPECIES EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES RATES END ------------------------------------ Reading input data for simulation 1. ------------------------------------ TITLE Example 11.--Transport and cation exchange. SOLUTION 0 CaCl2 units mmol/kgw temp 25.0 pH 7.0 charge pe 12.5 O2(g) -0.68 Ca 0.6 Cl 1.2 SOLUTION 1-40 Initial solution for column units mmol/kgw temp 25.0 pH 7.0 charge pe 12.5 O2(g) -0.68 Na 1.0 K 0.2 N(5) 1.2 END ----- TITLE ----- Example 11.--Transport and cation exchange. ------------------------------------------- Beginning of initial solution calculations. ------------------------------------------- Initial solution 0. CaCl2 -----------------------------Solution composition------------------------------ Elements Molality Moles Ca 6.000e-04 6.000e-04 Cl 1.200e-03 1.200e-03 ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance pe = 13.632 Equilibrium with O2(g) Specific Conductance (µS/cm, 25°C) = 152 Density (g/cm³) = 0.99710 Volume (L) = 1.00298 Viscosity (mPa s) = 0.89067 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.800e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.687e-21 Temperature (°C) = 25.00 Electrical balance (eq) = 4.260e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+02 Total O = 5.550675e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 0.00 OH- 1.049e-07 1.001e-07 -6.979 -7.000 -0.021 -4.10 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 Ca 6.000e-04 Ca+2 6.000e-04 4.983e-04 -3.222 -3.302 -0.081 -18.10 CaOH+ 8.570e-10 8.175e-10 -9.067 -9.087 -0.020 (0) Cl 1.200e-03 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 18.08 HCl 3.981e-11 3.988e-11 -10.400 -10.399 0.001 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 O(0) 5.351e-04 O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.30 -44.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Initial solution 1. Initial solution for column -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-04 2.000e-04 N(5) 1.200e-03 1.200e-03 Na 1.000e-03 1.000e-03 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Equilibrium with O2(g) Specific Conductance (µS/cm, 25°C) = 145 Density (g/cm³) = 0.99711 Volume (L) = 1.00301 Viscosity (mPa s) = 0.89020 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -9.247e-19 Temperature (°C) = 25.00 Electrical balance (eq) = -9.243e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 (7 overall) Total H = 1.110124e+02 Total O = 5.551035e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00 OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61 K 2.000e-04 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01 N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) H2(g) -41.30 -44.40 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000 **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. ------------------------------------ EXCHANGE 1-40 equilibrate 1 X 0.0011 COPY cell 1 101 END ------------------------------------------------------- Beginning of initial exchange-composition calculations. ------------------------------------------------------- Exchange 1. X 1.100e-03 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-04 5.507e-04 5.006e-01 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017 ------------------ End of simulation. ------------------ ------------------------------------ Reading input data for simulation 3. ------------------------------------ ADVECTION cells 40 shifts 100 punch_cells 40 punch_frequency 1 print_cells 40 print_frequency 20 PRINT reset false WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. WARNING: Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns...