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Input file: ../examples/ex22
Output file: ex22.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
MEAN_GAMMAS
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with
Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC.
PRINT
warnings 0
SOLUTION 1
GAS_PHASE 1
fixed_volume
CO2(g) 0
H2O(g) 0
REACTION
CO2 1
0 31*1
INCREMENTAL_REACTIONS true
USER_GRAPH 1 Example 22,
-chart_title "CO2 solubility at high pressures, 25 - 100 ºC"
-plot_csv_file co2.dat
-axis_titles "Pressure / atm" "CO2 / (mol/kgw)"
-axis_scale x_axis 0 500
-axis_scale y_axis 0 2
-connect_simulations false
10 graph_x PR_P("CO2(g)")
20 graph_y TOT("C(4)")
-end
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 150 ºC
-chart_title "P-Vm of CO2 gas, data from Michels et al., 1935, 1937"
-plot_csv_file co2_VP.dat
-axis_titles "molar volume of CO2 gas / (L/mol)" "CO2 pressure / atm"
-axis_scale x_axis 0 0.7
-axis_scale y_axis 0 700
-connect_simulations false
10 graph_x gas_vm : graph_y gas_p
END
-----
TITLE
-----
Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with
Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC.
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.007e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 25.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
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
OH- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14
H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.063 -42.063 0.000 30.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.17 -42.06 -2.89 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 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.03 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.80e+02 liters/mole
P * Vm / RT: 0.99951 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) -99.99 0.000e+00 1.000 0.000e+00 0.000e+00 0.000e+00
H2O(g) -1.50 3.143e-02 1.000 0.000e+00 1.285e-03 1.285e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 11.047 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99700
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.006e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 25.00
Pressure (atm) = 0.03
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
Iterations = 13
Total H = 1.110099e+02
Total O = 5.550493e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14
H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 1.141e-39
H2 5.707e-40 5.707e-40 -39.244 -39.244 0.000 28.61
O(0) 2.665e-14
O2 1.332e-14 1.332e-14 -13.875 -13.875 0.000 30.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 0 atm)
H2(g) -36.14 -39.24 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 1.000
O2(g) -10.98 -13.88 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 13.23 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.71e+00 liters/mole
P * Vm / RT: 0.92365 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.12 1.319e+01 0.928 0.000e+00 5.839e-01 5.839e-01
H2O(g) -1.45 3.586e-02 0.878 1.285e-03 1.587e-03 3.014e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.161e-01 4.161e-01
----------------------------Description of solution----------------------------
pH = 3.368 Charge balance
pe = 14.669 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 164
Density (g/cm³) = 1.00156
Volume (L) = 1.01670
Viscosity (mPa s) = 0.91920
Activity of water = 0.993
Ionic strength (mol/kgw) = 4.384e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 4.161e-01
Temperature (°C) = 25.00
Pressure (atm) = 13.23
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36
Total H = 1.110093e+02
Total O = 5.633688e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.384e-04 4.284e-04 -3.358 -3.368 -0.010 0.00
OH- 2.430e-11 2.372e-11 -10.614 -10.625 -0.010 -4.07
H2O 5.551e+01 9.930e-01 1.744 -0.003 0.000 18.06
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.297 -120.297 0.000 35.47
C(4) 4.161e-01
CO2 4.095e-01 4.096e-01 -0.388 -0.388 0.000 34.43
(CO2)2 3.079e-03 3.079e-03 -2.512 -2.512 0.000 68.85
HCO3- 4.384e-04 4.282e-04 -3.358 -3.368 -0.010 24.61
CO3-2 5.227e-11 4.754e-11 -10.282 -10.323 -0.041 -3.86
H(0) 1.176e-39
H2 5.878e-40 5.879e-40 -39.231 -39.231 0.000 28.60
O(0) 2.413e-14
O2 1.206e-14 1.207e-14 -13.919 -13.918 0.000 30.38
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 13 atm)
CH4(g) -117.49 -120.30 -2.81 CH4
CO2(g) 1.09 -0.39 -1.48 CO2 Pressure 13.2 atm, phi 0.928
H2(g) -36.12 -39.23 -3.11 H2
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.878
O2(g) -11.02 -13.92 -2.90 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 25.84 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.99e-01 liters/mole
P * Vm / RT: 0.84394 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.41 2.580e+01 0.862 5.839e-01 1.249e+00 6.656e-01
H2O(g) -1.38 4.125e-02 0.766 1.587e-03 1.998e-03 4.108e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.506e-01 7.505e-01
----------------------------Description of solution----------------------------
pH = 3.241 Charge balance
pe = 14.799 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 216
Density (g/cm³) = 1.00523
Volume (L) = 1.02762
Viscosity (mPa s) = 0.94202
Activity of water = 0.987
Ionic strength (mol/kgw) = 5.901e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 7.506e-01
Temperature (°C) = 25.00
Pressure (atm) = 25.84
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Total H = 1.110084e+02
Total O = 5.700527e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.901e-04 5.746e-04 -3.229 -3.241 -0.012 0.00
OH- 1.829e-11 1.779e-11 -10.738 -10.750 -0.012 -4.02
H2O 5.551e+01 9.874e-01 1.744 -0.006 0.000 18.05
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.071 -120.071 0.000 35.49
C(4) 7.506e-01
CO2 7.304e-01 7.304e-01 -0.136 -0.136 0.000 34.42
(CO2)2 9.792e-03 9.794e-03 -2.009 -2.009 0.000 68.84
HCO3- 5.901e-04 5.742e-04 -3.229 -3.241 -0.012 24.66
CO3-2 5.380e-11 4.823e-11 -10.269 -10.317 -0.047 -3.73
H(0) 1.144e-39
H2 5.721e-40 5.721e-40 -39.243 -39.243 0.000 28.59
O(0) 2.453e-14
O2 1.227e-14 1.227e-14 -13.911 -13.911 0.000 30.36
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 26 atm)
CH4(g) -117.25 -120.07 -2.82 CH4
CO2(g) 1.35 -0.14 -1.48 CO2 Pressure 25.8 atm, phi 0.862
H2(g) -36.13 -39.24 -3.11 H2
H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.0 atm, phi 0.766
O2(g) -11.01 -13.91 -2.91 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 37.31 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.00e-01 liters/mole
P * Vm / RT: 0.76228 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.57 3.726e+01 0.803 1.249e+00 1.998e+00 7.486e-01
H2O(g) -1.32 4.764e-02 0.666 1.998e-03 2.555e-03 5.569e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.002e+00 1.002e+00
----------------------------Description of solution----------------------------
pH = 3.178 Charge balance
pe = 14.836 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 245
Density (g/cm³) = 1.00802
Volume (L) = 1.03574
Viscosity (mPa s) = 0.95902
Activity of water = 0.983
Ionic strength (mol/kgw) = 6.833e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.002e+00
Temperature (°C) = 25.00
Pressure (atm) = 37.31
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Total H = 1.110073e+02
Total O = 5.750746e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.833e-04 6.641e-04 -3.165 -3.178 -0.012 0.00
OH- 1.595e-11 1.548e-11 -10.797 -10.810 -0.013 -3.98
H2O 5.551e+01 9.832e-01 1.744 -0.007 0.000 18.04
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.741 -119.741 0.000 35.51
C(4) 1.002e+00
CO2 9.669e-01 9.670e-01 -0.015 -0.015 0.000 34.42
(CO2)2 1.716e-02 1.717e-02 -1.765 -1.765 0.000 68.83
HCO3- 6.833e-04 6.636e-04 -3.165 -3.178 -0.013 24.70
CO3-2 5.494e-11 4.887e-11 -10.260 -10.311 -0.051 -3.61
H(0) 1.275e-39
H2 6.377e-40 6.378e-40 -39.195 -39.195 0.000 28.59
O(0) 1.910e-14
O2 9.552e-15 9.554e-15 -14.020 -14.020 0.000 30.35
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 37 atm)
CH4(g) -116.92 -119.74 -2.82 CH4
CO2(g) 1.48 -0.01 -1.49 CO2 Pressure 37.3 atm, phi 0.803
H2(g) -36.08 -39.20 -3.12 H2
H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.0 atm, phi 0.666
O2(g) -11.11 -14.02 -2.91 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 47.10 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.54e-01 liters/mole
P * Vm / RT: 0.68101 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.67 4.704e+01 0.753 1.998e+00 2.823e+00 8.252e-01
H2O(g) -1.26 5.498e-02 0.580 2.555e-03 3.300e-03 7.455e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.177e+00 1.177e+00
----------------------------Description of solution----------------------------
pH = 3.142 Charge balance
pe = 14.906 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 263
Density (g/cm³) = 1.01002
Volume (L) = 1.04130
Viscosity (mPa s) = 0.97075
Activity of water = 0.980
Ionic strength (mol/kgw) = 7.422e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.177e+00
Temperature (°C) = 25.00
Pressure (atm) = 47.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 22
Total H = 1.110058e+02
Total O = 5.785627e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.422e-04 7.206e-04 -3.129 -3.142 -0.013 0.00
OH- 1.480e-11 1.435e-11 -10.830 -10.843 -0.013 -3.94
H2O 5.551e+01 9.804e-01 1.744 -0.009 0.000 18.03
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.955 -119.955 0.000 35.52
C(4) 1.177e+00
CO2 1.129e+00 1.129e+00 0.053 0.053 0.000 34.41
(CO2)2 2.341e-02 2.341e-02 -1.631 -1.631 0.000 68.82
HCO3- 7.422e-04 7.200e-04 -3.129 -3.143 -0.013 24.73
CO3-2 5.582e-11 4.942e-11 -10.253 -10.306 -0.053 -3.52
H(0) 1.075e-39
H2 5.374e-40 5.375e-40 -39.270 -39.270 0.000 28.58
O(0) 2.620e-14
O2 1.310e-14 1.310e-14 -13.883 -13.883 0.000 30.33
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 47 atm)
CH4(g) -117.12 -119.95 -2.83 CH4
CO2(g) 1.55 0.05 -1.50 CO2 Pressure 47.0 atm, phi 0.753
H2(g) -36.15 -39.27 -3.12 H2
H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.1 atm, phi 0.580
O2(g) -10.97 -13.88 -2.92 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 54.79 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.69e-01 liters/mole
P * Vm / RT: 0.60260 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.74 5.473e+01 0.713 2.823e+00 3.712e+00 8.887e-01
H2O(g) -1.20 6.307e-02 0.507 3.300e-03 4.278e-03 9.775e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.288e+00 1.288e+00
----------------------------Description of solution----------------------------
pH = 3.122 Charge balance
pe = 14.936 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 273
Density (g/cm³) = 1.01134
Volume (L) = 1.04476
Viscosity (mPa s) = 0.97819
Activity of water = 0.979
Ionic strength (mol/kgw) = 7.783e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.288e+00
Temperature (°C) = 25.00
Pressure (atm) = 54.79
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.110039e+02
Total O = 5.807783e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.783e-04 7.552e-04 -3.109 -3.122 -0.013 0.00
OH- 1.421e-11 1.376e-11 -10.848 -10.861 -0.014 -3.91
H2O 5.551e+01 9.786e-01 1.744 -0.009 0.000 18.03
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.002 -120.002 0.000 35.53
C(4) 1.288e+00
CO2 1.232e+00 1.232e+00 0.090 0.091 0.000 34.41
(CO2)2 2.784e-02 2.785e-02 -1.555 -1.555 0.000 68.82
HCO3- 7.783e-04 7.545e-04 -3.109 -3.122 -0.014 24.76
CO3-2 5.646e-11 4.985e-11 -10.248 -10.302 -0.054 -3.44
H(0) 1.017e-39
H2 5.084e-40 5.085e-40 -39.294 -39.294 0.000 28.58
O(0) 2.870e-14
O2 1.435e-14 1.435e-14 -13.843 -13.843 0.000 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 55 atm)
CH4(g) -117.17 -120.00 -2.84 CH4
CO2(g) 1.59 0.09 -1.50 CO2 Pressure 54.7 atm, phi 0.713
H2(g) -36.17 -39.29 -3.13 H2
H2O(g) -1.50 -0.01 1.49 H2O Pressure 0.1 atm, phi 0.507
O2(g) -10.92 -13.84 -2.92 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 60.25 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.15e-01 liters/mole
P * Vm / RT: 0.52914 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.78 6.018e+01 0.685 3.712e+00 4.648e+00 9.362e-01
H2O(g) -1.15 7.157e-02 0.448 4.278e-03 5.528e-03 1.251e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.352e+00 1.352e+00
----------------------------Description of solution----------------------------
pH = 3.111 Charge balance
pe = 14.941 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 279
Density (g/cm³) = 1.01215
Volume (L) = 1.04668
Viscosity (mPa s) = 0.98243
Activity of water = 0.978
Ionic strength (mol/kgw) = 7.989e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.352e+00
Temperature (°C) = 25.00
Pressure (atm) = 60.25
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 33
Total H = 1.110014e+02
Total O = 5.820425e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.989e-04 7.748e-04 -3.098 -3.111 -0.013 0.00
OH- 1.390e-11 1.347e-11 -10.857 -10.871 -0.014 -3.89
H2O 5.551e+01 9.775e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.937 -119.937 0.000 35.54
C(4) 1.352e+00
CO2 1.290e+00 1.290e+00 0.111 0.111 0.000 34.40
(CO2)2 3.055e-02 3.055e-02 -1.515 -1.515 0.000 68.81
HCO3- 7.989e-04 7.741e-04 -3.098 -3.111 -0.014 24.77
CO3-2 5.690e-11 5.016e-11 -10.245 -10.300 -0.055 -3.39
H(0) 1.038e-39
H2 5.192e-40 5.192e-40 -39.285 -39.285 0.000 28.58
O(0) 2.715e-14
O2 1.358e-14 1.358e-14 -13.867 -13.867 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 60 atm)
CH4(g) -117.10 -119.94 -2.84 CH4
CO2(g) 1.62 0.11 -1.50 CO2 Pressure 60.2 atm, phi 0.685
H2(g) -36.15 -39.28 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.448
O2(g) -10.94 -13.87 -2.92 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 63.57 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.78e-01 liters/mole
P * Vm / RT: 0.46202 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.80 6.349e+01 0.667 4.648e+00 5.617e+00 9.684e-01
H2O(g) -1.10 8.014e-02 0.401 5.528e-03 7.089e-03 1.561e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.384e+00 1.383e+00
----------------------------Description of solution----------------------------
pH = 3.105 Charge balance
pe = 14.961 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 282
Density (g/cm³) = 1.01257
Volume (L) = 1.04759
Viscosity (mPa s) = 0.98452
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.092e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.384e+00
Temperature (°C) = 25.00
Pressure (atm) = 63.57
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32
Total H = 1.109983e+02
Total O = 5.826587e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.092e-04 7.847e-04 -3.092 -3.105 -0.013 0.00
OH- 1.376e-11 1.333e-11 -10.861 -10.875 -0.014 -3.88
H2O 5.551e+01 9.770e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.043 -120.043 0.000 35.54
C(4) 1.384e+00
CO2 1.319e+00 1.319e+00 0.120 0.120 0.000 34.40
(CO2)2 3.193e-02 3.194e-02 -1.496 -1.496 0.000 68.81
HCO3- 8.092e-04 7.839e-04 -3.092 -3.106 -0.014 24.78
CO3-2 5.716e-11 5.035e-11 -10.243 -10.298 -0.055 -3.36
H(0) 9.686e-40
H2 4.843e-40 4.844e-40 -39.315 -39.315 0.000 28.58
O(0) 3.095e-14
O2 1.548e-14 1.548e-14 -13.810 -13.810 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 64 atm)
CH4(g) -117.20 -120.04 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 63.5 atm, phi 0.667
H2(g) -36.18 -39.31 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.401
O2(g) -10.88 -13.81 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.04 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.51e-01 liters/mole
P * Vm / RT: 0.40194 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.495e+01 0.658 5.617e+00 6.605e+00 9.885e-01
H2O(g) -1.05 8.845e-02 0.364 7.089e-03 8.995e-03 1.905e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.395e+00 1.395e+00
----------------------------Description of solution----------------------------
pH = 3.103 Charge balance
pe = 14.949 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01273
Volume (L) = 1.04788
Viscosity (mPa s) = 0.98529
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.131e-04
Mass of water (kg) = 9.998e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.395e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.04
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 40
Total H = 1.109944e+02
Total O = 5.828699e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.131e-04 7.884e-04 -3.090 -3.103 -0.013 0.00
OH- 1.372e-11 1.328e-11 -10.863 -10.877 -0.014 -3.87
H2O 5.551e+01 9.768e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.926 -119.926 0.000 35.54
C(4) 1.395e+00
CO2 1.329e+00 1.330e+00 0.124 0.124 0.000 34.40
(CO2)2 3.244e-02 3.245e-02 -1.489 -1.489 0.000 68.81
HCO3- 8.131e-04 7.876e-04 -3.090 -3.104 -0.014 24.79
CO3-2 5.727e-11 5.043e-11 -10.242 -10.297 -0.055 -3.35
H(0) 1.032e-39
H2 5.162e-40 5.163e-40 -39.287 -39.287 0.000 28.58
O(0) 2.715e-14
O2 1.358e-14 1.358e-14 -13.867 -13.867 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -117.08 -119.93 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.0 atm, phi 0.658
H2(g) -36.15 -39.29 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.364
O2(g) -10.94 -13.87 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.20 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.31e-01 liters/mole
P * Vm / RT: 0.34993 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.510e+01 0.657 6.605e+00 7.604e+00 9.990e-01
H2O(g) -1.02 9.646e-02 0.334 8.995e-03 1.127e-02 2.272e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.396e+00 1.396e+00
----------------------------Description of solution----------------------------
pH = 3.103 Charge balance
pe = 14.917 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01275
Volume (L) = 1.04787
Viscosity (mPa s) = 0.98535
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.134e-04
Mass of water (kg) = 9.998e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.396e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.20
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 44
Total H = 1.109899e+02
Total O = 5.828669e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.134e-04 7.888e-04 -3.090 -3.103 -0.013 0.00
OH- 1.371e-11 1.328e-11 -10.863 -10.877 -0.014 -3.87
H2O 5.551e+01 9.768e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.669 -119.669 0.000 35.54
C(4) 1.396e+00
CO2 1.330e+00 1.331e+00 0.124 0.124 0.000 34.40
(CO2)2 3.249e-02 3.250e-02 -1.488 -1.488 0.000 68.81
HCO3- 8.134e-04 7.880e-04 -3.090 -3.103 -0.014 24.79
CO3-2 5.728e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 1.197e-39
H2 5.985e-40 5.986e-40 -39.223 -39.223 0.000 28.58
O(0) 2.019e-14
O2 1.010e-14 1.010e-14 -13.996 -13.996 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -116.83 -119.67 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.1 atm, phi 0.657
H2(g) -36.09 -39.22 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.334
O2(g) -11.07 -14.00 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.19 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.16e-01 liters/mole
P * Vm / RT: 0.30913 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.508e+01 0.657 7.604e+00 8.605e+00 1.001e+00
H2O(g) -0.98 1.051e-01 0.306 1.127e-02 1.389e-02 2.628e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.396e+00 1.395e+00
----------------------------Description of solution----------------------------
pH = 3.103 Charge balance
pe = 14.892 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01275
Volume (L) = 1.04780
Viscosity (mPa s) = 0.98532
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.133e-04
Mass of water (kg) = 9.997e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.396e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.19
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.109846e+02
Total O = 5.828280e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.133e-04 7.886e-04 -3.090 -3.103 -0.013 0.00
OH- 1.371e-11 1.328e-11 -10.863 -10.877 -0.014 -3.87
H2O 5.551e+01 9.768e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.469 -119.469 0.000 35.54
C(4) 1.396e+00
CO2 1.330e+00 1.330e+00 0.124 0.124 0.000 34.40
(CO2)2 3.246e-02 3.247e-02 -1.489 -1.489 0.000 68.81
HCO3- 8.133e-04 7.878e-04 -3.090 -3.104 -0.014 24.79
CO3-2 5.728e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 1.343e-39
H2 6.715e-40 6.716e-40 -39.173 -39.173 0.000 28.58
O(0) 1.604e-14
O2 8.019e-15 8.021e-15 -14.096 -14.096 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -116.63 -119.47 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.1 atm, phi 0.657
H2(g) -36.04 -39.17 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.306
O2(g) -11.17 -14.10 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.17 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.04e-01 liters/mole
P * Vm / RT: 0.27680 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.506e+01 0.657 8.605e+00 9.606e+00 1.001e+00
H2O(g) -0.94 1.145e-01 0.281 1.389e-02 1.691e-02 3.018e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.394e+00 1.394e+00
----------------------------Description of solution----------------------------
pH = 3.103 Charge balance
pe = 14.826 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01273
Volume (L) = 1.04770
Viscosity (mPa s) = 0.98522
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.129e-04
Mass of water (kg) = 9.997e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.394e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.17
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 46
Total H = 1.109786e+02
Total O = 5.827687e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.129e-04 7.882e-04 -3.090 -3.103 -0.013 0.00
OH- 1.372e-11 1.328e-11 -10.863 -10.877 -0.014 -3.87
H2O 5.551e+01 9.768e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -118.942 -118.941 0.000 35.54
C(4) 1.394e+00
CO2 1.329e+00 1.329e+00 0.123 0.123 0.000 34.40
(CO2)2 3.240e-02 3.241e-02 -1.489 -1.489 0.000 68.81
HCO3- 8.129e-04 7.875e-04 -3.090 -3.104 -0.014 24.79
CO3-2 5.727e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 1.820e-39
H2 9.101e-40 9.102e-40 -39.041 -39.041 0.000 28.58
O(0) 8.733e-15
O2 4.366e-15 4.367e-15 -14.360 -14.360 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -116.10 -118.94 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.1 atm, phi 0.657
H2(g) -35.91 -39.04 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.281
O2(g) -11.43 -14.36 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.15 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.41e-02 liters/mole
P * Vm / RT: 0.25055 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.503e+01 0.656 9.606e+00 1.061e+01 1.002e+00
H2O(g) -0.90 1.248e-01 0.258 1.691e-02 2.036e-02 3.449e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.392e+00 1.392e+00
----------------------------Description of solution----------------------------
pH = 3.104 Charge balance
pe = 2.525 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01271
Volume (L) = 1.04756
Viscosity (mPa s) = 0.98509
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.123e-04
Mass of water (kg) = 9.996e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.392e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.15
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 65
Total H = 1.109717e+02
Total O = 5.826914e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.123e-04 7.877e-04 -3.090 -3.104 -0.013 0.00
OH- 1.373e-11 1.329e-11 -10.862 -10.876 -0.014 -3.87
H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.02
C(-4) 2.885e-21
CH4 2.885e-21 2.886e-21 -20.540 -20.540 0.000 35.54
C(4) 1.392e+00
CO2 1.327e+00 1.327e+00 0.123 0.123 0.000 34.40
(CO2)2 3.231e-02 3.232e-02 -1.491 -1.491 0.000 68.81
HCO3- 8.123e-04 7.869e-04 -3.090 -3.104 -0.014 24.79
CO3-2 5.727e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 7.256e-15
H2 3.628e-15 3.629e-15 -14.440 -14.440 0.000 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.561 -63.561 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -17.70 -20.54 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.0 atm, phi 0.656
H2(g) -11.31 -14.44 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.258
O2(g) -60.63 -63.56 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.14 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.59e-02 liters/mole
P * Vm / RT: 0.22881 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.500e+01 0.655 1.061e+01 1.161e+01 1.002e+00
H2O(g) -0.87 1.359e-01 0.237 2.036e-02 2.428e-02 3.919e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.390e+00 1.389e+00
----------------------------Description of solution----------------------------
pH = 3.104 Charge balance
pe = 14.801 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01269
Volume (L) = 1.04741
Viscosity (mPa s) = 0.98492
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.116e-04
Mass of water (kg) = 9.995e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.390e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.14
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 55
Total H = 1.109639e+02
Total O = 5.826024e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.116e-04 7.870e-04 -3.091 -3.104 -0.013 0.00
OH- 1.374e-11 1.331e-11 -10.862 -10.876 -0.014 -3.87
H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -118.750 -118.750 0.000 35.54
C(4) 1.390e+00
CO2 1.325e+00 1.325e+00 0.122 0.122 0.000 34.40
(CO2)2 3.221e-02 3.221e-02 -1.492 -1.492 0.000 68.81
HCO3- 8.116e-04 7.863e-04 -3.091 -3.104 -0.014 24.79
CO3-2 5.727e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 2.034e-39
H2 1.017e-39 1.017e-39 -38.993 -38.993 0.000 28.58
O(0) 6.992e-15
O2 3.496e-15 3.497e-15 -14.456 -14.456 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -115.91 -118.75 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.0 atm, phi 0.655
H2(g) -35.86 -38.99 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.237
O2(g) -11.53 -14.46 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.12 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.91e-02 liters/mole
P * Vm / RT: 0.21053 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.497e+01 0.655 1.161e+01 1.261e+01 1.002e+00
H2O(g) -0.83 1.479e-01 0.218 2.428e-02 2.871e-02 4.427e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.387e+00 1.387e+00
----------------------------Description of solution----------------------------
pH = 3.104 Charge balance
pe = 14.700 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01267
Volume (L) = 1.04724
Viscosity (mPa s) = 0.98477
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.110e-04
Mass of water (kg) = 9.995e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.387e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.12
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 48
Total H = 1.109550e+02
Total O = 5.825096e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.110e-04 7.864e-04 -3.091 -3.104 -0.013 0.00
OH- 1.375e-11 1.332e-11 -10.862 -10.876 -0.014 -3.87
H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -117.944 -117.943 0.000 35.54
C(4) 1.387e+00
CO2 1.322e+00 1.323e+00 0.121 0.121 0.000 34.40
(CO2)2 3.210e-02 3.211e-02 -1.493 -1.493 0.000 68.81
HCO3- 8.110e-04 7.856e-04 -3.091 -3.105 -0.014 24.79
CO3-2 5.726e-11 5.044e-11 -10.242 -10.297 -0.055 -3.34
H(0) 3.237e-39
H2 1.618e-39 1.619e-39 -38.791 -38.791 0.000 28.58
O(0) 2.762e-15
O2 1.381e-15 1.381e-15 -14.860 -14.860 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -115.10 -117.94 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 65.0 atm, phi 0.655
H2(g) -35.66 -38.79 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.1 atm, phi 0.218
O2(g) -11.93 -14.86 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.10 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.33e-02 liters/mole
P * Vm / RT: 0.19494 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.494e+01 0.654 1.261e+01 1.362e+01 1.002e+00
H2O(g) -0.79 1.606e-01 0.200 2.871e-02 3.368e-02 4.970e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.386e+00 1.385e+00
----------------------------Description of solution----------------------------
pH = 3.105 Charge balance
pe = 14.862 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 283
Density (g/cm³) = 1.01265
Volume (L) = 1.04709
Viscosity (mPa s) = 0.98465
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.105e-04
Mass of water (kg) = 9.994e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.386e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 46
Total H = 1.109451e+02
Total O = 5.824211e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.105e-04 7.859e-04 -3.091 -3.105 -0.013 0.00
OH- 1.376e-11 1.332e-11 -10.861 -10.875 -0.014 -3.87
H2O 5.551e+01 9.770e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.248 -119.248 0.000 35.54
C(4) 1.386e+00
CO2 1.321e+00 1.321e+00 0.121 0.121 0.000 34.40
(CO2)2 3.202e-02 3.203e-02 -1.495 -1.494 0.000 68.81
HCO3- 8.105e-04 7.852e-04 -3.091 -3.105 -0.014 24.79
CO3-2 5.726e-11 5.043e-11 -10.242 -10.297 -0.055 -3.35
H(0) 1.528e-39
H2 7.642e-40 7.643e-40 -39.117 -39.117 0.000 28.58
O(0) 1.239e-14
O2 6.195e-15 6.196e-15 -14.208 -14.208 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -116.41 -119.25 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 64.9 atm, phi 0.654
H2(g) -35.98 -39.12 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.200
O2(g) -11.28 -14.21 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 65.07 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.82e-02 liters/mole
P * Vm / RT: 0.18149 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.81 6.490e+01 0.654 1.362e+01 1.462e+01 1.001e+00
H2O(g) -0.76 1.742e-01 0.185 3.368e-02 3.922e-02 5.546e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.385e+00 1.384e+00
----------------------------Description of solution----------------------------
pH = 3.105 Charge balance
pe = 14.903 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 282
Density (g/cm³) = 1.01265
Volume (L) = 1.04696
Viscosity (mPa s) = 0.98459
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.102e-04
Mass of water (kg) = 9.993e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.385e+00
Temperature (°C) = 25.00
Pressure (atm) = 65.07
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32
Total H = 1.109340e+02
Total O = 5.823451e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.102e-04 7.857e-04 -3.091 -3.105 -0.013 0.00
OH- 1.377e-11 1.333e-11 -10.861 -10.875 -0.014 -3.87
H2O 5.551e+01 9.770e-01 1.744 -0.010 0.000 18.02
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.576 -119.576 0.000 35.54
C(4) 1.385e+00
CO2 1.320e+00 1.320e+00 0.121 0.121 0.000 34.40
(CO2)2 3.198e-02 3.199e-02 -1.495 -1.495 0.000 68.81
HCO3- 8.102e-04 7.849e-04 -3.091 -3.105 -0.014 24.79
CO3-2 5.726e-11 5.043e-11 -10.242 -10.297 -0.055 -3.35
H(0) 1.266e-39
H2 6.328e-40 6.330e-40 -39.199 -39.199 0.000 28.58
O(0) 1.807e-14
O2 9.035e-15 9.036e-15 -14.044 -14.044 0.000 30.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 65 atm)
CH4(g) -116.73 -119.58 -2.84 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 64.9 atm, phi 0.654
H2(g) -36.07 -39.20 -3.13 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.185
O2(g) -11.12 -14.04 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 70.42 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.39e-02 liters/mole
P * Vm / RT: 0.18390 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.85 7.022e+01 0.613 1.462e+01 1.561e+01 9.902e-01
H2O(g) -0.69 2.026e-01 0.159 3.922e-02 4.502e-02 5.801e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.395e+00 1.394e+00
----------------------------Description of solution----------------------------
pH = 3.102 Charge balance
pe = 14.914 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 284
Density (g/cm³) = 1.01297
Volume (L) = 1.04694
Viscosity (mPa s) = 0.98520
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.154e-04
Mass of water (kg) = 9.992e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.395e+00
Temperature (°C) = 25.00
Pressure (atm) = 70.42
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 38
Total H = 1.109224e+02
Total O = 5.824824e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.154e-04 7.907e-04 -3.089 -3.102 -0.013 0.00
OH- 1.374e-11 1.331e-11 -10.862 -10.876 -0.014 -3.86
H2O 5.551e+01 9.768e-01 1.744 -0.010 0.000 18.01
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.639 -119.639 0.000 35.55
C(4) 1.395e+00
CO2 1.329e+00 1.329e+00 0.124 0.124 0.000 34.40
(CO2)2 3.242e-02 3.243e-02 -1.489 -1.489 0.000 68.80
HCO3- 8.154e-04 7.899e-04 -3.089 -3.102 -0.014 24.81
CO3-2 5.762e-11 5.074e-11 -10.239 -10.295 -0.055 -3.30
H(0) 1.213e-39
H2 6.066e-40 6.067e-40 -39.217 -39.217 0.000 28.57
O(0) 1.944e-14
O2 9.721e-15 9.723e-15 -14.012 -14.012 0.000 30.30
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 70 atm)
CH4(g) -116.79 -119.64 -2.85 CH4
CO2(g) 1.63 0.12 -1.51 CO2 Pressure 70.2 atm, phi 0.613
H2(g) -36.08 -39.22 -3.14 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.159
O2(g) -11.08 -14.01 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 80.18 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.01e-02 liters/mole
P * Vm / RT: 0.19694 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.90 7.994e+01 0.552 1.561e+01 1.659e+01 9.840e-01
H2O(g) -0.61 2.464e-01 0.132 4.502e-02 5.114e-02 6.118e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.411e+00 1.410e+00
----------------------------Description of solution----------------------------
pH = 3.097 Charge balance
pe = 14.952 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 287
Density (g/cm³) = 1.01354
Volume (L) = 1.04694
Viscosity (mPa s) = 0.98618
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.244e-04
Mass of water (kg) = 9.991e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.411e+00
Temperature (°C) = 25.00
Pressure (atm) = 80.18
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 44
Total H = 1.109101e+02
Total O = 5.827411e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.244e-04 7.993e-04 -3.084 -3.097 -0.013 0.00
OH- 1.371e-11 1.327e-11 -10.863 -10.877 -0.014 -3.82
H2O 5.551e+01 9.766e-01 1.744 -0.010 0.000 18.01
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.907 -119.907 0.000 35.56
C(4) 1.411e+00
CO2 1.344e+00 1.344e+00 0.128 0.128 0.000 34.40
(CO2)2 3.314e-02 3.315e-02 -1.480 -1.480 0.000 68.79
HCO3- 8.244e-04 7.985e-04 -3.084 -3.098 -0.014 24.84
CO3-2 5.830e-11 5.130e-11 -10.234 -10.290 -0.056 -3.21
H(0) 1.029e-39
H2 5.143e-40 5.144e-40 -39.289 -39.289 0.000 28.57
O(0) 2.648e-14
O2 1.324e-14 1.324e-14 -13.878 -13.878 0.000 30.29
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 80 atm)
CH4(g) -117.06 -119.91 -2.85 CH4
CO2(g) 1.64 0.13 -1.52 CO2 Pressure 79.9 atm, phi 0.552
H2(g) -36.15 -39.29 -3.14 H2
H2O(g) -1.49 -0.01 1.48 H2O Pressure 0.2 atm, phi 0.132
O2(g) -10.94 -13.88 -2.93 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 94.41 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.67e-02 liters/mole
P * Vm / RT: 0.21892 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.97 9.411e+01 0.485 1.659e+01 1.757e+01 9.794e-01
H2O(g) -0.51 3.084e-01 0.107 5.114e-02 5.758e-02 6.433e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.432e+00 1.430e+00
----------------------------Description of solution----------------------------
pH = 3.091 Charge balance
pe = 14.922 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 291
Density (g/cm³) = 1.01434
Volume (L) = 1.04689
Viscosity (mPa s) = 0.98743
Activity of water = 0.976
Ionic strength (mol/kgw) = 8.368e-04
Mass of water (kg) = 9.989e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.432e+00
Temperature (°C) = 25.00
Pressure (atm) = 94.41
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 49
Total H = 1.108973e+02
Total O = 5.830896e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.368e-04 8.111e-04 -3.077 -3.091 -0.014 0.00
OH- 1.368e-11 1.324e-11 -10.864 -10.878 -0.014 -3.77
H2O 5.551e+01 9.762e-01 1.744 -0.010 0.000 17.99
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -119.622 -119.622 0.000 35.58
C(4) 1.432e+00
CO2 1.363e+00 1.363e+00 0.134 0.134 0.000 34.39
(CO2)2 3.408e-02 3.409e-02 -1.467 -1.467 0.000 68.78
HCO3- 8.368e-04 8.103e-04 -3.077 -3.091 -0.014 24.89
CO3-2 5.929e-11 5.213e-11 -10.227 -10.283 -0.056 -3.08
H(0) 1.194e-39
H2 5.970e-40 5.972e-40 -39.224 -39.224 0.000 28.56
O(0) 1.906e-14
O2 9.529e-15 9.531e-15 -14.021 -14.021 0.000 30.26
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 94 atm)
CH4(g) -116.76 -119.62 -2.86 CH4
CO2(g) 1.66 0.13 -1.53 CO2 Pressure 94.1 atm, phi 0.485
H2(g) -36.08 -39.22 -3.15 H2
H2O(g) -1.48 -0.01 1.47 H2O Pressure 0.3 atm, phi 0.107
O2(g) -11.08 -14.02 -2.94 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 114.16 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.37e-02 liters/mole
P * Vm / RT: 0.25075 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.06 1.138e+02 0.420 1.757e+01 1.854e+01 9.746e-01
H2O(g) -0.40 3.942e-01 0.085 5.758e-02 6.425e-02 6.677e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.457e+00 1.456e+00
----------------------------Description of solution----------------------------
pH = 3.083 Charge balance
pe = 15.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 297
Density (g/cm³) = 1.01543
Volume (L) = 1.04675
Viscosity (mPa s) = 0.98895
Activity of water = 0.976
Ionic strength (mol/kgw) = 8.532e-04
Mass of water (kg) = 9.988e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.457e+00
Temperature (°C) = 25.00
Pressure (atm) = 114.16
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 61
Total H = 1.108839e+02
Total O = 5.835300e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.532e-04 8.268e-04 -3.069 -3.083 -0.014 0.00
OH- 1.365e-11 1.321e-11 -10.865 -10.879 -0.014 -3.70
H2O 5.551e+01 9.758e-01 1.744 -0.011 0.000 17.98
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.184 -120.184 0.000 35.61
C(4) 1.457e+00
CO2 1.386e+00 1.386e+00 0.142 0.142 0.000 34.38
(CO2)2 3.526e-02 3.526e-02 -1.453 -1.453 0.000 68.76
HCO3- 8.532e-04 8.259e-04 -3.069 -3.083 -0.014 24.95
CO3-2 6.067e-11 5.329e-11 -10.217 -10.273 -0.056 -2.90
H(0) 8.470e-40
H2 4.235e-40 4.236e-40 -39.373 -39.373 0.000 28.55
O(0) 3.631e-14
O2 1.815e-14 1.816e-14 -13.741 -13.741 0.000 30.24
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 114 atm)
CH4(g) -117.31 -120.18 -2.87 CH4
CO2(g) 1.68 0.14 -1.54 CO2 Pressure 113.8 atm, phi 0.420
H2(g) -36.21 -39.37 -3.16 H2
H2O(g) -1.48 -0.01 1.47 H2O Pressure 0.4 atm, phi 0.085
O2(g) -10.79 -13.74 -2.95 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 140.69 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.11e-02 liters/mole
P * Vm / RT: 0.29360 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.15 1.402e+02 0.361 1.854e+01 1.951e+01 9.699e-01
H2O(g) -0.29 5.106e-01 0.066 6.425e-02 7.108e-02 6.829e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.488e+00 1.486e+00
----------------------------Description of solution----------------------------
pH = 3.072 Charge balance
pe = 15.013 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 305
Density (g/cm³) = 1.01684
Volume (L) = 1.04648
Viscosity (mPa s) = 0.99076
Activity of water = 0.975
Ionic strength (mol/kgw) = 8.742e-04
Mass of water (kg) = 9.987e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.488e+00
Temperature (°C) = 25.00
Pressure (atm) = 140.69
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 74
Total H = 1.108703e+02
Total O = 5.840641e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.742e-04 8.470e-04 -3.058 -3.072 -0.014 0.00
OH- 1.363e-11 1.318e-11 -10.866 -10.880 -0.014 -3.61
H2O 5.551e+01 9.753e-01 1.744 -0.011 0.000 17.96
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -120.214 -120.214 0.000 35.64
C(4) 1.488e+00
CO2 1.413e+00 1.414e+00 0.150 0.150 0.000 34.37
(CO2)2 3.667e-02 3.668e-02 -1.436 -1.436 0.000 68.73
HCO3- 8.742e-04 8.461e-04 -3.058 -3.073 -0.014 25.03
CO3-2 6.256e-11 5.487e-11 -10.204 -10.261 -0.057 -2.66
H(0) 8.114e-40
H2 4.057e-40 4.058e-40 -39.392 -39.392 0.000 28.54
O(0) 3.739e-14
O2 1.869e-14 1.870e-14 -13.728 -13.728 0.000 30.20
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 141 atm)
CH4(g) -117.32 -120.21 -2.89 CH4
CO2(g) 1.70 0.15 -1.55 CO2 Pressure 140.2 atm, phi 0.361
H2(g) -36.22 -39.39 -3.17 H2
H2O(g) -1.47 -0.01 1.46 H2O Pressure 0.5 atm, phi 0.066
O2(g) -10.76 -13.73 -2.97 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 175.50 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.86e-02 liters/mole
P * Vm / RT: 0.34894 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.24 1.748e+02 0.310 1.951e+01 2.048e+01 9.651e-01
H2O(g) -0.18 6.655e-01 0.052 7.108e-02 7.795e-02 6.869e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.523e+00 1.521e+00
----------------------------Description of solution----------------------------
pH = 3.059 Charge balance
pe = 16.015 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 314
Density (g/cm³) = 1.01866
Volume (L) = 1.04600
Viscosity (mPa s) = 0.99284
Activity of water = 0.975
Ionic strength (mol/kgw) = 9.010e-04
Mass of water (kg) = 9.986e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.523e+00
Temperature (°C) = 25.00
Pressure (atm) = 175.50
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 40 (141 overall)
Total H = 1.108565e+02
Total O = 5.846928e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.010e-04 8.725e-04 -3.045 -3.059 -0.014 0.00
OH- 1.363e-11 1.317e-11 -10.866 -10.880 -0.015 -3.49
H2O 5.551e+01 9.748e-01 1.744 -0.011 0.000 17.93
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.139 -128.139 0.000 35.68
C(4) 1.523e+00
CO2 1.445e+00 1.445e+00 0.160 0.160 0.000 34.35
(CO2)2 3.833e-02 3.834e-02 -1.416 -1.416 0.000 68.70
HCO3- 9.010e-04 8.715e-04 -3.045 -3.060 -0.014 25.14
CO3-2 6.509e-11 5.700e-11 -10.186 -10.244 -0.058 -2.36
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.388 -41.387 0.000 28.53
O(0) 3.404e-10
O2 1.702e-10 1.702e-10 -9.769 -9.769 0.000 30.15
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 176 atm)
CH4(g) -125.23 -128.14 -2.91 CH4
CO2(g) 1.73 0.16 -1.57 CO2 Pressure 174.8 atm, phi 0.310
H2(g) -38.20 -41.39 -3.19 H2
H2O(g) -1.46 -0.01 1.45 H2O Pressure 0.7 atm, phi 0.052
O2(g) -6.78 -9.77 -2.99 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 24.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 220.47 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.65e-02 liters/mole
P * Vm / RT: 0.41865 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.34 2.196e+02 0.270 2.048e+01 2.144e+01 9.605e-01
H2O(g) -0.06 8.678e-01 0.041 7.795e-02 8.472e-02 6.772e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.562e+00 1.560e+00
----------------------------Description of solution----------------------------
pH = 3.044 Charge balance
pe = 16.030 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 326
Density (g/cm³) = 1.02093
Volume (L) = 1.04525
Viscosity (mPa s) = 0.99523
Activity of water = 0.974
Ionic strength (mol/kgw) = 9.345e-04
Mass of water (kg) = 9.985e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.562e+00
Temperature (°C) = 25.00
Pressure (atm) = 220.47
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35 (136 overall)
Total H = 1.108430e+02
Total O = 5.854160e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.345e-04 9.045e-04 -3.029 -3.044 -0.014 0.00
OH- 1.365e-11 1.319e-11 -10.865 -10.880 -0.015 -3.34
H2O 5.551e+01 9.741e-01 1.744 -0.011 0.000 17.89
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.150 -128.150 0.000 35.73
C(4) 1.562e+00
CO2 1.481e+00 1.481e+00 0.171 0.171 0.000 34.33
(CO2)2 4.026e-02 4.027e-02 -1.395 -1.395 0.000 68.66
HCO3- 9.345e-04 9.035e-04 -3.029 -3.044 -0.015 25.28
CO3-2 6.845e-11 5.982e-11 -10.165 -10.223 -0.059 -1.98
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.408 -41.408 0.000 28.51
O(0) 3.405e-10
O2 1.702e-10 1.703e-10 -9.769 -9.769 0.000 30.09
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 220 atm)
CH4(g) -125.21 -128.15 -2.94 CH4
CO2(g) 1.77 0.17 -1.60 CO2 Pressure 219.6 atm, phi 0.270
H2(g) -38.20 -41.41 -3.21 H2
H2O(g) -1.44 -0.01 1.43 H2O Pressure 0.9 atm, phi 0.041
O2(g) -6.76 -9.77 -3.01 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 25.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 277.89 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.45e-02 liters/mole
P * Vm / RT: 0.50510 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.44 2.768e+02 0.238 2.144e+01 2.240e+01 9.560e-01
H2O(g) 0.05 1.127e+00 0.033 8.472e-02 9.124e-02 6.514e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.607e+00 1.604e+00
----------------------------Description of solution----------------------------
pH = 3.025 Charge balance
pe = 16.047 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 341
Density (g/cm³) = 1.02376
Volume (L) = 1.04415
Viscosity (mPa s) = 0.99796
Activity of water = 0.973
Ionic strength (mol/kgw) = 9.763e-04
Mass of water (kg) = 9.983e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.607e+00
Temperature (°C) = 25.00
Pressure (atm) = 277.89
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35 (136 overall)
Total H = 1.108300e+02
Total O = 5.862318e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.763e-04 9.444e-04 -3.010 -3.025 -0.014 0.00
OH- 1.370e-11 1.323e-11 -10.863 -10.878 -0.015 -3.15
H2O 5.551e+01 9.734e-01 1.744 -0.012 0.000 17.85
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.166 -128.165 0.000 35.80
C(4) 1.607e+00
CO2 1.521e+00 1.521e+00 0.182 0.182 0.000 34.30
(CO2)2 4.246e-02 4.247e-02 -1.372 -1.372 0.000 68.61
HCO3- 9.763e-04 9.433e-04 -3.010 -3.025 -0.015 25.45
CO3-2 7.290e-11 6.355e-11 -10.137 -10.197 -0.060 -1.51
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.435 -41.435 0.000 28.48
O(0) 3.405e-10
O2 1.702e-10 1.703e-10 -9.769 -9.769 0.000 30.02
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 278 atm)
CH4(g) -125.19 -128.17 -2.98 CH4
CO2(g) 1.82 0.18 -1.64 CO2 Pressure 276.8 atm, phi 0.238
H2(g) -38.19 -41.43 -3.24 H2
H2O(g) -1.43 -0.01 1.42 H2O Pressure 1.1 atm, phi 0.033
O2(g) -6.73 -9.77 -3.04 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 26.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 350.70 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.27e-02 liters/mole
P * Vm / RT: 0.61139 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.54 3.492e+02 0.215 2.240e+01 2.335e+01 9.518e-01
H2O(g) 0.16 1.455e+00 0.027 9.124e-02 9.730e-02 6.064e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.655e+00 1.652e+00
----------------------------Description of solution----------------------------
pH = 3.003 Charge balance
pe = 16.068 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 360
Density (g/cm³) = 1.02723
Volume (L) = 1.04258
Viscosity (mPa s) = 1.00108
Activity of water = 0.973
Ionic strength (mol/kgw) = 1.028e-03
Mass of water (kg) = 9.982e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.655e+00
Temperature (°C) = 25.00
Pressure (atm) = 350.70
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.108178e+02
Total O = 5.871354e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.028e-03 9.942e-04 -2.988 -3.003 -0.015 0.00
OH- 1.380e-11 1.332e-11 -10.860 -10.876 -0.016 -2.93
H2O 5.551e+01 9.726e-01 1.744 -0.012 0.000 17.79
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.188 -128.188 0.000 35.87
C(4) 1.655e+00
CO2 1.564e+00 1.565e+00 0.194 0.194 0.000 34.27
(CO2)2 4.492e-02 4.493e-02 -1.348 -1.347 0.000 68.54
HCO3- 1.028e-03 9.930e-04 -2.988 -3.003 -0.015 25.66
CO3-2 7.880e-11 6.850e-11 -10.103 -10.164 -0.061 -0.93
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.468 -41.468 0.000 28.46
O(0) 3.405e-10
O2 1.703e-10 1.703e-10 -9.769 -9.769 0.000 29.93
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 351 atm)
CH4(g) -125.16 -128.19 -3.02 CH4
CO2(g) 1.88 0.19 -1.68 CO2 Pressure 349.2 atm, phi 0.215
H2(g) -38.19 -41.47 -3.28 H2
H2O(g) -1.40 -0.01 1.39 H2O Pressure 1.5 atm, phi 0.027
O2(g) -6.69 -9.77 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 27.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 442.66 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.10e-02 liters/mole
P * Vm / RT: 0.74155 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.64 4.408e+02 0.199 2.335e+01 2.430e+01 9.482e-01
H2O(g) 0.27 1.863e+00 0.023 9.730e-02 1.027e-01 5.386e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.707e+00 1.704e+00
----------------------------Description of solution----------------------------
pH = 2.976 Charge balance
pe = 16.092 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 384
Density (g/cm³) = 1.03147
Volume (L) = 1.04041
Viscosity (mPa s) = 1.00471
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.094e-03
Mass of water (kg) = 9.981e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.707e+00
Temperature (°C) = 25.00
Pressure (atm) = 442.66
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.108071e+02
Total O = 5.881180e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.094e-03 1.056e-03 -2.961 -2.976 -0.015 0.00
OH- 1.395e-11 1.345e-11 -10.855 -10.871 -0.016 -2.66
H2O 5.551e+01 9.718e-01 1.744 -0.012 0.000 17.73
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.219 -128.218 0.000 35.96
C(4) 1.707e+00
CO2 1.611e+00 1.611e+00 0.207 0.207 0.000 34.23
(CO2)2 4.764e-02 4.765e-02 -1.322 -1.322 0.000 68.46
HCO3- 1.094e-03 1.055e-03 -2.961 -2.977 -0.016 25.91
CO3-2 8.669e-11 7.509e-11 -10.062 -10.124 -0.062 -0.24
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.510 -41.510 0.000 28.42
O(0) 3.406e-10
O2 1.703e-10 1.703e-10 -9.769 -9.769 0.000 29.83
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 443 atm)
CH4(g) -125.13 -128.22 -3.08 CH4
CO2(g) 1.94 0.21 -1.74 CO2 Pressure 440.8 atm, phi 0.199
H2(g) -38.19 -41.51 -3.32 H2
H2O(g) -1.38 -0.01 1.36 H2O Pressure 1.9 atm, phi 0.023
O2(g) -6.64 -9.77 -3.13 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 28.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 558.75 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.95e-02 liters/mole
P * Vm / RT: 0.90095 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.75 5.564e+02 0.191 2.430e+01 2.524e+01 9.455e-01
H2O(g) 0.37 2.361e+00 0.019 1.027e-01 1.071e-01 4.442e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.762e+00 1.759e+00
----------------------------Description of solution----------------------------
pH = 2.945 Charge balance
pe = 16.121 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 415
Density (g/cm³) = 1.03663
Volume (L) = 1.03747
Viscosity (mPa s) = 1.00901
Activity of water = 0.971
Ionic strength (mol/kgw) = 1.176e-03
Mass of water (kg) = 9.980e-01
Total alkalinity (eq/kg) = 1.213e-09
Total CO2 (mol/kg) = 1.762e+00
Temperature (°C) = 25.00
Pressure (atm) = 558.75
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32 (133 overall)
Total H = 1.107982e+02
Total O = 5.891645e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.176e-03 1.135e-03 -2.930 -2.945 -0.015 0.00
OH- 1.418e-11 1.366e-11 -10.848 -10.865 -0.016 -2.33
H2O 5.551e+01 9.709e-01 1.744 -0.013 0.000 17.64
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.261 -128.261 0.000 36.07
C(4) 1.762e+00
CO2 1.660e+00 1.660e+00 0.220 0.220 0.000 34.18
(CO2)2 5.057e-02 5.059e-02 -1.296 -1.296 0.000 68.35
HCO3- 1.176e-03 1.133e-03 -2.930 -2.946 -0.016 26.21
CO3-2 9.737e-11 8.398e-11 -10.012 -10.076 -0.064 0.59
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.563 -41.563 0.000 28.38
O(0) 3.406e-10
O2 1.703e-10 1.703e-10 -9.769 -9.769 0.000 29.70
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 559 atm)
CH4(g) -125.10 -128.26 -3.16 CH4
CO2(g) 2.03 0.22 -1.81 CO2 Pressure 556.4 atm, phi 0.191
H2(g) -38.18 -41.56 -3.38 H2
H2O(g) -1.34 -0.01 1.33 H2O Pressure 2.4 atm, phi 0.019
O2(g) -6.58 -9.77 -3.19 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 29.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 705.72 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.80e-02 liters/mole
P * Vm / RT: 1.09694 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.85 7.028e+02 0.191 2.524e+01 2.619e+01 9.441e-01
H2O(g) 0.47 2.960e+00 0.017 1.071e-01 1.103e-01 3.179e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.818e+00 1.815e+00
----------------------------Description of solution----------------------------
pH = 2.909 Charge balance
pe = 16.154 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 454
Density (g/cm³) = 1.04287
Volume (L) = 1.03356
Viscosity (mPa s) = 1.01430
Activity of water = 0.970
Ionic strength (mol/kgw) = 1.280e-03
Mass of water (kg) = 9.980e-01
Total alkalinity (eq/kg) = 1.213e-09
Total CO2 (mol/kg) = 1.818e+00
Temperature (°C) = 25.00
Pressure (atm) = 705.72
Electrical balance (eq) = -1.210e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 41 (142 overall)
Total H = 1.107918e+02
Total O = 5.902505e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.280e-03 1.234e-03 -2.893 -2.909 -0.016 0.00
OH- 1.451e-11 1.395e-11 -10.838 -10.855 -0.017 -1.95
H2O 5.551e+01 9.700e-01 1.744 -0.013 0.000 17.54
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.318 -128.317 0.000 36.18
C(4) 1.818e+00
CO2 1.710e+00 1.710e+00 0.233 0.233 0.000 34.11
(CO2)2 5.365e-02 5.367e-02 -1.270 -1.270 0.000 68.22
HCO3- 1.280e-03 1.232e-03 -2.893 -2.909 -0.017 26.56
CO3-2 1.121e-10 9.622e-11 -9.950 -10.017 -0.066 1.56
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.630 -41.630 0.000 28.34
O(0) 3.406e-10
O2 1.703e-10 1.704e-10 -9.769 -9.769 0.000 29.55
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 706 atm)
CH4(g) -125.06 -128.32 -3.25 CH4
CO2(g) 2.13 0.23 -1.89 CO2 Pressure 702.8 atm, phi 0.191
H2(g) -38.17 -41.63 -3.46 H2
H2O(g) -1.30 -0.01 1.28 H2O Pressure 3.0 atm, phi 0.017
O2(g) -6.51 -9.77 -3.26 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 30.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 893.08 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.67e-02 liters/mole
P * Vm / RT: 1.33993 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.95 8.894e+02 0.201 2.619e+01 2.713e+01 9.449e-01
H2O(g) 0.56 3.666e+00 0.016 1.103e-01 1.118e-01 1.531e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.873e+00 1.870e+00
----------------------------Description of solution----------------------------
pH = 2.866 Charge balance
pe = 16.193 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 505
Density (g/cm³) = 1.05046
Volume (L) = 1.02838
Viscosity (mPa s) = 1.02112
Activity of water = 0.969
Ionic strength (mol/kgw) = 1.414e-03
Mass of water (kg) = 9.980e-01
Total alkalinity (eq/kg) = 1.213e-09
Total CO2 (mol/kg) = 1.873e+00
Temperature (°C) = 25.00
Pressure (atm) = 893.08
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 52 (153 overall)
Total H = 1.107888e+02
Total O = 5.913372e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.414e-03 1.361e-03 -2.849 -2.866 -0.017 0.00
OH- 1.496e-11 1.436e-11 -10.825 -10.843 -0.018 -1.51
H2O 5.551e+01 9.691e-01 1.744 -0.014 0.000 17.42
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.395 -128.395 0.000 36.31
C(4) 1.873e+00
CO2 1.759e+00 1.759e+00 0.245 0.245 0.000 34.03
(CO2)2 5.677e-02 5.679e-02 -1.246 -1.246 0.000 68.06
HCO3- 1.414e-03 1.359e-03 -2.849 -2.867 -0.017 26.97
CO3-2 1.330e-10 1.135e-10 -9.876 -9.945 -0.069 2.69
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.715 -41.715 0.000 28.28
O(0) 3.406e-10
O2 1.703e-10 1.704e-10 -9.769 -9.769 0.000 29.38
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 893 atm)
CH4(g) -125.02 -128.39 -3.38 CH4
CO2(g) 2.25 0.25 -2.01 CO2 Pressure 889.4 atm, phi 0.201
H2(g) -38.17 -41.72 -3.55 H2
H2O(g) -1.24 -0.01 1.23 H2O Pressure 3.7 atm, phi 0.016
O2(g) -6.41 -9.77 -3.36 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 31.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1134.73 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.55e-02 liters/mole
P * Vm / RT: 1.64522 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.05 1.130e+03 0.226 2.713e+01 2.808e+01 9.490e-01
H2O(g) 0.65 4.478e+00 0.015 1.118e-01 1.112e-01 -5.962e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.925e+00 1.921e+00
----------------------------Description of solution----------------------------
pH = 2.816 Charge balance
pe = 16.238 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 572
Density (g/cm³) = 1.05981
Volume (L) = 1.02144
Viscosity (mPa s) = 1.03051
Activity of water = 0.968
Ionic strength (mol/kgw) = 1.591e-03
Mass of water (kg) = 9.980e-01
Total alkalinity (eq/kg) = 1.214e-09
Total CO2 (mol/kg) = 1.925e+00
Temperature (°C) = 25.00
Pressure (atm) = 1134.73
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 53 (154 overall)
Total H = 1.107900e+02
Total O = 5.923633e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.591e-03 1.529e-03 -2.798 -2.816 -0.017 0.00
OH- 1.558e-11 1.493e-11 -10.807 -10.826 -0.018 -0.99
H2O 5.551e+01 9.683e-01 1.744 -0.014 0.000 17.26
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.500 -128.500 0.000 36.45
C(4) 1.925e+00
CO2 1.804e+00 1.804e+00 0.256 0.256 0.000 33.93
(CO2)2 5.971e-02 5.974e-02 -1.224 -1.224 0.000 67.87
HCO3- 1.591e-03 1.527e-03 -2.798 -2.816 -0.018 27.45
CO3-2 1.638e-10 1.387e-10 -9.786 -9.858 -0.072 4.01
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.825 -41.825 0.000 28.22
O(0) 3.406e-10
O2 1.703e-10 1.704e-10 -9.769 -9.769 0.000 29.18
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1135 atm)
CH4(g) -124.96 -128.50 -3.54 CH4
CO2(g) 2.41 0.26 -2.15 CO2 Pressure 1130.2 atm, phi 0.226
H2(g) -38.16 -41.83 -3.67 H2
H2O(g) -1.17 -0.01 1.16 H2O Pressure 4.5 atm, phi 0.015
O2(g) -6.29 -9.77 -3.48 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 32.
