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Advect_cpp.chem.txt
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------------------------------------
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
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.950e-20
Temperature (°C) = 25.00
Electrical balance (eq) = 4.519e-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+ 1.058e-07 1.012e-07 -6.976 -6.995 -0.019 0.00
OH- 1.049e-07 1.000e-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+ 8.569e-10 8.174e-10 -9.067 -9.088 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 18.08
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
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
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.
------------------------------------
SELECTED_OUTPUT
file advect.sel
reset false
totals Na Cl K Ca
USER_PUNCH
heading Temperature Pressure Hyd_K
10 PUNCH TC, PRESSURE
20 PUNCH CALLBACK(cell_no, 0, "HYDRAULIC_K")
END
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
-------------------------------
End of Run after 0.823 Seconds.
-------------------------------
The message is writtenrittenTime: 10
Chemistry cell: 0
Grid cell(s) (0-based): 0 20
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 0
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 0. Solution after simulation 1.
Using exchange 0. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
CaX2 1.100e-04 2.200e-04 1.000e+00 -0.080
KX 5.579e-15 5.579e-15 2.536e-11 -0.020
NaX 9.246e-22 9.246e-22 4.203e-18 -0.020
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 6.000e-04 1.196e-04
Cl 1.200e-03 2.393e-04
K 2.946e-13 5.875e-14
Na 2.522e-19 5.029e-20
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.969 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 136
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = -8.678e-21
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 1.077e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.715e-08 8.341e-08 -7.060 -7.079 -0.019 0.00
OH- 8.611e-08 8.215e-08 -7.065 -7.085 -0.020 -4.31
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 6.000e-04
Ca+2 6.000e-04 4.991e-04 -3.222 -3.302 -0.080 -18.16
CaOH+ 1.041e-09 9.931e-10 -8.983 -9.003 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.145e-03 -2.921 -2.941 -0.020 17.92
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 2.946e-13
K+ 2.946e-13 2.811e-13 -12.531 -12.551 -0.020 8.85
Na 2.522e-19
Na+ 2.522e-19 2.407e-19 -18.598 -18.618 -0.020 -1.74
NaOH 1.976e-36 1.977e-36 -35.704 -35.704 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -23.13 -21.56 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -16.37 -15.49 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.818 Seconds.
---------------------------------
Time: 10
Chemistry cell: 1
Grid cell(s) (0-based): 1 21
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 1
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. Solution after simulation 1.
Using exchange 1. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
CaX2 1.100e-04 2.200e-04 1.000e+00 -0.080
KX 1.234e-12 1.234e-12 5.609e-09 -0.020
NaX 1.560e-18 1.560e-18 7.089e-15 -0.020
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 6.000e-04 1.196e-04
Cl 1.200e-03 2.393e-04
K 6.516e-11 1.299e-11
Na 4.254e-16 8.482e-17
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.969 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 136
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = -5.106e-20
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 7.850e-19
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 5
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.715e-08 8.341e-08 -7.060 -7.079 -0.019 0.00
OH- 8.611e-08 8.215e-08 -7.065 -7.085 -0.020 -4.31
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 6.000e-04
Ca+2 6.000e-04 4.991e-04 -3.222 -3.302 -0.080 -18.16
CaOH+ 1.041e-09 9.931e-10 -8.983 -9.003 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.145e-03 -2.921 -2.941 -0.020 17.92
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 6.516e-11
K+ 6.516e-11 6.217e-11 -10.186 -10.206 -0.020 8.85
Na 4.254e-16
Na+ 4.254e-16 4.061e-16 -15.371 -15.391 -0.020 -1.74
NaOH 3.334e-33 3.335e-33 -32.477 -32.477 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -19.90 -18.33 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -14.02 -13.15 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.822 Seconds.
---------------------------------
Time: 10
Chemistry cell: 2
Grid cell(s) (0-based): 2 22
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 2
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 2. Solution after simulation 1.
