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218 lines
7.8 KiB
Plaintext
218 lines
7.8 KiB
Plaintext
Input file: ../examples/ex11
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Output file: ex11.out
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Database file: ../database/phreeqc.dat
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Reading data base.
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SOLUTION_MASTER_SPECIES
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SOLUTION_SPECIES
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PHASES
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GAS_BINARY_PARAMETERS
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EXCHANGE_MASTER_SPECIES
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EXCHANGE_SPECIES
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SURFACE_MASTER_SPECIES
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SURFACE_SPECIES
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MEAN_GAMMAS
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RATES
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END
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------------------------------------
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Reading input data for simulation 1.
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------------------------------------
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TITLE Example 11.--Transport and cation exchange.
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SOLUTION 0 CaCl2
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units mmol/kgw
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temp 25.0
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pH 7.0 charge
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pe 12.5 O2(g) -0.68
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Ca 0.6
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Cl 1.2
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SOLUTION 1-40 Initial solution for column
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units mmol/kgw
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temp 25.0
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pH 7.0 charge
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pe 12.5 O2(g) -0.68
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Na 1.0
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K 0.2
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N(5) 1.2
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END
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-----
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TITLE
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-----
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Example 11.--Transport and cation exchange.
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Beginning of initial solution calculations.
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-------------------------------------------
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Initial solution 0. CaCl2
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Ca 6.000e-04 6.000e-04
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Cl 1.200e-03 1.200e-03
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----------------------------Description of solution----------------------------
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pH = 6.995 Charge balance
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pe = 13.632 Equilibrium with O2(g)
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Specific Conductance (µS/cm, 25°C) = 155
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Density (g/cm³) = 0.99710
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Volume (L) = 1.00298
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Viscosity (mPa s) = 0.89067
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Activity of water = 1.000
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Ionic strength (mol/kgw) = 1.800e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -1.854e-20
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Temperature (°C) = 25.00
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Electrical balance (eq) = 2.979e-18
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 4
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Total H = 1.110124e+02
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Total O = 5.550675e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.057e-07 1.012e-07 -6.976 -6.995 -0.019 0.00
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OH- 1.049e-07 1.001e-07 -6.979 -7.000 -0.021 -4.10
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H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
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Ca 6.000e-04
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Ca+2 6.000e-04 4.983e-04 -3.222 -3.302 -0.081 -18.10
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CaOH+ 8.570e-10 8.175e-10 -9.067 -9.087 -0.020 (0)
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Cl 1.200e-03
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Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 18.08
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HCl 3.981e-11 3.988e-11 -10.400 -10.399 0.001 (0)
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61
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O(0) 5.351e-04
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O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(298 K, 1 atm)
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H2(g) -41.30 -44.40 -3.10 H2
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H2O(g) -1.50 -0.00 1.50 H2O
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O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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Initial solution 1. Initial solution for column
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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K 2.000e-04 2.000e-04
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N(5) 1.200e-03 1.200e-03
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Na 1.000e-03 1.000e-03
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----------------------------Description of solution----------------------------
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pH = 6.997 Charge balance
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pe = 13.630 Equilibrium with O2(g)
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Specific Conductance (µS/cm, 25°C) = 145
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Density (g/cm³) = 0.99711
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Volume (L) = 1.00301
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Viscosity (mPa s) = 0.89020
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Activity of water = 1.000
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Ionic strength (mol/kgw) = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -1.027e-18
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Temperature (°C) = 25.00
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Electrical balance (eq) = -9.088e-17
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
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Iterations = 3 (7 overall)
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Total H = 1.110124e+02
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Total O = 5.551035e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.045e-07 1.007e-07 -6.981 -6.997 -0.016 0.00
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OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10
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H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61
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K 2.000e-04
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K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01
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N(5) 1.200e-03
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NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49
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Na 1.000e-03
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Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47
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O(0) 5.351e-04
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O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(298 K, 1 atm)
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H2(g) -41.30 -44.40 -3.10 H2
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H2O(g) -1.50 -0.00 1.50 H2O
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O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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End of simulation.
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Reading input data for simulation 2.
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EXCHANGE 1-40
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equilibrate 1
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X 0.0011
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COPY cell 1 101
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END
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Beginning of initial exchange-composition calculations.
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Exchange 1.
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X 1.100e-03 mol
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Equiv- Equivalent Log
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Species Moles alents Fraction Gamma
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KX 5.507e-04 5.507e-04 5.006e-01 -0.017
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NaX 5.493e-04 5.493e-04 4.994e-01 -0.017
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End of simulation.
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Reading input data for simulation 3.
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ADVECTION
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cells 40
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shifts 100
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punch_cells 40
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punch_frequency 1
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print_cells 40
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print_frequency 20
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PRINT
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reset false
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
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WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
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WARNING:
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Calculating transport: 40 (mobile) cells, 100 shifts, 4 mixruns...
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