Using solution 1.
Using gas phase 1.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1452.23 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.43e-02 liters/mole
P * Vm / RT: 2.03657 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.16 1.447e+03 0.278 2.808e+01 2.904e+01 9.583e-01
H2O(g) 0.73 5.375e+00 0.016 1.112e-01 1.079e-01 -3.372e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.966e+00 1.962e+00
----------------------------Description of solution----------------------------
pH = 2.756 Charge balance
pe = 16.292 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 663
Density (g/cm³) = 1.07179
Volume (L) = 1.01178
Viscosity (mPa s) = 1.04480
Activity of water = 0.968
Ionic strength (mol/kgw) = 1.831e-03
Mass of water (kg) = 9.980e-01
Total alkalinity (eq/kg) = 1.213e-09
Total CO2 (mol/kg) = 1.966e+00
Temperature (°C) = 25.00
Pressure (atm) = 1452.23
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 67 (168 overall)
Total H = 1.107967e+02
Total O = 5.932304e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.831e-03 1.755e-03 -2.737 -2.756 -0.018 0.00
OH- 1.644e-11 1.572e-11 -10.784 -10.804 -0.020 -0.40
H2O 5.551e+01 9.676e-01 1.744 -0.014 0.000 17.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -128.646 -128.646 0.000 36.60
C(4) 1.966e+00
CO2 1.840e+00 1.841e+00 0.265 0.265 0.000 33.81
(CO2)2 6.216e-02 6.218e-02 -1.207 -1.206 0.000 67.63
HCO3- 1.831e-03 1.752e-03 -2.737 -2.756 -0.019 28.01
CO3-2 2.117e-10 1.776e-10 -9.674 -9.751 -0.076 5.53
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.970 -41.970 0.000 28.15
O(0) 3.406e-10
O2 1.703e-10 1.704e-10 -9.769 -9.769 0.000 28.96
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1452 atm)
CH4(g) -124.90 -128.65 -3.74 CH4
CO2(g) 2.60 0.26 -2.34 CO2 Pressure 1446.9 atm, phi 0.278
H2(g) -38.14 -41.97 -3.83 H2
H2O(g) -1.08 -0.01 1.06 H2O Pressure 5.4 atm, phi 0.016
O2(g) -6.13 -9.77 -3.64 O2
**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.
------------------------------------
USE solution 1
USE gas_phase 1
REACTION
CO2 1
0 29*1
REACTION_TEMPERATURE 2
50
END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.12 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.18e+02 liters/mole
P * Vm / RT: 0.99847 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) -99.99 0.000e+00 0.278 0.000e+00 0.000e+00 0.000e+00
H2O(g) -0.92 1.216e-01 0.998 0.000e+00 4.591e-03 4.591e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 6.632 Charge balance
pe = 9.227 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 0
Density (g/cm³) = 0.98799
Volume (L) = 1.01207
Viscosity (mPa s) = 0.54650
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.341e-07
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 50.00
Pressure (atm) = 0.12
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.26
Iterations = 15
Total H = 1.110033e+02
Total O = 5.550163e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.347e-07 2.346e-07 -6.629 -6.630 -0.000 -3.83
H+ 2.335e-07 2.334e-07 -6.632 -6.632 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.23
H(0) 2.155e-35
H2 1.077e-35 1.077e-35 -34.968 -34.968 0.000 28.59
O(0) 2.744e-15
O2 1.372e-15 1.372e-15 -14.863 -14.863 0.000 31.93
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 0 atm)
H2(g) -31.83 -34.97 -3.14 H2
H2O(g) -0.92 -0.00 0.92 H2O Pressure 0.1 atm, phi 0.998
O2(g) -11.83 -14.86 -3.03 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 17.11 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.43e+00 liters/mole
P * Vm / RT: 0.92337 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.23 1.697e+01 0.928 0.000e+00 6.930e-01 6.930e-01
H2O(g) -0.85 1.400e-01 0.872 4.591e-03 5.717e-03 1.126e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.070e-01 3.070e-01
----------------------------Description of solution----------------------------
pH = 3.402 Charge balance
pe = 12.461 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 205
Density (g/cm³) = 0.99137
Volume (L) = 1.02222
Viscosity (mPa s) = 0.55428
Activity of water = 0.995
Ionic strength (mol/kgw) = 4.059e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 3.070e-01
Temperature (°C) = 50.00
Pressure (atm) = 17.11
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.110010e+02
Total O = 5.611440e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.059e-04 3.965e-04 -3.392 -3.402 -0.010 0.00
OH- 1.426e-10 1.392e-10 -9.846 -9.856 -0.011 -3.83
H2O 5.551e+01 9.948e-01 1.744 -0.002 0.000 18.22
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.285 -106.285 0.000 37.34
C(4) 3.070e-01
CO2 2.998e-01 2.998e-01 -0.523 -0.523 0.000 35.64
(CO2)2 3.375e-03 3.375e-03 -2.472 -2.472 0.000 71.28
HCO3- 4.059e-04 3.963e-04 -3.392 -3.402 -0.010 25.62
CO3-2 7.490e-11 6.807e-11 -10.126 -10.167 -0.042 -3.09
H(0) 2.076e-35
H2 1.038e-35 1.038e-35 -34.984 -34.984 0.000 28.58
O(0) 2.833e-15
O2 1.416e-15 1.416e-15 -14.849 -14.849 0.000 31.89
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 17 atm)
CH4(g) -103.32 -106.28 -2.97 CH4
CO2(g) 1.20 -0.52 -1.72 CO2 Pressure 17.0 atm, phi 0.928
H2(g) -31.84 -34.98 -3.14 H2
H2O(g) -0.91 -0.00 0.91 H2O Pressure 0.1 atm, phi 0.872
O2(g) -11.81 -14.85 -3.04 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 32.84 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.85e-01 liters/mole
P * Vm / RT: 0.84849 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.51 3.268e+01 0.864 6.930e-01 1.452e+00 7.592e-01
H2O(g) -0.79 1.615e-01 0.761 5.717e-03 7.178e-03 1.461e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.478e-01 5.478e-01
----------------------------Description of solution----------------------------
pH = 3.277 Charge balance
pe = 2.499 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 269
Density (g/cm³) = 0.99409
Volume (L) = 1.03007
Viscosity (mPa s) = 0.56005
Activity of water = 0.991
Ionic strength (mol/kgw) = 5.432e-04
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 5.478e-01
Temperature (°C) = 50.00
Pressure (atm) = 32.84
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35
Total H = 1.109981e+02
Total O = 5.659456e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.432e-04 5.288e-04 -3.265 -3.277 -0.012 0.00
OH- 1.083e-10 1.053e-10 -9.965 -9.978 -0.012 -3.84
H2O 5.551e+01 9.909e-01 1.744 -0.004 0.000 18.21
C(-4) 4.473e-26
CH4 4.473e-26 4.474e-26 -25.349 -25.349 0.000 37.35
C(4) 5.478e-01
CO2 5.265e-01 5.265e-01 -0.279 -0.279 0.000 35.62
(CO2)2 1.041e-02 1.041e-02 -1.983 -1.983 0.000 71.25
HCO3- 5.432e-04 5.284e-04 -3.265 -3.277 -0.012 25.68
CO3-2 7.726e-11 6.922e-11 -10.112 -10.160 -0.048 -2.93
H(0) 3.050e-15
H2 1.525e-15 1.525e-15 -14.817 -14.817 0.000 28.57
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -55.200 -55.200 0.000 31.85
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 33 atm)
CH4(g) -22.37 -25.35 -2.98 CH4
CO2(g) 1.45 -0.28 -1.73 CO2 Pressure 32.7 atm, phi 0.864
H2(g) -11.67 -14.82 -3.15 H2
H2O(g) -0.91 -0.00 0.91 H2O Pressure 0.2 atm, phi 0.761
O2(g) -52.15 -55.20 -3.05 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 46.93 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.38e-01 liters/mole
P * Vm / RT: 0.77604 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.67 4.675e+01 0.809 1.452e+00 2.272e+00 8.193e-01
H2O(g) -0.73 1.861e-01 0.665 7.178e-03 9.044e-03 1.866e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.286e-01 7.285e-01
----------------------------Description of solution----------------------------
pH = 3.215 Charge balance
pe = 2.412 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 307
Density (g/cm³) = 0.99620
Volume (L) = 1.03584
Viscosity (mPa s) = 0.56436
Activity of water = 0.988
Ionic strength (mol/kgw) = 6.276e-04
Mass of water (kg) = 9.998e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 7.286e-01
Temperature (°C) = 50.00
Pressure (atm) = 46.93
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
Total H = 1.109943e+02
Total O = 5.695410e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.276e-04 6.099e-04 -3.202 -3.215 -0.012 0.00
OH- 9.491e-11 9.211e-11 -10.023 -10.036 -0.013 -3.86
H2O 5.551e+01 9.879e-01 1.744 -0.005 0.000 18.20
C(-4) 9.033e-25
CH4 9.033e-25 9.034e-25 -24.044 -24.044 0.000 37.36
C(4) 7.286e-01
CO2 6.920e-01 6.921e-01 -0.160 -0.160 0.000 35.61
(CO2)2 1.798e-02 1.798e-02 -1.745 -1.745 0.000 71.22
HCO3- 6.276e-04 6.094e-04 -3.202 -3.215 -0.013 25.74
CO3-2 7.904e-11 7.026e-11 -10.102 -10.153 -0.051 -2.79
H(0) 5.968e-15
H2 2.984e-15 2.984e-15 -14.525 -14.525 0.000 28.57
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -55.798 -55.798 0.000 31.82
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 47 atm)
CH4(g) -21.06 -24.04 -2.99 CH4
CO2(g) 1.58 -0.16 -1.74 CO2 Pressure 46.7 atm, phi 0.809
H2(g) -11.37 -14.53 -3.16 H2
H2O(g) -0.91 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.665
O2(g) -52.74 -55.80 -3.05 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 59.15 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.17e-01 liters/mole
P * Vm / RT: 0.70757 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.77 5.894e+01 0.763 2.272e+00 3.141e+00 8.697e-01
H2O(g) -0.67 2.136e-01 0.583 9.044e-03 1.139e-02 2.342e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.589e-01 8.588e-01
----------------------------Description of solution----------------------------
pH = 3.178 Charge balance
pe = 12.793 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 330
Density (g/cm³) = 0.99780
Volume (L) = 1.03988
Viscosity (mPa s) = 0.56749
Activity of water = 0.986
Ionic strength (mol/kgw) = 6.831e-04
Mass of water (kg) = 9.998e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 8.589e-01
Temperature (°C) = 50.00
Pressure (atm) = 59.15
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Total H = 1.109897e+02
Total O = 5.721235e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.831e-04 6.630e-04 -3.166 -3.178 -0.013 0.00
OH- 8.811e-11 8.541e-11 -10.055 -10.068 -0.014 -3.87
H2O 5.551e+01 9.858e-01 1.744 -0.006 0.000 18.19
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.739 -106.739 0.000 37.37
C(4) 8.589e-01
CO2 8.091e-01 8.092e-01 -0.092 -0.092 0.000 35.60
(CO2)2 2.458e-02 2.458e-02 -1.609 -1.609 0.000 71.19
HCO3- 6.831e-04 6.625e-04 -3.166 -3.179 -0.013 25.79
CO3-2 8.045e-11 7.117e-11 -10.094 -10.148 -0.053 -2.68
H(0) 1.205e-35
H2 6.024e-36 6.025e-36 -35.220 -35.220 0.000 28.56
O(0) 7.600e-15
O2 3.800e-15 3.800e-15 -14.420 -14.420 0.000 31.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 59 atm)
CH4(g) -103.74 -106.74 -2.99 CH4
CO2(g) 1.65 -0.09 -1.74 CO2 Pressure 58.9 atm, phi 0.763
H2(g) -32.06 -35.22 -3.16 H2
H2O(g) -0.90 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.583
O2(g) -11.36 -14.42 -3.06 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 69.44 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.46e-01 liters/mole
P * Vm / RT: 0.64428 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.84 6.920e+01 0.724 3.141e+00 4.050e+00 9.089e-01
H2O(g) -0.61 2.437e-01 0.514 1.139e-02 1.427e-02 2.881e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.501e-01 9.498e-01
----------------------------Description of solution----------------------------
pH = 3.156 Charge balance
pe = 12.850 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 346
Density (g/cm³) = 0.99898
Volume (L) = 1.04261
Viscosity (mPa s) = 0.56971
Activity of water = 0.984
Ionic strength (mol/kgw) = 7.202e-04
Mass of water (kg) = 9.997e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 9.501e-01
Temperature (°C) = 50.00
Pressure (atm) = 69.44
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
Total H = 1.109839e+02
Total O = 5.739160e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.202e-04 6.986e-04 -3.143 -3.156 -0.013 0.00
OH- 8.429e-11 8.164e-11 -10.074 -10.088 -0.014 -3.88
H2O 5.551e+01 9.843e-01 1.744 -0.007 0.000 18.18
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.978 -106.978 0.000 37.37
C(4) 9.501e-01
CO2 8.899e-01 8.900e-01 -0.051 -0.051 0.000 35.58
(CO2)2 2.973e-02 2.974e-02 -1.527 -1.527 0.000 71.17
HCO3- 7.202e-04 6.979e-04 -3.143 -3.156 -0.014 25.83
CO3-2 8.158e-11 7.195e-11 -10.088 -10.143 -0.055 -2.58
H(0) 1.017e-35
H2 5.084e-36 5.085e-36 -35.294 -35.294 0.000 28.55
O(0) 1.042e-14
O2 5.211e-15 5.212e-15 -14.283 -14.283 0.000 31.77
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 69 atm)
CH4(g) -103.98 -106.98 -3.00 CH4
CO2(g) 1.70 -0.05 -1.75 CO2 Pressure 69.2 atm, phi 0.724
H2(g) -32.13 -35.29 -3.17 H2
H2O(g) -0.90 -0.01 0.90 H2O Pressure 0.2 atm, phi 0.514
O2(g) -11.22 -14.28 -3.07 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 77.91 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.00e-01 liters/mole
P * Vm / RT: 0.58695 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.89 7.763e+01 0.693 4.050e+00 4.988e+00 9.376e-01
H2O(g) -0.56 2.762e-01 0.456 1.427e-02 1.774e-02 3.477e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.013e+00 1.012e+00
----------------------------Description of solution----------------------------
pH = 3.141 Charge balance
pe = 12.763 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 357
Density (g/cm³) = 0.99985
Volume (L) = 1.04438
Viscosity (mPa s) = 0.57126
Activity of water = 0.983
Ionic strength (mol/kgw) = 7.453e-04
Mass of water (kg) = 9.997e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.013e+00
Temperature (°C) = 50.00
Pressure (atm) = 77.91
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Total H = 1.109769e+02
Total O = 5.751290e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.453e-04 7.226e-04 -3.128 -3.141 -0.013 0.00
OH- 8.202e-11 7.941e-11 -10.086 -10.100 -0.014 -3.89
H2O 5.551e+01 9.833e-01 1.744 -0.007 0.000 18.17
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.138 -106.138 0.000 37.38
C(4) 1.013e+00
CO2 9.448e-01 9.449e-01 -0.025 -0.025 0.000 35.58
(CO2)2 3.351e-02 3.352e-02 -1.475 -1.475 0.000 71.15
HCO3- 7.453e-04 7.219e-04 -3.128 -3.142 -0.014 25.86
CO3-2 8.247e-11 7.259e-11 -10.084 -10.139 -0.055 -2.50
H(0) 1.614e-35
H2 8.068e-36 8.069e-36 -35.093 -35.093 0.000 28.55
O(0) 4.062e-15
O2 2.031e-15 2.031e-15 -14.692 -14.692 0.000 31.75
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 78 atm)
CH4(g) -103.13 -106.14 -3.01 CH4
CO2(g) 1.73 -0.02 -1.76 CO2 Pressure 77.6 atm, phi 0.693
H2(g) -31.92 -35.09 -3.17 H2
H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.456
O2(g) -11.62 -14.69 -3.07 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 84.81 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.68e-01 liters/mole
P * Vm / RT: 0.53598 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.93 8.450e+01 0.668 4.988e+00 5.945e+00 9.575e-01
H2O(g) -0.51 3.107e-01 0.407 1.774e-02 2.186e-02 4.119e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.055e+00 1.055e+00
----------------------------Description of solution----------------------------
pH = 3.131 Charge balance
pe = 12.921 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 364
Density (g/cm³) = 1.00049
Volume (L) = 1.04551
Viscosity (mPa s) = 0.57234
Activity of water = 0.983
Ionic strength (mol/kgw) = 7.626e-04
Mass of water (kg) = 9.996e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.055e+00
Temperature (°C) = 50.00
Pressure (atm) = 84.81
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.109687e+02
Total O = 5.759384e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.626e-04 7.391e-04 -3.118 -3.131 -0.014 0.00
OH- 8.063e-11 7.803e-11 -10.094 -10.108 -0.014 -3.90
H2O 5.551e+01 9.827e-01 1.744 -0.008 0.000 18.17
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -107.312 -107.312 0.000 37.38
C(4) 1.055e+00
CO2 9.820e-01 9.821e-01 -0.008 -0.008 0.000 35.57
(CO2)2 3.620e-02 3.621e-02 -1.441 -1.441 0.000 71.14
HCO3- 7.626e-04 7.384e-04 -3.118 -3.132 -0.014 25.88
CO3-2 8.319e-11 7.312e-11 -10.080 -10.136 -0.056 -2.44
H(0) 8.088e-36
H2 4.044e-36 4.045e-36 -35.393 -35.393 0.000 28.55
O(0) 1.592e-14
O2 7.962e-15 7.964e-15 -14.099 -14.099 0.000 31.74
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 85 atm)
CH4(g) -104.30 -107.31 -3.01 CH4
CO2(g) 1.75 -0.01 -1.76 CO2 Pressure 84.5 atm, phi 0.668
H2(g) -32.22 -35.39 -3.18 H2
H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.407
O2(g) -11.03 -14.10 -3.07 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 90.49 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.44e-01 liters/mole