Using exchange 2. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
CaX2 1.100e-04 2.200e-04 1.000e+00 -0.080
KX 1.614e-10 1.614e-10 7.337e-07 -0.020
NaX 1.938e-15 1.938e-15 8.808e-12 -0.020
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 6.000e-04 1.196e-04
Cl 1.200e-03 2.393e-04
K 8.524e-09 1.700e-09
Na 5.285e-13 1.054e-13
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.969 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 136
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = 3.834e-19
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 8.537e-19
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 6
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.715e-08 8.341e-08 -7.060 -7.079 -0.019 0.00
OH- 8.611e-08 8.215e-08 -7.065 -7.085 -0.020 -4.31
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 6.000e-04
Ca+2 6.000e-04 4.991e-04 -3.222 -3.302 -0.080 -18.16
CaOH+ 1.041e-09 9.931e-10 -8.983 -9.003 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.145e-03 -2.921 -2.941 -0.020 17.92
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 8.524e-09
K+ 8.524e-09 8.133e-09 -8.069 -8.090 -0.020 8.85
Na 5.285e-13
Na+ 5.285e-13 5.045e-13 -12.277 -12.297 -0.020 -1.74
NaOH 4.142e-30 4.144e-30 -29.383 -29.383 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -16.80 -15.24 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -11.91 -11.03 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.826 Seconds.
---------------------------------
Time: 10
Chemistry cell: 3
Grid cell(s) (0-based): 3 23
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 3
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 3. Solution after simulation 1.
Using exchange 3. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
CaX2 1.100e-04 2.200e-04 9.999e-01 -0.080
KX 1.700e-08 1.700e-08 7.725e-05 -0.020
NaX 2.274e-12 2.274e-12 1.034e-08 -0.020
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 5.996e-04 1.196e-04
Cl 1.200e-03 2.393e-04
K 8.972e-07 1.789e-07
Na 6.201e-10 1.236e-10
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.969 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 137
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = 1.771e-19
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 6.041e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 6
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.715e-08 8.341e-08 -7.060 -7.079 -0.019 0.00
OH- 8.611e-08 8.215e-08 -7.065 -7.085 -0.020 -4.31
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 5.996e-04
Ca+2 5.996e-04 4.987e-04 -3.222 -3.302 -0.080 -18.16
CaOH+ 1.040e-09 9.923e-10 -8.983 -9.003 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.145e-03 -2.921 -2.941 -0.020 17.92
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 8.972e-07
K+ 8.972e-07 8.560e-07 -6.047 -6.068 -0.020 8.85
Na 6.201e-10
Na+ 6.201e-10 5.920e-10 -9.208 -9.228 -0.020 -1.74
NaOH 4.860e-27 4.862e-27 -26.313 -26.313 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -13.74 -12.17 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -9.88 -9.01 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.829 Seconds.
---------------------------------
Time: 10
Chemistry cell: 4
Grid cell(s) (0-based): 4 24
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 4
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 4. Solution after simulation 1.
Using exchange 4. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
CaX2 1.092e-04 2.184e-04 9.926e-01 -0.079
KX 1.616e-06 1.616e-06 7.344e-03 -0.020
NaX 2.646e-09 2.646e-09 1.203e-05 -0.020
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 5.583e-04 1.113e-04
Cl 1.200e-03 2.393e-04
K 8.262e-05 1.647e-05
Na 6.987e-07 1.393e-07
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.969 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 138
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.758e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = 5.826e-19
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 2.786e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 7
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.707e-08 8.337e-08 -7.060 -7.079 -0.019 0.00
OH- 8.610e-08 8.218e-08 -7.065 -7.085 -0.020 -4.31
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 5.583e-04
Ca+2 5.583e-04 4.654e-04 -3.253 -3.332 -0.079 -18.16
CaOH+ 9.702e-10 9.264e-10 -9.013 -9.033 -0.020 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.146e-03 -2.921 -2.941 -0.020 17.92
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 8.262e-05
K+ 8.262e-05 7.886e-05 -4.083 -4.103 -0.020 8.85
Na 6.987e-07
Na+ 6.987e-07 6.674e-07 -6.156 -6.176 -0.020 -1.74
NaOH 5.481e-24 5.484e-24 -23.261 -23.261 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -10.68 -9.12 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -7.92 -7.04 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.833 Seconds.
---------------------------------
Time: 10
Chemistry cell: 5
Grid cell(s) (0-based): 5 25
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 5
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 5. Solution after simulation 1.
