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-004 6.000e-004 Cl 1.200e-003 1.200e-003 ----------------------------Description of solution---------------------------- pH = 6.995 Charge balance pe = 13.632 Equilibrium with O2(g) Specific Conductance (uS/cm, 25 oC) = 155 Density (g/cm3) = 0.99710 Volume (L) = 1.00298 Activity of water = 1.000 Ionic strength = 1.800e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = 6.950e-020 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = 4.519e-018 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 4 Total H = 1.110124e+002 Total O = 5.550675e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol H+ 1.058e-007 1.012e-007 -6.976 -6.995 -0.019 0.00 OH- 1.049e-007 1.000e-007 -6.979 -7.000 -0.021 -4.10 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 Ca 6.000e-004 Ca+2 6.000e-004 4.983e-004 -3.222 -3.302 -0.081 -18.10 CaOH+ 8.569e-010 8.174e-010 -9.067 -9.088 -0.020 (0) Cl 1.200e-003 Cl- 1.200e-003 1.144e-003 -2.921 -2.941 -0.021 18.08 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -44.404 -44.404 0.000 28.61 O(0) 5.351e-004 O2 2.675e-004 2.676e-004 -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. Initial solution 1. Initial solution for column -----------------------------Solution composition------------------------------ Elements Molality Moles K 2.000e-004 2.000e-004 N(5) 1.200e-003 1.200e-003 Na 1.000e-003 1.000e-003 ----------------------------Description of solution---------------------------- pH = 6.997 Charge balance pe = 13.630 Equilibrium with O2(g) Specific Conductance (uS/cm, 25 oC) = 146 Density (g/cm3) = 0.99711 Volume (L) = 1.00301 Activity of water = 1.000 Ionic strength = 1.200e-003 Mass of water (kg) = 1.000e+000 Total alkalinity (eq/kg) = -9.247e-019 Total carbon (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+000 Temperature (deg C) = 25.00 Electrical balance (eq) = -9.243e-017 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 3 Total H = 1.110124e+002 Total O = 5.551035e+001 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol H+ 1.045e-007 1.007e-007 -6.981 -6.997 -0.016 0.00 OH- 1.045e-007 1.005e-007 -6.981 -6.998 -0.017 -4.10 H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 18.07 H(0) 0.000e+000 H2 0.000e+000 0.000e+000 -44.404 -44.404 0.000 28.61 K 2.000e-004 K+ 2.000e-004 1.923e-004 -3.699 -3.716 -0.017 9.01 N(5) 1.200e-003 NO3- 1.200e-003 1.154e-003 -2.921 -2.938 -0.017 29.53 Na 1.000e-003 Na+ 1.000e-003 9.621e-004 -3.000 -3.017 -0.017 -1.38 NaOH 9.666e-021 9.668e-021 -20.015 -20.015 0.000 (0) O(0) 5.351e-004 O2 2.676e-004 2.676e-004 -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. ------------------ 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-003 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma KX 5.507e-004 5.507e-004 5.006e-001 -0.017 NaX 5.493e-004 5.493e-004 4.994e-001 -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. SSQD for Cl after 2 Pore Volumes: 7.985703293728e-005 (mmol/L)^2 ------------------------------- End of Run after 6.718 Seconds. -------------------------------