P * Vm / RT: 0.49151 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.95 9.014e+01 0.648 5.945e+00 6.916e+00 9.706e-01
H2O(g) -0.46 3.475e-01 0.365 2.186e-02 2.666e-02 4.799e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.085e+00 1.084e+00
----------------------------Description of solution----------------------------
pH = 3.125 Charge balance
pe = 12.956 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 369
Density (g/cm³) = 1.00098
Volume (L) = 1.04621
Viscosity (mPa s) = 0.57310
Activity of water = 0.982
Ionic strength (mol/kgw) = 7.747e-04
Mass of water (kg) = 9.995e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.085e+00
Temperature (°C) = 50.00
Pressure (atm) = 90.49
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.109591e+02
Total O = 5.764790e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.747e-04 7.507e-04 -3.111 -3.125 -0.014 0.00
OH- 7.974e-11 7.715e-11 -10.098 -10.113 -0.014 -3.90
H2O 5.551e+01 9.822e-01 1.744 -0.008 0.000 18.16
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -107.531 -107.531 0.000 37.38
C(4) 1.085e+00
CO2 1.008e+00 1.008e+00 0.003 0.003 0.000 35.56
(CO2)2 3.812e-02 3.813e-02 -1.419 -1.419 0.000 71.12
HCO3- 7.747e-04 7.500e-04 -3.111 -3.125 -0.014 25.90
CO3-2 8.376e-11 7.356e-11 -10.077 -10.133 -0.056 -2.39
H(0) 7.055e-36
H2 3.527e-36 3.528e-36 -35.453 -35.452 0.000 28.54
O(0) 2.068e-14
O2 1.034e-14 1.034e-14 -13.985 -13.985 0.000 31.72
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 90 atm)
CH4(g) -104.52 -107.53 -3.01 CH4
CO2(g) 1.77 0.00 -1.76 CO2 Pressure 90.1 atm, phi 0.648
H2(g) -32.27 -35.45 -3.18 H2
H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.3 atm, phi 0.365
O2(g) -10.91 -13.99 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 95.32 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.26e-01 liters/mole
P * Vm / RT: 0.45350 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.98 9.494e+01 0.630 6.916e+00 7.895e+00 9.787e-01
H2O(g) -0.41 3.869e-01 0.329 2.666e-02 3.217e-02 5.510e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.106e+00 1.105e+00
----------------------------Description of solution----------------------------
pH = 3.120 Charge balance
pe = 12.993 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 373
Density (g/cm³) = 1.00135
Volume (L) = 1.04665
Viscosity (mPa s) = 0.57368
Activity of water = 0.982
Ionic strength (mol/kgw) = 7.838e-04
Mass of water (kg) = 9.994e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.106e+00
Temperature (°C) = 50.00
Pressure (atm) = 95.32
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.109481e+02
Total O = 5.768491e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.838e-04 7.594e-04 -3.106 -3.120 -0.014 0.00
OH- 7.914e-11 7.655e-11 -10.102 -10.116 -0.014 -3.91
H2O 5.551e+01 9.819e-01 1.744 -0.008 0.000 18.16
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -107.784 -107.784 0.000 37.39
C(4) 1.106e+00
CO2 1.026e+00 1.026e+00 0.011 0.011 0.000 35.56
(CO2)2 3.954e-02 3.955e-02 -1.403 -1.403 0.000 71.11
HCO3- 7.838e-04 7.586e-04 -3.106 -3.120 -0.014 25.92
CO3-2 8.424e-11 7.393e-11 -10.074 -10.131 -0.057 -2.34
H(0) 6.048e-36
H2 3.024e-36 3.025e-36 -35.519 -35.519 0.000 28.54
O(0) 2.785e-14
O2 1.392e-14 1.393e-14 -13.856 -13.856 0.000 31.71
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 95 atm)
CH4(g) -104.77 -107.78 -3.02 CH4
CO2(g) 1.78 0.01 -1.77 CO2 Pressure 94.9 atm, phi 0.630
H2(g) -32.34 -35.52 -3.18 H2
H2O(g) -0.90 -0.01 0.89 H2O Pressure 0.4 atm, phi 0.329
O2(g) -10.78 -13.86 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 99.75 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.12e-01 liters/mole
P * Vm / RT: 0.42188 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.00 9.932e+01 0.615 7.895e+00 8.878e+00 9.834e-01
H2O(g) -0.37 4.298e-01 0.297 3.217e-02 3.841e-02 6.243e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.123e+00 1.122e+00
----------------------------Description of solution----------------------------
pH = 3.116 Charge balance
pe = 12.962 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 376
Density (g/cm³) = 1.00168
Volume (L) = 1.04693
Viscosity (mPa s) = 0.57414
Activity of water = 0.982
Ionic strength (mol/kgw) = 7.911e-04
Mass of water (kg) = 9.993e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.123e+00
Temperature (°C) = 50.00
Pressure (atm) = 99.75
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.109356e+02
Total O = 5.771184e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.911e-04 7.664e-04 -3.102 -3.116 -0.014 0.00
OH- 7.869e-11 7.611e-11 -10.104 -10.119 -0.014 -3.91
H2O 5.551e+01 9.816e-01 1.744 -0.008 0.000 18.16
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -107.503 -107.503 0.000 37.39
C(4) 1.123e+00
CO2 1.041e+00 1.041e+00 0.017 0.017 0.000 35.55
(CO2)2 4.066e-02 4.067e-02 -1.391 -1.391 0.000 71.10
HCO3- 7.911e-04 7.656e-04 -3.102 -3.116 -0.014 25.94
CO3-2 8.468e-11 7.427e-11 -10.072 -10.129 -0.057 -2.30
H(0) 7.063e-36
H2 3.532e-36 3.532e-36 -35.452 -35.452 0.000 28.54
O(0) 2.023e-14
O2 1.012e-14 1.012e-14 -13.995 -13.995 0.000 31.70
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 100 atm)
CH4(g) -104.48 -107.50 -3.02 CH4
CO2(g) 1.79 0.02 -1.77 CO2 Pressure 99.3 atm, phi 0.615
H2(g) -32.27 -35.45 -3.18 H2
H2O(g) -0.89 -0.01 0.89 H2O Pressure 0.4 atm, phi 0.297
O2(g) -10.91 -13.99 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 104.21 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.01e-01 liters/mole
P * Vm / RT: 0.39658 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.02 1.037e+02 0.599 8.878e+00 9.864e+00 9.856e-01
H2O(g) -0.32 4.775e-01 0.268 3.841e-02 4.540e-02 6.987e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.137e+00 1.136e+00
----------------------------Description of solution----------------------------
pH = 3.112 Charge balance
pe = 12.878 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 379
Density (g/cm³) = 1.00199
Volume (L) = 1.04712
Viscosity (mPa s) = 0.57456
Activity of water = 0.981
Ionic strength (mol/kgw) = 7.977e-04
Mass of water (kg) = 9.992e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.137e+00
Temperature (°C) = 50.00
Pressure (atm) = 104.21
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.109216e+02
Total O = 5.773357e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.977e-04 7.726e-04 -3.098 -3.112 -0.014 0.00
OH- 7.834e-11 7.576e-11 -10.106 -10.121 -0.015 -3.92
H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 18.15
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.798 -106.798 0.000 37.39
C(4) 1.137e+00
CO2 1.053e+00 1.053e+00 0.023 0.023 0.000 35.55
(CO2)2 4.165e-02 4.166e-02 -1.380 -1.380 0.000 71.09
HCO3- 7.977e-04 7.718e-04 -3.098 -3.112 -0.014 25.96
CO3-2 8.511e-11 7.462e-11 -10.070 -10.127 -0.057 -2.26
H(0) 1.053e-35
H2 5.265e-36 5.266e-36 -35.279 -35.278 0.000 28.54
O(0) 9.018e-15
O2 4.509e-15 4.510e-15 -14.346 -14.346 0.000 31.69
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 104 atm)
CH4(g) -103.78 -106.80 -3.02 CH4
CO2(g) 1.79 0.02 -1.77 CO2 Pressure 103.7 atm, phi 0.599
H2(g) -32.09 -35.28 -3.18 H2
H2O(g) -0.89 -0.01 0.89 H2O Pressure 0.5 atm, phi 0.268
O2(g) -11.26 -14.35 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 109.16 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.17e-02 liters/mole
P * Vm / RT: 0.37756 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.04 1.086e+02 0.583 9.864e+00 1.085e+01 9.862e-01
H2O(g) -0.27 5.320e-01 0.241 4.540e-02 5.313e-02 7.732e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.151e+00 1.150e+00
----------------------------Description of solution----------------------------
pH = 3.109 Charge balance
pe = 12.934 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 381
Density (g/cm³) = 1.00231
Volume (L) = 1.04725
Viscosity (mPa s) = 0.57497
Activity of water = 0.981
Ionic strength (mol/kgw) = 8.043e-04
Mass of water (kg) = 9.990e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.151e+00
Temperature (°C) = 50.00
Pressure (atm) = 109.16
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 33
Total H = 1.109062e+02
Total O = 5.775348e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.043e-04 7.789e-04 -3.095 -3.109 -0.014 0.00
OH- 7.802e-11 7.544e-11 -10.108 -10.122 -0.015 -3.92
H2O 5.551e+01 9.811e-01 1.744 -0.008 0.000 18.15
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -107.216 -107.216 0.000 37.39
C(4) 1.151e+00
CO2 1.065e+00 1.065e+00 0.027 0.028 0.000 35.54
(CO2)2 4.261e-02 4.262e-02 -1.371 -1.370 0.000 71.08
HCO3- 8.043e-04 7.781e-04 -3.095 -3.109 -0.014 25.97
CO3-2 8.560e-11 7.500e-11 -10.068 -10.125 -0.057 -2.22
H(0) 8.226e-36
H2 4.113e-36 4.114e-36 -35.386 -35.386 0.000 28.54
O(0) 1.463e-14
O2 7.314e-15 7.316e-15 -14.136 -14.136 0.000 31.68
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 109 atm)
CH4(g) -104.19 -107.22 -3.03 CH4
CO2(g) 1.80 0.03 -1.77 CO2 Pressure 108.6 atm, phi 0.583
H2(g) -32.20 -35.39 -3.19 H2
H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.5 atm, phi 0.241
O2(g) -11.05 -14.14 -3.09 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 115.10 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.41e-02 liters/mole
P * Vm / RT: 0.36486 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.06 1.145e+02 0.564 1.085e+01 1.184e+01 9.855e-01
H2O(g) -0.22 5.960e-01 0.216 5.313e-02 6.160e-02 8.464e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.166e+00 1.165e+00
----------------------------Description of solution----------------------------
pH = 3.105 Charge balance
pe = 12.712 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 384
Density (g/cm³) = 1.00268
Volume (L) = 1.04734
Viscosity (mPa s) = 0.57542
Activity of water = 0.981
Ionic strength (mol/kgw) = 8.115e-04
Mass of water (kg) = 9.989e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.166e+00
Temperature (°C) = 50.00
Pressure (atm) = 115.10
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29
Total H = 1.108892e+02
Total O = 5.777398e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.115e-04 7.858e-04 -3.091 -3.105 -0.014 0.00
OH- 7.771e-11 7.513e-11 -10.110 -10.124 -0.015 -3.93
H2O 5.551e+01 9.809e-01 1.744 -0.008 0.000 18.14
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -105.406 -105.406 0.000 37.40
C(4) 1.166e+00
CO2 1.078e+00 1.078e+00 0.033 0.033 0.000 35.54
(CO2)2 4.362e-02 4.363e-02 -1.360 -1.360 0.000 71.07
HCO3- 8.115e-04 7.850e-04 -3.091 -3.105 -0.014 25.99
CO3-2 8.617e-11 7.547e-11 -10.065 -10.122 -0.058 -2.16
H(0) 2.315e-35
H2 1.158e-35 1.158e-35 -34.936 -34.936 0.000 28.53
O(0) 1.825e-15
O2 9.123e-16 9.124e-16 -15.040 -15.040 0.000 31.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 115 atm)
CH4(g) -102.38 -105.41 -3.03 CH4
CO2(g) 1.81 0.03 -1.78 CO2 Pressure 114.5 atm, phi 0.564
H2(g) -31.75 -34.94 -3.19 H2
H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.6 atm, phi 0.216
O2(g) -11.95 -15.04 -3.09 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 122.58 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.76e-02 liters/mole
P * Vm / RT: 0.35861 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.09 1.219e+02 0.542 1.184e+01 1.282e+01 9.840e-01
H2O(g) -0.17 6.730e-01 0.192 6.160e-02 7.077e-02 9.169e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.182e+00 1.181e+00
----------------------------Description of solution----------------------------
pH = 3.100 Charge balance
pe = 2.403 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 388
Density (g/cm³) = 1.00313
Volume (L) = 1.04741
Viscosity (mPa s) = 0.57595
Activity of water = 0.981
Ionic strength (mol/kgw) = 8.198e-04
Mass of water (kg) = 9.987e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.182e+00
Temperature (°C) = 50.00
Pressure (atm) = 122.58
Electrical balance (eq) = -1.221e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
Total H = 1.108709e+02
Total O = 5.779678e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.198e-04 7.938e-04 -3.086 -3.100 -0.014 0.00
OH- 7.740e-11 7.482e-11 -10.111 -10.126 -0.015 -3.93
H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.14
C(-4) 1.272e-23
CH4 1.272e-23 1.273e-23 -22.895 -22.895 0.000 37.40
C(4) 1.182e+00
CO2 1.092e+00 1.092e+00 0.038 0.038 0.000 35.53
(CO2)2 4.476e-02 4.477e-02 -1.349 -1.349 0.000 71.05
HCO3- 8.198e-04 7.930e-04 -3.086 -3.101 -0.014 26.02
CO3-2 8.689e-11 7.606e-11 -10.061 -10.119 -0.058 -2.10
H(0) 9.736e-15
H2 4.868e-15 4.869e-15 -14.313 -14.313 0.000 28.53
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -56.294 -56.294 0.000 31.65
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 123 atm)
CH4(g) -19.86 -22.90 -3.03 CH4
CO2(g) 1.82 0.04 -1.78 CO2 Pressure 121.9 atm, phi 0.542
H2(g) -11.12 -14.31 -3.19 H2
H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.7 atm, phi 0.192
O2(g) -53.20 -56.29 -3.09 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 132.16 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.20e-02 liters/mole
P * Vm / RT: 0.35903 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.12 1.314e+02 0.516 1.282e+01 1.380e+01 9.819e-01
H2O(g) -0.12 7.673e-01 0.170 7.077e-02 8.060e-02 9.828e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.201e+00 1.199e+00
----------------------------Description of solution----------------------------
pH = 3.095 Charge balance
pe = 2.132 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 392
Density (g/cm³) = 1.00368
Volume (L) = 1.04745
Viscosity (mPa s) = 0.57656
Activity of water = 0.980
Ionic strength (mol/kgw) = 8.298e-04
Mass of water (kg) = 9.985e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.201e+00
Temperature (°C) = 50.00
Pressure (atm) = 132.16
Electrical balance (eq) = -1.222e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.108512e+02
Total O = 5.782314e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.298e-04 8.033e-04 -3.081 -3.095 -0.014 0.00
OH- 7.709e-11 7.451e-11 -10.113 -10.128 -0.015 -3.94
H2O 5.551e+01 9.804e-01 1.744 -0.009 0.000 18.13
C(-4) 2.042e-21
CH4 2.042e-21 2.042e-21 -20.690 -20.690 0.000 37.41
C(4) 1.201e+00
CO2 1.108e+00 1.108e+00 0.044 0.044 0.000 35.52
(CO2)2 4.606e-02 4.607e-02 -1.337 -1.337 0.000 71.03
HCO3- 8.298e-04 8.024e-04 -3.081 -3.096 -0.015 26.06
CO3-2 8.782e-11 7.681e-11 -10.056 -10.115 -0.058 -2.01
H(0) 3.429e-14
H2 1.714e-14 1.715e-14 -13.766 -13.766 0.000 28.53
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.396 -57.396 0.000 31.63
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 132 atm)
CH4(g) -17.65 -20.69 -3.04 CH4
CO2(g) 1.83 0.04 -1.79 CO2 Pressure 131.4 atm, phi 0.516
H2(g) -10.57 -13.77 -3.20 H2
H2O(g) -0.89 -0.01 0.88 H2O Pressure 0.8 atm, phi 0.170
O2(g) -54.30 -57.40 -3.10 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 144.52 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.72e-02 liters/mole
P * Vm / RT: 0.36646 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.16 1.436e+02 0.488 1.380e+01 1.478e+01 9.793e-01
H2O(g) -0.05 8.845e-01 0.148 8.060e-02 9.102e-02 1.042e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.221e+00 1.219e+00
----------------------------Description of solution----------------------------
pH = 3.089 Charge balance
pe = 2.038 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 398
Density (g/cm³) = 1.00438
Volume (L) = 1.04745
Viscosity (mPa s) = 0.57730
Activity of water = 0.980
Ionic strength (mol/kgw) = 8.417e-04
Mass of water (kg) = 9.983e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.221e+00
Temperature (°C) = 50.00
Pressure (atm) = 144.52
Electrical balance (eq) = -1.221e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 44
Total H = 1.108304e+02
Total O = 5.785404e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.417e-04 8.147e-04 -3.075 -3.089 -0.014 0.00
OH- 7.679e-11 7.420e-11 -10.115 -10.130 -0.015 -3.96
H2O 5.551e+01 9.800e-01 1.744 -0.009 0.000 18.12
C(-4) 1.295e-20
CH4 1.295e-20 1.295e-20 -19.888 -19.888 0.000 37.41
C(4) 1.221e+00
CO2 1.125e+00 1.126e+00 0.051 0.051 0.000 35.50
(CO2)2 4.756e-02 4.757e-02 -1.323 -1.323 0.000 71.01
HCO3- 8.417e-04 8.138e-04 -3.075 -3.089 -0.015 26.10
CO3-2 8.902e-11 7.780e-11 -10.051 -10.109 -0.059 -1.91
H(0) 5.371e-14
H2 2.686e-14 2.686e-14 -13.571 -13.571 0.000 28.52