Using exchange 5. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 1.072e-04 1.072e-04 4.871e-01 -0.017
CaX2 5.530e-05 1.106e-04 5.027e-01 -0.066
NaX 2.252e-06 2.252e-06 1.023e-02 -0.017
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.065e-05 2.124e-06
Cl 1.200e-03 2.393e-04
K 1.063e-03 2.120e-04
Na 1.154e-04 2.301e-05
----------------------------Description of solution----------------------------
pH = 7.082 Charge balance
pe = 13.967 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 154
Density (g/cm³) = 0.99831
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.211e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = 3.295e-20
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = 9.176e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 8
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.598e-08 8.288e-08 -7.066 -7.082 -0.016 0.00
OH- 8.596e-08 8.267e-08 -7.066 -7.083 -0.017 -4.32
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 1.065e-05
Ca+2 1.065e-05 9.140e-06 -4.973 -5.039 -0.066 -18.19
CaOH+ 1.902e-11 1.830e-11 -10.721 -10.738 -0.017 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 17.91
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 1.063e-03
K+ 1.063e-03 1.023e-03 -2.973 -2.990 -0.017 8.84
Na 1.154e-04
Na+ 1.154e-04 1.110e-04 -3.938 -3.955 -0.017 -1.75
NaOH 9.175e-22 9.178e-22 -21.037 -21.037 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -8.46 -6.89 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -6.80 -5.93 0.87 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.
------------------------------------
---------------------------------
End of Run after 312.836 Seconds.
---------------------------------
Time: 10
Chemistry cell: 6
Grid cell(s) (0-based): 6 26
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 6
END
--------------------------
Beginning of run as cells.
--------------------------
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 6. Solution after simulation 1.
Using exchange 6. Exchange assemblage after simulation 1.
-----------------------------Exchange composition------------------------------
X 2.200e-04 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 1.815e-04 1.815e-04 8.250e-01 -0.017
NaX 3.850e-05 3.850e-05 1.750e-01 -0.017
CaX2 7.697e-09 1.539e-08 6.997e-05 -0.066
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.499e-10 2.988e-11
Cl 1.200e-03 2.393e-04
K 5.727e-04 1.142e-04
Na 6.273e-04 1.251e-04
----------------------------Description of solution----------------------------
pH = 7.082 Charge balance
pe = 13.967 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 20°C) = 144
Density (g/cm³) = 0.99830
Volume (L) = 0.19976
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.200e-03
Mass of water (kg) = 1.994e-01
Total alkalinity (eq/kg) = 7.031e-19
Temperature (°C) = 20.00
Pressure (atm) = 2.00
Electrical balance (eq) = -7.021e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 6
Total H = 2.213642e+01
Total O = 1.106831e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.595e-08 8.287e-08 -7.066 -7.082 -0.016 0.00
OH- 8.595e-08 8.268e-08 -7.066 -7.083 -0.017 -4.32
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.05
Ca 1.499e-10
Ca+2 1.499e-10 1.287e-10 -9.824 -9.890 -0.066 -18.19
CaOH+ 2.679e-16 2.577e-16 -15.572 -15.589 -0.017 (0)
Cl 1.200e-03
Cl- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 17.91
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.225 -45.225 0.000 28.61
K 5.727e-04
K+ 5.727e-04 5.509e-04 -3.242 -3.259 -0.017 8.84
Na 6.273e-04
Na+ 6.273e-04 6.037e-04 -3.203 -3.219 -0.017 -1.75
NaOH 4.989e-21 4.991e-21 -20.302 -20.302 0.000 (0)
O(0) 5.351e-04
O2 2.675e-04 2.676e-04 -3.573 -3.573 0.000 29.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 2 atm)
H2(g) -42.14 -45.22 -3.09 H2
H2O(g) -1.63 -0.00 1.63 H2O
Halite -7.72 -6.16 1.57 NaCl
O2(g) -0.72 -3.57 -2.85 O2
Sylvite -7.07 -6.20 0.87 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.
------------------------------------
--------------------------------
End of Run after 312.84 Seconds.
--------------------------------
Time: 10
Chemistry cell: 7
Grid cell(s) (0-based): 7 27
------------------------------------
Reading input data for simulation 1.
------------------------------------
RUN_CELLS
-start_time 777600
-time_step 86400
-cells 7
END
--------------------------
Beginning of run as cells.
--------------------------