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.797 -57.797 0.000 31.61
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 145 atm)
CH4(g) -16.84 -19.89 -3.05 CH4
CO2(g) 1.85 0.05 -1.79 CO2 Pressure 143.6 atm, phi 0.488
H2(g) -10.37 -13.57 -3.20 H2
H2O(g) -0.88 -0.01 0.87 H2O Pressure 0.9 atm, phi 0.148
O2(g) -54.69 -57.80 -3.10 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 160.38 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.31e-02 liters/mole
P * Vm / RT: 0.38136 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.20 1.593e+02 0.457 1.478e+01 1.576e+01 9.764e-01
H2O(g) 0.01 1.031e+00 0.129 9.102e-02 1.020e-01 1.094e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.245e+00 1.243e+00
----------------------------Description of solution----------------------------
pH = 3.082 Charge balance
pe = 1.998 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 404
Density (g/cm³) = 1.00524
Volume (L) = 1.04738
Viscosity (mPa s) = 0.57819
Activity of water = 0.980
Ionic strength (mol/kgw) = 8.561e-04
Mass of water (kg) = 9.981e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.245e+00
Temperature (°C) = 50.00
Pressure (atm) = 160.38
Electrical balance (eq) = -1.218e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.108085e+02
Total O = 5.789024e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.561e-04 8.285e-04 -3.067 -3.082 -0.014 0.00
OH- 7.651e-11 7.391e-11 -10.116 -10.131 -0.015 -3.97
H2O 5.551e+01 9.797e-01 1.744 -0.009 0.000 18.11
C(-4) 3.082e-20
CH4 3.082e-20 3.082e-20 -19.511 -19.511 0.000 37.42
C(4) 1.245e+00
CO2 1.146e+00 1.146e+00 0.059 0.059 0.000 35.49
(CO2)2 4.929e-02 4.930e-02 -1.307 -1.307 0.000 70.97
HCO3- 8.561e-04 8.276e-04 -3.067 -3.082 -0.015 26.16
CO3-2 9.056e-11 7.907e-11 -10.043 -10.102 -0.059 -1.77
H(0) 6.565e-14
H2 3.283e-14 3.283e-14 -13.484 -13.484 0.000 28.51
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.985 -57.985 0.000 31.58
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 160 atm)
CH4(g) -16.45 -19.51 -3.06 CH4
CO2(g) 1.86 0.06 -1.80 CO2 Pressure 159.3 atm, phi 0.457
H2(g) -10.27 -13.48 -3.21 H2
H2O(g) -0.88 -0.01 0.87 H2O Pressure 1.0 atm, phi 0.129
O2(g) -54.87 -57.99 -3.11 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 180.60 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.94e-02 liters/mole
P * Vm / RT: 0.40435 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.25 1.794e+02 0.426 1.576e+01 1.673e+01 9.733e-01
H2O(g) 0.08 1.215e+00 0.111 1.020e-01 1.133e-01 1.134e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.272e+00 1.270e+00
----------------------------Description of solution----------------------------
pH = 3.073 Charge balance
pe = 1.972 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 412
Density (g/cm³) = 1.00631
Volume (L) = 1.04724
Viscosity (mPa s) = 0.57925
Activity of water = 0.979
Ionic strength (mol/kgw) = 8.735e-04
Mass of water (kg) = 9.979e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.272e+00
Temperature (°C) = 50.00
Pressure (atm) = 180.60
Electrical balance (eq) = -1.218e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 56
Total H = 1.107858e+02
Total O = 5.793238e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.735e-04 8.451e-04 -3.059 -3.073 -0.014 0.00
OH- 7.627e-11 7.366e-11 -10.118 -10.133 -0.015 -3.99
H2O 5.551e+01 9.792e-01 1.744 -0.009 0.000 18.09
C(-4) 5.807e-20
CH4 5.807e-20 5.808e-20 -19.236 -19.236 0.000 37.43
C(4) 1.272e+00
CO2 1.169e+00 1.169e+00 0.068 0.068 0.000 35.47
(CO2)2 5.130e-02 5.131e-02 -1.290 -1.290 0.000 70.93
HCO3- 8.735e-04 8.441e-04 -3.059 -3.074 -0.015 26.23
CO3-2 9.255e-11 8.072e-11 -10.034 -10.093 -0.059 -1.59
H(0) 7.543e-14
H2 3.771e-14 3.772e-14 -13.424 -13.423 0.000 28.51
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.123 -58.123 0.000 31.53
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 181 atm)
CH4(g) -16.17 -19.24 -3.07 CH4
CO2(g) 1.88 0.07 -1.82 CO2 Pressure 179.4 atm, phi 0.426
H2(g) -10.20 -13.42 -3.22 H2
H2O(g) -0.87 -0.01 0.86 H2O Pressure 1.2 atm, phi 0.111
O2(g) -55.00 -58.12 -3.12 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 206.19 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.61e-02 liters/mole
P * Vm / RT: 0.43621 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.31 2.047e+02 0.394 1.673e+01 1.770e+01 9.699e-01
H2O(g) 0.16 1.445e+00 0.095 1.133e-01 1.249e-01 1.161e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.303e+00 1.300e+00
----------------------------Description of solution----------------------------
pH = 3.063 Charge balance
pe = 1.908 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 421
Density (g/cm³) = 1.00763
Volume (L) = 1.04697
Viscosity (mPa s) = 0.58051
Activity of water = 0.979
Ionic strength (mol/kgw) = 8.944e-04
Mass of water (kg) = 9.977e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.303e+00
Temperature (°C) = 50.00
Pressure (atm) = 206.19
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 65
Total H = 1.107626e+02
Total O = 5.798099e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.944e-04 8.650e-04 -3.048 -3.063 -0.015 0.00
OH- 7.611e-11 7.347e-11 -10.119 -10.134 -0.015 -4.02
H2O 5.551e+01 9.787e-01 1.744 -0.009 0.000 18.07
C(-4) 2.221e-19
CH4 2.221e-19 2.221e-19 -18.653 -18.653 0.000 37.44
C(4) 1.303e+00
CO2 1.195e+00 1.195e+00 0.077 0.077 0.000 35.44
(CO2)2 5.359e-02 5.360e-02 -1.271 -1.271 0.000 70.88
HCO3- 8.944e-04 8.641e-04 -3.048 -3.063 -0.015 26.32
CO3-2 9.511e-11 8.283e-11 -10.022 -10.082 -0.060 -1.38
H(0) 1.030e-13
H2 5.149e-14 5.150e-14 -13.288 -13.288 0.000 28.49
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.416 -58.416 0.000 31.48
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 206 atm)
CH4(g) -15.57 -18.65 -3.09 CH4
CO2(g) 1.91 0.08 -1.83 CO2 Pressure 204.7 atm, phi 0.394
H2(g) -10.06 -13.29 -3.23 H2
H2O(g) -0.86 -0.01 0.86 H2O Pressure 1.4 atm, phi 0.095
O2(g) -55.28 -58.42 -3.14 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 238.31 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.32e-02 liters/mole
P * Vm / RT: 0.47795 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.37 2.366e+02 0.365 1.770e+01 1.867e+01 9.664e-01
H2O(g) 0.24 1.731e+00 0.081 1.249e-01 1.366e-01 1.171e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.337e+00 1.333e+00
----------------------------Description of solution----------------------------
pH = 3.051 Charge balance
pe = 1.912 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 432
Density (g/cm³) = 1.00924
Volume (L) = 1.04656
Viscosity (mPa s) = 0.58202
Activity of water = 0.978
Ionic strength (mol/kgw) = 9.196e-04
Mass of water (kg) = 9.975e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.337e+00
Temperature (°C) = 50.00
Pressure (atm) = 238.31
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 75
Total H = 1.107392e+02
Total O = 5.803656e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.196e-04 8.890e-04 -3.036 -3.051 -0.015 0.00
OH- 7.605e-11 7.339e-11 -10.119 -10.134 -0.015 -4.04
H2O 5.551e+01 9.782e-01 1.744 -0.010 0.000 18.05
C(-4) 2.550e-19
CH4 2.550e-19 2.551e-19 -18.593 -18.593 0.000 37.46
C(4) 1.337e+00
CO2 1.223e+00 1.224e+00 0.088 0.088 0.000 35.41
(CO2)2 5.620e-02 5.621e-02 -1.250 -1.250 0.000 70.81
HCO3- 9.196e-04 8.880e-04 -3.036 -3.052 -0.015 26.43
CO3-2 9.837e-11 8.553e-11 -10.007 -10.068 -0.061 -1.11
H(0) 1.036e-13
H2 5.178e-14 5.179e-14 -13.286 -13.286 0.000 28.48
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.449 -58.449 0.000 31.42
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 238 atm)
CH4(g) -15.49 -18.59 -3.10 CH4
CO2(g) 1.94 0.09 -1.85 CO2 Pressure 236.6 atm, phi 0.365
H2(g) -10.04 -13.29 -3.25 H2
H2O(g) -0.86 -0.01 0.85 H2O Pressure 1.7 atm, phi 0.081
O2(g) -55.30 -58.45 -3.15 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 278.39 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.06e-02 liters/mole
P * Vm / RT: 0.53082 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.44 2.763e+02 0.338 1.867e+01 1.963e+01 9.627e-01
H2O(g) 0.32 2.086e+00 0.069 1.366e-01 1.482e-01 1.162e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.374e+00 1.371e+00
----------------------------Description of solution----------------------------
pH = 3.037 Charge balance
pe = 1.910 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 446
Density (g/cm³) = 1.01120
Volume (L) = 1.04594
Viscosity (mPa s) = 0.58381
Activity of water = 0.978
Ionic strength (mol/kgw) = 9.498e-04
Mass of water (kg) = 9.973e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.374e+00
Temperature (°C) = 50.00
Pressure (atm) = 278.39
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 86
Total H = 1.107160e+02
Total O = 5.809945e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.498e-04 9.178e-04 -3.022 -3.037 -0.015 0.00
OH- 7.616e-11 7.346e-11 -10.118 -10.134 -0.016 -4.08
H2O 5.551e+01 9.776e-01 1.744 -0.010 0.000 18.02
C(-4) 3.264e-19
CH4 3.264e-19 3.265e-19 -18.486 -18.486 0.000 37.48
C(4) 1.374e+00
CO2 1.255e+00 1.255e+00 0.099 0.099 0.000 35.37
(CO2)2 5.915e-02 5.916e-02 -1.228 -1.228 0.000 70.73
HCO3- 9.498e-04 9.167e-04 -3.022 -3.038 -0.015 26.56
CO3-2 1.025e-10 8.898e-11 -9.989 -10.051 -0.062 -0.79
H(0) 1.063e-13
H2 5.317e-14 5.318e-14 -13.274 -13.274 0.000 28.46
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.506 -58.506 0.000 31.34
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 278 atm)
CH4(g) -15.36 -18.49 -3.13 CH4
CO2(g) 1.97 0.10 -1.87 CO2 Pressure 276.3 atm, phi 0.338
H2(g) -10.01 -13.27 -3.27 H2
H2O(g) -0.84 -0.01 0.83 H2O Pressure 2.1 atm, phi 0.069
O2(g) -55.33 -58.51 -3.17 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 328.12 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.82e-02 liters/mole
P * Vm / RT: 0.59639 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.51 3.256e+02 0.315 1.963e+01 2.059e+01 9.591e-01
H2O(g) 0.40 2.523e+00 0.059 1.482e-01 1.595e-01 1.130e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.416e+00 1.412e+00
----------------------------Description of solution----------------------------
pH = 3.021 Charge balance
pe = 1.871 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 463
Density (g/cm³) = 1.01357
Volume (L) = 1.04507
Viscosity (mPa s) = 0.58594
Activity of water = 0.977
Ionic strength (mol/kgw) = 9.860e-04
Mass of water (kg) = 9.971e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.416e+00
Temperature (°C) = 50.00
Pressure (atm) = 328.12
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 44 (145 overall)
Total H = 1.106934e+02
Total O = 5.816996e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.860e-04 9.524e-04 -3.006 -3.021 -0.015 0.00
OH- 7.650e-11 7.375e-11 -10.116 -10.132 -0.016 -4.12
H2O 5.551e+01 9.770e-01 1.744 -0.010 0.000 17.98
C(-4) 8.626e-19
CH4 8.626e-19 8.628e-19 -18.064 -18.064 0.000 37.50
C(4) 1.416e+00
CO2 1.290e+00 1.290e+00 0.111 0.111 0.000 35.32
(CO2)2 6.246e-02 6.248e-02 -1.204 -1.204 0.000 70.63
HCO3- 9.860e-04 9.512e-04 -3.006 -3.022 -0.016 26.72
CO3-2 1.078e-10 9.339e-11 -9.967 -10.030 -0.062 -0.39
H(0) 1.299e-13
H2 6.497e-14 6.499e-14 -13.187 -13.187 0.000 28.45
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.723 -58.723 0.000 31.25
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 328 atm)
CH4(g) -14.90 -18.06 -3.16 CH4
CO2(g) 2.01 0.11 -1.90 CO2 Pressure 325.6 atm, phi 0.315
H2(g) -9.90 -13.19 -3.29 H2
H2O(g) -0.83 -0.01 0.82 H2O Pressure 2.5 atm, phi 0.059
O2(g) -55.53 -58.72 -3.20 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 24.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 389.62 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.61e-02 liters/mole
P * Vm / RT: 0.67665 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.59 3.866e+02 0.296 2.059e+01 2.154e+01 9.555e-01
H2O(g) 0.48 3.055e+00 0.050 1.595e-01 1.702e-01 1.071e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.461e+00 1.456e+00
----------------------------Description of solution----------------------------
pH = 3.003 Charge balance
pe = 14.086 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 482
Density (g/cm³) = 1.01643
Volume (L) = 1.04387
Viscosity (mPa s) = 0.58847
Activity of water = 0.976
Ionic strength (mol/kgw) = 1.030e-03
Mass of water (kg) = 9.969e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.461e+00
Temperature (°C) = 50.00
Pressure (atm) = 389.62
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 126 (227 overall)
Total H = 1.106719e+02
Total O = 5.824829e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.030e-03 9.938e-04 -2.987 -3.003 -0.015 0.00
OH- 7.716e-11 7.434e-11 -10.113 -10.129 -0.016 -4.17
H2O 5.551e+01 9.763e-01 1.744 -0.010 0.000 17.94
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.657 -115.657 0.000 37.52
C(4) 1.461e+00
CO2 1.327e+00 1.328e+00 0.123 0.123 0.000 35.26
(CO2)2 6.615e-02 6.616e-02 -1.179 -1.179 0.000 70.51
HCO3- 1.030e-03 9.926e-04 -2.987 -3.003 -0.016 26.91
CO3-2 1.147e-10 9.905e-11 -9.941 -10.004 -0.064 0.08
H(0) 4.935e-38
H2 2.468e-38 2.468e-38 -37.608 -37.608 0.000 28.42
O(0) 2.322e-10
O2 1.161e-10 1.161e-10 -9.935 -9.935 0.000 31.14
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 390 atm)
CH4(g) -112.46 -115.66 -3.20 CH4
CO2(g) 2.06 0.12 -1.94 CO2 Pressure 386.6 atm, phi 0.296
H2(g) -34.29 -37.61 -3.32 H2
H2O(g) -0.81 -0.01 0.80 H2O Pressure 3.1 atm, phi 0.050
O2(g) -6.71 -9.94 -3.23 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 25.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 465.50 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.41e-02 liters/mole
P * Vm / RT: 0.77414 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.66 4.618e+02 0.282 2.154e+01 2.250e+01 9.520e-01
H2O(g) 0.57 3.696e+00 0.044 1.702e-01 1.801e-01 9.820e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.509e+00 1.504e+00
----------------------------Description of solution----------------------------
pH = 2.981 Charge balance
pe = 14.106 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 507
Density (g/cm³) = 1.01986
Volume (L) = 1.04226
Viscosity (mPa s) = 0.59150
Activity of water = 0.976
Ionic strength (mol/kgw) = 1.082e-03
Mass of water (kg) = 9.967e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.509e+00
Temperature (°C) = 50.00
Pressure (atm) = 465.50
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.106523e+02
Total O = 5.833442e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.082e-03 1.044e-03 -2.966 -2.981 -0.016 0.00
OH- 7.827e-11 7.534e-11 -10.106 -10.123 -0.017 -4.22
H2O 5.551e+01 9.755e-01 1.744 -0.011 0.000 17.88
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.680 -115.680 0.000 37.55
C(4) 1.509e+00
CO2 1.368e+00 1.368e+00 0.136 0.136 0.000 35.18
(CO2)2 7.022e-02 7.023e-02 -1.154 -1.153 0.000 70.37
HCO3- 1.082e-03 1.042e-03 -2.966 -2.982 -0.016 27.14
CO3-2 1.235e-10 1.063e-10 -9.909 -9.973 -0.065 0.64
H(0) 4.580e-38
H2 2.290e-38 2.290e-38 -37.640 -37.640 0.000 28.39
O(0) 2.322e-10
O2 1.161e-10 1.161e-10 -9.935 -9.935 0.000 31.01
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 466 atm)
CH4(g) -112.44 -115.68 -3.25 CH4
CO2(g) 2.11 0.14 -1.98 CO2 Pressure 461.8 atm, phi 0.282
H2(g) -34.29 -37.64 -3.35 H2
H2O(g) -0.79 -0.01 0.78 H2O Pressure 3.7 atm, phi 0.044
O2(g) -6.67 -9.94 -3.27 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 26.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 559.09 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.23e-02 liters/mole
P * Vm / RT: 0.89211 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.74 5.546e+02 0.274 2.250e+01 2.344e+01 9.489e-01
H2O(g) 0.65 4.463e+00 0.039 1.801e-01 1.886e-01 8.575e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.561e+00 1.555e+00
----------------------------Description of solution----------------------------
pH = 2.957 Charge balance
pe = 14.129 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 536
Density (g/cm³) = 1.02395
Volume (L) = 1.04014
Viscosity (mPa s) = 0.59512
Activity of water = 0.975
Ionic strength (mol/kgw) = 1.146e-03
Mass of water (kg) = 9.966e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.561e+00
Temperature (°C) = 50.00
Pressure (atm) = 559.09
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.106352e+02
Total O = 5.842814e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.146e-03 1.104e-03 -2.941 -2.957 -0.016 0.00
OH- 7.998e-11 7.693e-11 -10.097 -10.114 -0.017 -4.28
H2O 5.551e+01 9.747e-01 1.744 -0.011 0.000 17.82
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.711 -115.711 0.000 37.58
C(4) 1.561e+00
CO2 1.410e+00 1.410e+00 0.149 0.149 0.000 35.10
(CO2)2 7.466e-02 7.468e-02 -1.127 -1.127 0.000 70.20
HCO3- 1.146e-03 1.103e-03 -2.941 -2.958 -0.017 27.41
CO3-2 1.349e-10 1.158e-10 -9.870 -9.936 -0.066 1.29
H(0) 4.178e-38
H2 2.089e-38 2.090e-38 -37.680 -37.680 0.000 28.36
O(0) 2.323e-10
O2 1.161e-10 1.162e-10 -9.935 -9.935 0.000 30.85
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 559 atm)
CH4(g) -112.41 -115.71 -3.30 CH4
CO2(g) 2.18 0.15 -2.03 CO2 Pressure 554.6 atm, phi 0.274
H2(g) -34.28 -37.68 -3.40 H2
H2O(g) -0.76 -0.01 0.75 H2O Pressure 4.5 atm, phi 0.039
O2(g) -6.62 -9.93 -3.31 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 27.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 674.65 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.07e-02 liters/mole
P * Vm / RT: 1.03479 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.83 6.693e+02 0.272 2.344e+01 2.439e+01 9.462e-01
H2O(g) 0.73 5.366e+00 0.035 1.886e-01 1.956e-01 6.925e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.615e+00 1.609e+00
----------------------------Description of solution----------------------------
pH = 2.929 Charge balance
pe = 14.154 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 572
Density (g/cm³) = 1.02885
Volume (L) = 1.03737
Viscosity (mPa s) = 0.59952
Activity of water = 0.974
Ionic strength (mol/kgw) = 1.223e-03
Mass of water (kg) = 9.965e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.615e+00
Temperature (°C) = 50.00
Pressure (atm) = 674.65
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.106213e+02
Total O = 5.852887e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.223e-03 1.178e-03 -2.913 -2.929 -0.016 0.00
OH- 8.256e-11 7.933e-11 -10.083 -10.101 -0.017 -4.35
H2O 5.551e+01 9.739e-01 1.744 -0.011 0.000 17.74
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.752 -115.752 0.000 37.61
C(4) 1.615e+00
CO2 1.455e+00 1.455e+00 0.163 0.163 0.000 35.00
(CO2)2 7.945e-02 7.947e-02 -1.100 -1.100 0.000 69.99
HCO3- 1.223e-03 1.176e-03 -2.913 -2.930 -0.017 27.73
CO3-2 1.500e-10 1.283e-10 -9.824 -9.892 -0.068 2.06
H(0) 3.732e-38
H2 1.866e-38 1.866e-38 -37.729 -37.729 0.000 28.33
O(0) 2.323e-10
O2 1.161e-10 1.162e-10 -9.935 -9.935 0.000 30.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 675 atm)
CH4(g) -112.38 -115.75 -3.37 CH4
CO2(g) 2.26 0.16 -2.10 CO2 Pressure 669.3 atm, phi 0.272
H2(g) -34.28 -37.73 -3.45 H2
H2O(g) -0.73 -0.01 0.72 H2O Pressure 5.4 atm, phi 0.035
O2(g) -6.57 -9.93 -3.37 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 28.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 817.86 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.92e-02 liters/mole
P * Vm / RT: 1.20781 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.91 8.114e+02 0.278 2.439e+01 2.534e+01 9.443e-01
H2O(g) 0.81 6.418e+00 0.032 1.956e-01 2.004e-01 4.813e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.671e+00 1.665e+00
----------------------------Description of solution----------------------------
pH = 2.897 Charge balance
pe = 14.184 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 616
Density (g/cm³) = 1.03468
Volume (L) = 1.03381
Viscosity (mPa s) = 0.60489
Activity of water = 0.973
Ionic strength (mol/kgw) = 1.318e-03
Mass of water (kg) = 9.964e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.671e+00
Temperature (°C) = 50.00
Pressure (atm) = 817.86
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.106117e+02
Total O = 5.863555e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.318e-03 1.268e-03 -2.880 -2.897 -0.017 0.00
OH- 8.639e-11 8.290e-11 -10.064 -10.081 -0.018 -4.43
H2O 5.551e+01 9.730e-01 1.744 -0.012 0.000 17.64
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.805 -115.805 0.000 37.65
C(4) 1.671e+00
CO2 1.501e+00 1.501e+00 0.176 0.176 0.000 34.88
(CO2)2 8.454e-02 8.456e-02 -1.073 -1.073 0.000 69.76
HCO3- 1.318e-03 1.266e-03 -2.880 -2.898 -0.017 28.09
CO3-2 1.703e-10 1.450e-10 -9.769 -9.839 -0.070 2.95
H(0) 3.246e-38
H2 1.623e-38 1.623e-38 -37.790 -37.790 0.000 28.28
O(0) 2.323e-10
O2 1.162e-10 1.162e-10 -9.935 -9.935 0.000 30.47
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 818 atm)
CH4(g) -112.34 -115.81 -3.46 CH4
CO2(g) 2.35 0.18 -2.18 CO2 Pressure 811.4 atm, phi 0.278
H2(g) -34.27 -37.79 -3.51 H2
H2O(g) -0.69 -0.01 0.68 H2O Pressure 6.4 atm, phi 0.032
O2(g) -6.50 -9.93 -3.44 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 29.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 996.34 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.78e-02 liters/mole
P * Vm / RT: 1.41885 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.00 9.887e+02 0.296 2.534e+01 2.628e+01 9.435e-01
H2O(g) 0.88 7.621e+00 0.030 2.004e-01 2.025e-01 2.166e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.728e+00 1.721e+00
----------------------------Description of solution----------------------------
pH = 2.860 Charge balance
pe = 14.217 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 670
Density (g/cm³) = 1.04167
Volume (L) = 1.02922
Viscosity (mPa s) = 0.61160
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.435e-03
Mass of water (kg) = 9.963e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.728e+00
Temperature (°C) = 50.00
Pressure (atm) = 996.34
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 47 (148 overall)
Total H = 1.106074e+02
Total O = 5.874637e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.435e-03 1.379e-03 -2.843 -2.860 -0.017 0.00
OH- 9.204e-11 8.821e-11 -10.036 -10.054 -0.018 -4.50
H2O 5.551e+01 9.721e-01 1.744 -0.012 0.000 17.53
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.875 -115.875 0.000 37.68
C(4) 1.728e+00
CO2 1.547e+00 1.547e+00 0.189 0.189 0.000 34.74
(CO2)2 8.981e-02 8.984e-02 -1.047 -1.047 0.000 69.48
HCO3- 1.435e-03 1.377e-03 -2.843 -2.861 -0.018 28.52
CO3-2 1.982e-10 1.679e-10 -9.703 -9.775 -0.072 3.97
H(0) 2.730e-38
H2 1.365e-38 1.365e-38 -37.865 -37.865 0.000 28.24
O(0) 2.323e-10
O2 1.162e-10 1.162e-10 -9.935 -9.935 0.000 30.24
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 996 atm)
CH4(g) -112.30 -115.87 -3.57 CH4
CO2(g) 2.47 0.19 -2.28 CO2 Pressure 988.7 atm, phi 0.296
H2(g) -34.27 -37.86 -3.60 H2
H2O(g) -0.64 -0.01 0.63 H2O Pressure 7.6 atm, phi 0.030
O2(g) -6.41 -9.93 -3.52 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 30.
Using solution 1.
Using gas phase 1.
Using temperature 2.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1220.78 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.65e-02 liters/mole
P * Vm / RT: 1.67866 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.08 1.212e+03 0.331 2.628e+01 2.722e+01 9.445e-01
H2O(g) 0.95 8.967e+00 0.029 2.025e-01 2.014e-01 -1.108e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.783e+00 1.777e+00
----------------------------Description of solution----------------------------
pH = 2.818 Charge balance
pe = 14.255 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 50°C) = 739
Density (g/cm³) = 1.05008
Volume (L) = 1.02332
Viscosity (mPa s) = 0.62017
Activity of water = 0.971
Ionic strength (mol/kgw) = 1.583e-03
Mass of water (kg) = 9.963e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.783e+00
Temperature (°C) = 50.00
Pressure (atm) = 1220.78
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 55 (156 overall)
Total H = 1.106096e+02
Total O = 5.885843e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.583e-03 1.519e-03 -2.801 -2.818 -0.018 0.00
OH- 1.005e-10 9.618e-11 -9.998 -10.017 -0.019 -4.59
H2O 5.551e+01 9.713e-01 1.744 -0.013 0.000 17.39
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -115.966 -115.966 0.000 37.71
C(4) 1.783e+00
CO2 1.592e+00 1.592e+00 0.202 0.202 0.000 34.57
(CO2)2 9.511e-02 9.514e-02 -1.022 -1.022 0.000 69.15
HCO3- 1.583e-03 1.516e-03 -2.801 -2.819 -0.019 29.00
CO3-2 2.378e-10 2.002e-10 -9.624 -9.699 -0.075 5.14
H(0) 2.197e-38
H2 1.098e-38 1.099e-38 -37.959 -37.959 0.000 28.18
O(0) 2.323e-10
O2 1.162e-10 1.162e-10 -9.935 -9.935 0.000 29.97
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(323 K, 1221 atm)
CH4(g) -112.25 -115.97 -3.71 CH4
CO2(g) 2.60 0.20 -2.40 CO2 Pressure 1211.8 atm, phi 0.331
H2(g) -34.26 -37.96 -3.70 H2
H2O(g) -0.58 -0.01 0.57 H2O Pressure 9.0 atm, phi 0.029
O2(g) -6.31 -9.93 -3.63 O2
**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.
------------------------------------
USE solution 1
USE gas_phase 1
REACTION
CO2 1
0 27*1
REACTION_TEMPERATURE 3
75
USER_GRAPH 2
-active false
END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.38 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.50e+01 liters/mole
P * Vm / RT: 0.99605 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) -99.99 0.000e+00 0.331 0.000e+00 0.000e+00 0.000e+00
H2O(g) -0.42 3.792e-01 0.996 0.000e+00 1.332e-02 1.332e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 6.344 Charge balance
pe = 7.906 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 0
Density (g/cm³) = 0.97481
Volume (L) = 1.02560
Viscosity (mPa s) = 0.37740
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.534e-07
Mass of water (kg) = 9.998e-01
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 75.00
Pressure (atm) = 0.38
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.13
Iterations = 18
Total H = 1.109858e+02
Total O = 5.549289e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 4.540e-07 4.536e-07 -6.343 -6.343 -0.000 -4.48
H+ 4.528e-07 4.524e-07 -6.344 -6.344 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.48
H(0) 2.918e-32
H2 1.459e-32 1.459e-32 -31.836 -31.836 0.000 28.58
O(0) 2.745e-15
O2 1.372e-15 1.372e-15 -14.863 -14.863 0.000 32.99
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 0 atm)
H2(g) -28.70 -31.84 -3.13 H2
H2O(g) -0.42 -0.00 0.42 H2O Pressure 0.4 atm, phi 0.996
O2(g) -11.76 -14.86 -3.10 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 20.33 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.30e+00 liters/mole
P * Vm / RT: 0.92840 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.30 1.989e+01 0.933 0.000e+00 7.501e-01 7.501e-01
H2O(g) -0.36 4.356e-01 0.874 1.332e-02 1.642e-02 3.100e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.500e-01 2.499e-01
----------------------------Description of solution----------------------------
pH = 3.465 Charge balance
pe = 10.793 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 215
Density (g/cm³) = 0.97762
Volume (L) = 1.03384
Viscosity (mPa s) = 0.38078
Activity of water = 0.996
Ionic strength (mol/kgw) = 3.505e-04
Mass of water (kg) = 9.997e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 2.500e-01
Temperature (°C) = 75.00
Pressure (atm) = 20.33
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 33
Total H = 1.109796e+02
Total O = 5.598962e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.505e-04 3.426e-04 -3.455 -3.465 -0.010 0.00
OH- 6.206e-10 6.060e-10 -9.207 -9.218 -0.010 -4.53
H2O 5.551e+01 9.958e-01 1.744 -0.002 0.000 18.46
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -96.493 -96.493 0.000 39.08
C(4) 2.500e-01
CO2 2.422e-01 2.422e-01 -0.616 -0.616 0.000 37.04
(CO2)2 3.732e-03 3.732e-03 -2.428 -2.428 0.000 74.08
HCO3- 3.505e-04 3.424e-04 -3.455 -3.465 -0.010 25.25
CO3-2 8.398e-11 7.645e-11 -10.076 -10.117 -0.041 -4.80
H(0) 2.758e-32
H2 1.379e-32 1.379e-32 -31.860 -31.860 0.000 28.57
O(0) 2.939e-15
O2 1.469e-15 1.470e-15 -14.833 -14.833 0.000 32.93
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 20 atm)
CH4(g) -93.47 -96.49 -3.02 CH4
CO2(g) 1.27 -0.62 -1.88 CO2 Pressure 19.9 atm, phi 0.933
H2(g) -28.72 -31.86 -3.14 H2
H2O(g) -0.42 -0.00 0.42 H2O Pressure 0.4 atm, phi 0.874
O2(g) -11.73 -14.83 -3.11 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 38.71 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.37e-01 liters/mole
P * Vm / RT: 0.86253 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.58 3.821e+01 0.875 7.501e-01 1.551e+00 8.005e-01
H2O(g) -0.30 4.993e-01 0.769 1.642e-02 2.026e-02 3.838e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.496e-01 4.494e-01
----------------------------Description of solution----------------------------
pH = 3.339 Charge balance
pe = 2.031 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 284
Density (g/cm³) = 0.97995
Volume (L) = 1.04028
Viscosity (mPa s) = 0.38322
Activity of water = 0.993
Ionic strength (mol/kgw) = 4.703e-04
Mass of water (kg) = 9.996e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 4.496e-01
Temperature (°C) = 75.00
Pressure (atm) = 38.71
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35
Total H = 1.109719e+02
Total O = 5.638485e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.703e-04 4.580e-04 -3.328 -3.339 -0.011 0.00
OH- 4.712e-10 4.585e-10 -9.327 -9.339 -0.012 -4.59
H2O 5.551e+01 9.925e-01 1.744 -0.003 0.000 18.45
C(-4) 7.080e-26
CH4 7.080e-26 7.081e-26 -25.150 -25.150 0.000 39.07
C(4) 4.496e-01
CO2 4.260e-01 4.261e-01 -0.371 -0.371 0.000 37.01
(CO2)2 1.155e-02 1.155e-02 -1.937 -1.937 0.000 74.01
HCO3- 4.703e-04 4.577e-04 -3.328 -3.339 -0.012 25.34
CO3-2 8.682e-11 7.791e-11 -10.061 -10.108 -0.047 -4.59
H(0) 1.618e-14
H2 8.090e-15 8.091e-15 -14.092 -14.092 0.000 28.56
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.387 -50.387 0.000 32.88
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 39 atm)
CH4(g) -22.11 -25.15 -3.04 CH4
CO2(g) 1.52 -0.37 -1.89 CO2 Pressure 38.2 atm, phi 0.875
H2(g) -10.94 -14.09 -3.15 H2
H2O(g) -0.42 -0.00 0.41 H2O Pressure 0.5 atm, phi 0.769
O2(g) -47.27 -50.39 -3.12 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 55.38 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.13e-01 liters/mole
P * Vm / RT: 0.80090 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.74 5.481e+01 0.825 1.551e+00 2.395e+00 8.448e-01
H2O(g) -0.24 5.707e-01 0.679 2.026e-02 2.494e-02 4.679e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 6.050e-01 6.047e-01
----------------------------Description of solution----------------------------
pH = 3.275 Charge balance
pe = 2.034 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 326
Density (g/cm³) = 0.98185
Volume (L) = 1.04514
Viscosity (mPa s) = 0.38514
Activity of water = 0.990
Ionic strength (mol/kgw) = 5.462e-04
Mass of water (kg) = 9.995e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 6.050e-01
Temperature (°C) = 75.00
Pressure (atm) = 55.38
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.109626e+02
Total O = 5.669067e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.461e-04 5.309e-04 -3.263 -3.275 -0.012 0.00
OH- 4.119e-10 3.999e-10 -9.385 -9.398 -0.013 -4.64
H2O 5.551e+01 9.901e-01 1.744 -0.004 0.000 18.43
C(-4) 2.860e-25
CH4 2.860e-25 2.861e-25 -24.544 -24.544 0.000 39.07
C(4) 6.050e-01
CO2 5.640e-01 5.640e-01 -0.249 -0.249 0.000 36.98
(CO2)2 2.024e-02 2.024e-02 -1.694 -1.694 0.000 73.95
HCO3- 5.462e-04 5.305e-04 -3.263 -3.275 -0.013 25.42
CO3-2 8.903e-11 7.926e-11 -10.050 -10.101 -0.050 -4.41
H(0) 2.113e-14
H2 1.056e-14 1.056e-14 -13.976 -13.976 0.000 28.55
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.635 -50.635 0.000 32.83
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 55 atm)
CH4(g) -21.50 -24.54 -3.05 CH4
CO2(g) 1.66 -0.25 -1.90 CO2 Pressure 54.8 atm, phi 0.825
H2(g) -10.82 -13.98 -3.16 H2
H2O(g) -0.41 -0.00 0.41 H2O Pressure 0.6 atm, phi 0.679
O2(g) -47.51 -50.63 -3.13 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 70.32 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.02e-01 liters/mole
P * Vm / RT: 0.74429 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.84 6.967e+01 0.782 2.395e+00 3.277e+00 8.813e-01
H2O(g) -0.19 6.497e-01 0.601 2.494e-02 3.056e-02 5.615e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.238e-01 7.234e-01
----------------------------Description of solution----------------------------
pH = 3.236 Charge balance
pe = 2.143 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 354
Density (g/cm³) = 0.98339
Volume (L) = 1.04871
Viscosity (mPa s) = 0.38665
Activity of water = 0.988
Ionic strength (mol/kgw) = 5.986e-04
Mass of water (kg) = 9.994e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 7.238e-01
Temperature (°C) = 75.00
Pressure (atm) = 70.32
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Total H = 1.109513e+02
Total O = 5.692251e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.986e-04 5.812e-04 -3.223 -3.236 -0.013 0.00
OH- 3.806e-10 3.691e-10 -9.419 -9.433 -0.013 -4.69
H2O 5.551e+01 9.882e-01 1.744 -0.005 0.000 18.42
C(-4) 9.189e-26
CH4 9.189e-26 9.190e-26 -25.037 -25.037 0.000 39.07
C(4) 7.238e-01
CO2 6.667e-01 6.667e-01 -0.176 -0.176 0.000 36.95
(CO2)2 2.828e-02 2.829e-02 -1.548 -1.548 0.000 73.90
HCO3- 5.986e-04 5.807e-04 -3.223 -3.236 -0.013 25.49
CO3-2 9.086e-11 8.049e-11 -10.042 -10.094 -0.053 -4.25
H(0) 1.509e-14
H2 7.545e-15 7.546e-15 -14.122 -14.122 0.000 28.54
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.356 -50.356 0.000 32.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 70 atm)
CH4(g) -21.98 -25.04 -3.05 CH4
CO2(g) 1.74 -0.18 -1.91 CO2 Pressure 69.7 atm, phi 0.782
H2(g) -10.96 -14.12 -3.16 H2
H2O(g) -0.41 -0.01 0.40 H2O Pressure 0.6 atm, phi 0.601
O2(g) -47.22 -50.36 -3.13 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 83.65 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.37e-01 liters/mole
P * Vm / RT: 0.69321 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.92 8.291e+01 0.746 3.277e+00 4.186e+00 9.098e-01
H2O(g) -0.13 7.364e-01 0.534 3.056e-02 3.718e-02 6.627e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.142e-01 8.136e-01
----------------------------Description of solution----------------------------
pH = 3.209 Charge balance
pe = 2.090 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 374
Density (g/cm³) = 0.98464
Volume (L) = 1.05128
Viscosity (mPa s) = 0.38784
Activity of water = 0.987
Ionic strength (mol/kgw) = 6.364e-04
Mass of water (kg) = 9.993e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 8.142e-01
Temperature (°C) = 75.00
Pressure (atm) = 83.65
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Total H = 1.109381e+02
Total O = 5.709630e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.364e-04 6.174e-04 -3.196 -3.209 -0.013 0.00
OH- 3.620e-10 3.507e-10 -9.441 -9.455 -0.014 -4.73
H2O 5.551e+01 9.867e-01 1.744 -0.006 0.000 18.41
C(-4) 4.351e-25
CH4 4.351e-25 4.351e-25 -24.361 -24.361 0.000 39.07
C(4) 8.142e-01
CO2 7.432e-01 7.433e-01 -0.129 -0.129 0.000 36.92
(CO2)2 3.515e-02 3.516e-02 -1.454 -1.454 0.000 73.85
HCO3- 6.364e-04 6.169e-04 -3.196 -3.210 -0.014 25.55
CO3-2 9.243e-11 8.159e-11 -10.034 -10.088 -0.054 -4.11
H(0) 2.146e-14
H2 1.073e-14 1.073e-14 -13.969 -13.969 0.000 28.54
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.674 -50.674 0.000 32.75
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 84 atm)
CH4(g) -21.30 -24.36 -3.06 CH4
CO2(g) 1.79 -0.13 -1.92 CO2 Pressure 82.9 atm, phi 0.746
H2(g) -10.80 -13.97 -3.17 H2
H2O(g) -0.41 -0.01 0.40 H2O Pressure 0.7 atm, phi 0.534
O2(g) -47.53 -50.67 -3.14 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 95.56 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.94e-01 liters/mole
P * Vm / RT: 0.64796 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.98 9.473e+01 0.714 4.186e+00 5.117e+00 9.311e-01
H2O(g) -0.08 8.308e-01 0.476 3.718e-02 4.488e-02 7.699e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.833e-01 8.825e-01
----------------------------Description of solution----------------------------
pH = 3.191 Charge balance
pe = 2.102 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 389
Density (g/cm³) = 0.98568
Volume (L) = 1.05312
Viscosity (mPa s) = 0.38880
Activity of water = 0.986
Ionic strength (mol/kgw) = 6.648e-04
Mass of water (kg) = 9.992e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 8.833e-01
Temperature (°C) = 75.00
Pressure (atm) = 95.56
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
Total H = 1.109227e+02
Total O = 5.722642e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.648e-04 6.445e-04 -3.177 -3.191 -0.013 0.00
OH- 3.500e-10 3.389e-10 -9.456 -9.470 -0.014 -4.77
H2O 5.551e+01 9.857e-01 1.744 -0.006 0.000 18.40
C(-4) 5.171e-25
CH4 5.171e-25 5.172e-25 -24.286 -24.286 0.000 39.06
C(4) 8.833e-01
CO2 8.010e-01 8.010e-01 -0.096 -0.096 0.000 36.90
(CO2)2 4.082e-02 4.083e-02 -1.389 -1.389 0.000 73.80
HCO3- 6.648e-04 6.439e-04 -3.177 -3.191 -0.014 25.60
CO3-2 9.379e-11 8.258e-11 -10.028 -10.083 -0.055 -3.99
H(0) 2.181e-14
H2 1.090e-14 1.090e-14 -13.962 -13.962 0.000 28.53
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.698 -50.698 0.000 32.72
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 96 atm)
CH4(g) -21.22 -24.29 -3.07 CH4
CO2(g) 1.83 -0.10 -1.93 CO2 Pressure 94.7 atm, phi 0.714
H2(g) -10.79 -13.96 -3.17 H2
H2O(g) -0.40 -0.01 0.40 H2O Pressure 0.8 atm, phi 0.476
O2(g) -47.55 -50.70 -3.15 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 106.37 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.63e-01 liters/mole
P * Vm / RT: 0.60864 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.02 1.054e+02 0.687 5.117e+00 6.064e+00 9.464e-01
H2O(g) -0.03 9.337e-01 0.426 4.488e-02 5.370e-02 8.815e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.370e-01 9.361e-01
----------------------------Description of solution----------------------------
pH = 3.177 Charge balance
pe = 2.022 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 400
Density (g/cm³) = 0.98654
Volume (L) = 1.05442
Viscosity (mPa s) = 0.38959
Activity of water = 0.985
Ionic strength (mol/kgw) = 6.867e-04
Mass of water (kg) = 9.990e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 9.370e-01
Temperature (°C) = 75.00
Pressure (atm) = 106.37
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Total H = 1.109050e+02
Total O = 5.732475e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.867e-04 6.655e-04 -3.163 -3.177 -0.014 0.00
OH- 3.419e-10 3.308e-10 -9.466 -9.480 -0.014 -4.81
H2O 5.551e+01 9.848e-01 1.744 -0.007 0.000 18.39
C(-4) 3.067e-24
CH4 3.067e-24 3.068e-24 -23.513 -23.513 0.000 39.06
C(4) 9.370e-01
CO2 8.454e-01 8.455e-01 -0.073 -0.073 0.000 36.88
(CO2)2 4.548e-02 4.549e-02 -1.342 -1.342 0.000 73.77
HCO3- 6.867e-04 6.649e-04 -3.163 -3.177 -0.014 25.65
CO3-2 9.501e-11 8.349e-11 -10.022 -10.078 -0.056 -3.88
H(0) 3.332e-14
H2 1.666e-14 1.666e-14 -13.778 -13.778 0.000 28.53
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.076 -51.076 0.000 32.69
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 106 atm)
CH4(g) -20.44 -23.51 -3.08 CH4
CO2(g) 1.86 -0.07 -1.93 CO2 Pressure 105.4 atm, phi 0.687
H2(g) -10.60 -13.78 -3.18 H2
H2O(g) -0.40 -0.01 0.39 H2O Pressure 0.9 atm, phi 0.426
O2(g) -47.93 -51.08 -3.15 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 116.43 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.41e-01 liters/mole
P * Vm / RT: 0.57523 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.06 1.154e+02 0.662 6.064e+00 7.021e+00 9.571e-01
H2O(g) 0.02 1.046e+00 0.383 5.370e-02 6.365e-02 9.958e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.802e-01 9.790e-01
----------------------------Description of solution----------------------------
pH = 3.166 Charge balance
pe = 1.905 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 409
Density (g/cm³) = 0.98730
Volume (L) = 1.05534
Viscosity (mPa s) = 0.39026
Activity of water = 0.984
Ionic strength (mol/kgw) = 7.045e-04
Mass of water (kg) = 9.988e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 9.802e-01
Temperature (°C) = 75.00
Pressure (atm) = 116.43
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.108851e+02
Total O = 5.740062e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.045e-04 6.825e-04 -3.152 -3.166 -0.014 0.00
OH- 3.360e-10 3.251e-10 -9.474 -9.488 -0.014 -4.84
H2O 5.551e+01 9.842e-01 1.744 -0.007 0.000 18.38
C(-4) 3.318e-23
CH4 3.318e-23 3.318e-23 -22.479 -22.479 0.000 39.06
C(4) 9.802e-01
CO2 8.807e-01 8.808e-01 -0.055 -0.055 0.000 36.87
(CO2)2 4.936e-02 4.937e-02 -1.307 -1.307 0.000 73.73
HCO3- 7.045e-04 6.819e-04 -3.152 -3.166 -0.014 25.70
CO3-2 9.612e-11 8.434e-11 -10.017 -10.074 -0.057 -3.78
H(0) 5.940e-14
H2 2.970e-14 2.971e-14 -13.527 -13.527 0.000 28.52
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.587 -51.587 0.000 32.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 116 atm)
CH4(g) -19.40 -22.48 -3.08 CH4
CO2(g) 1.88 -0.06 -1.94 CO2 Pressure 115.4 atm, phi 0.662
H2(g) -10.34 -13.53 -3.18 H2
H2O(g) -0.40 -0.01 0.39 H2O Pressure 1.0 atm, phi 0.383
O2(g) -48.43 -51.59 -3.16 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 126.11 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.24e-01 liters/mole
P * Vm / RT: 0.54768 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.10 1.249e+02 0.640 7.021e+00 7.985e+00 9.642e-01
H2O(g) 0.07 1.170e+00 0.344 6.365e-02 7.477e-02 1.111e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.016e+00 1.015e+00
----------------------------Description of solution----------------------------
pH = 3.157 Charge balance
pe = 1.990 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 417
Density (g/cm³) = 0.98799
Volume (L) = 1.05600
Viscosity (mPa s) = 0.39085
Activity of water = 0.984
Ionic strength (mol/kgw) = 7.197e-04
Mass of water (kg) = 9.986e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.016e+00
Temperature (°C) = 75.00
Pressure (atm) = 126.11
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.108629e+02
Total O = 5.746111e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.197e-04 6.970e-04 -3.143 -3.157 -0.014 0.00
OH- 3.316e-10 3.207e-10 -9.479 -9.494 -0.015 -4.87
H2O 5.551e+01 9.836e-01 1.744 -0.007 0.000 18.38
C(-4) 8.335e-24
CH4 8.335e-24 8.336e-24 -23.079 -23.079 0.000 39.06
C(4) 1.016e+00
CO2 9.101e-01 9.102e-01 -0.041 -0.041 0.000 36.85
(CO2)2 5.270e-02 5.271e-02 -1.278 -1.278 0.000 73.70
HCO3- 7.197e-04 6.963e-04 -3.143 -3.157 -0.014 25.74
CO3-2 9.718e-11 8.517e-11 -10.012 -10.070 -0.057 -3.68
H(0) 4.144e-14
H2 2.072e-14 2.072e-14 -13.684 -13.684 0.000 28.52
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.282 -51.282 0.000 32.64
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 126 atm)
CH4(g) -19.99 -23.08 -3.09 CH4
CO2(g) 1.90 -0.04 -1.94 CO2 Pressure 124.9 atm, phi 0.640
H2(g) -10.50 -13.68 -3.19 H2
H2O(g) -0.40 -0.01 0.39 H2O Pressure 1.2 atm, phi 0.344
O2(g) -48.12 -51.28 -3.16 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 135.84 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.11e-01 liters/mole
P * Vm / RT: 0.52593 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.13 1.345e+02 0.618 7.985e+00 8.954e+00 9.687e-01
H2O(g) 0.12 1.308e+00 0.310 7.477e-02 8.703e-02 1.226e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.048e+00 1.046e+00
----------------------------Description of solution----------------------------
pH = 3.149 Charge balance
pe = 1.973 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 424
Density (g/cm³) = 0.98864
Volume (L) = 1.05647
Viscosity (mPa s) = 0.39141
Activity of water = 0.983
Ionic strength (mol/kgw) = 7.333e-04
Mass of water (kg) = 9.984e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.048e+00
Temperature (°C) = 75.00
Pressure (atm) = 135.84
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.108384e+02
Total O = 5.751152e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.333e-04 7.100e-04 -3.135 -3.149 -0.014 0.00
OH- 3.281e-10 3.172e-10 -9.484 -9.499 -0.015 -4.90
H2O 5.551e+01 9.831e-01 1.744 -0.007 0.000 18.37
C(-4) 1.345e-23
CH4 1.345e-23 1.345e-23 -22.871 -22.871 0.000 39.06
C(4) 1.048e+00
CO2 9.357e-01 9.358e-01 -0.029 -0.029 0.000 36.83
(CO2)2 5.571e-02 5.572e-02 -1.254 -1.254 0.000 73.66
HCO3- 7.333e-04 7.093e-04 -3.135 -3.149 -0.014 25.78
CO3-2 9.824e-11 8.600e-11 -10.008 -10.065 -0.058 -3.59
H(0) 4.607e-14
H2 2.304e-14 2.304e-14 -13.638 -13.638 0.000 28.51
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.383 -51.383 0.000 32.62
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 136 atm)
CH4(g) -19.78 -22.87 -3.09 CH4
CO2(g) 1.92 -0.03 -1.95 CO2 Pressure 134.5 atm, phi 0.618
H2(g) -10.45 -13.64 -3.19 H2
H2O(g) -0.39 -0.01 0.39 H2O Pressure 1.3 atm, phi 0.310
O2(g) -48.22 -51.38 -3.16 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 146.06 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.97e-02 liters/mole
P * Vm / RT: 0.50996 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.16 1.446e+02 0.598 8.954e+00 9.925e+00 9.712e-01
H2O(g) 0.17 1.463e+00 0.278 8.703e-02 1.004e-01 1.338e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.077e+00 1.075e+00
----------------------------Description of solution----------------------------
pH = 3.141 Charge balance
pe = 1.892 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 431
Density (g/cm³) = 0.98930
Volume (L) = 1.05681
Viscosity (mPa s) = 0.39196
Activity of water = 0.983
Ionic strength (mol/kgw) = 7.462e-04
Mass of water (kg) = 9.982e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.077e+00
Temperature (°C) = 75.00
Pressure (atm) = 146.06
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 22
Total H = 1.108116e+02
Total O = 5.755578e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.462e-04 7.224e-04 -3.127 -3.141 -0.014 0.00
OH- 3.252e-10 3.143e-10 -9.488 -9.503 -0.015 -4.94
H2O 5.551e+01 9.827e-01 1.744 -0.008 0.000 18.36
C(-4) 6.912e-23
CH4 6.912e-23 6.913e-23 -22.160 -22.160 0.000 39.05
C(4) 1.077e+00
CO2 9.591e-01 9.592e-01 -0.018 -0.018 0.000 36.81
(CO2)2 5.854e-02 5.855e-02 -1.233 -1.232 0.000 73.63
HCO3- 7.462e-04 7.216e-04 -3.127 -3.142 -0.015 25.82
CO3-2 9.935e-11 8.688e-11 -10.003 -10.061 -0.058 -3.49
H(0) 6.847e-14
H2 3.423e-14 3.424e-14 -13.466 -13.465 0.000 28.51
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.735 -51.735 0.000 32.59
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 146 atm)
CH4(g) -19.06 -22.16 -3.10 CH4
CO2(g) 1.94 -0.02 -1.95 CO2 Pressure 144.6 atm, phi 0.598
H2(g) -10.27 -13.47 -3.20 H2
H2O(g) -0.39 -0.01 0.38 H2O Pressure 1.5 atm, phi 0.278
O2(g) -48.57 -51.74 -3.17 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 157.24 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.08e-02 liters/mole
P * Vm / RT: 0.49981 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.19 1.556e+02 0.577 9.925e+00 1.090e+01 9.722e-01
H2O(g) 0.21 1.640e+00 0.250 1.004e-01 1.149e-01 1.446e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.105e+00 1.103e+00
----------------------------Description of solution----------------------------
pH = 3.134 Charge balance
pe = 2.032 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 437
Density (g/cm³) = 0.98999
Volume (L) = 1.05704
Viscosity (mPa s) = 0.39252
Activity of water = 0.982
Ionic strength (mol/kgw) = 7.592e-04
Mass of water (kg) = 9.979e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.105e+00
Temperature (°C) = 75.00
Pressure (atm) = 157.24
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.107827e+02
Total O = 5.759684e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.591e-04 7.347e-04 -3.120 -3.134 -0.014 0.00
OH- 3.226e-10 3.117e-10 -9.491 -9.506 -0.015 -4.97
H2O 5.551e+01 9.822e-01 1.744 -0.008 0.000 18.35
C(-4) 6.070e-24
CH4 6.070e-24 6.071e-24 -23.217 -23.217 0.000 39.05
C(4) 1.105e+00
CO2 9.817e-01 9.818e-01 -0.008 -0.008 0.000 36.79
(CO2)2 6.132e-02 6.133e-02 -1.212 -1.212 0.000 73.59
HCO3- 7.592e-04 7.339e-04 -3.120 -3.134 -0.015 25.87
CO3-2 1.006e-10 8.786e-11 -9.998 -10.056 -0.059 -3.38
H(0) 3.678e-14
H2 1.839e-14 1.839e-14 -13.735 -13.735 0.000 28.50
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.205 -51.205 0.000 32.56
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 157 atm)
CH4(g) -20.11 -23.22 -3.11 CH4
CO2(g) 1.95 -0.01 -1.96 CO2 Pressure 155.6 atm, phi 0.577
H2(g) -10.53 -13.74 -3.20 H2
H2O(g) -0.39 -0.01 0.38 H2O Pressure 1.6 atm, phi 0.250
O2(g) -48.03 -51.20 -3.18 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 169.89 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.33e-02 liters/mole
P * Vm / RT: 0.49557 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.23 1.680e+02 0.555 1.090e+01 1.187e+01 9.722e-01
H2O(g) 0.27 1.845e+00 0.224 1.149e-01 1.303e-01 1.547e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.133e+00 1.131e+00
----------------------------Description of solution----------------------------
pH = 3.126 Charge balance
pe = 2.120 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 444
Density (g/cm³) = 0.99075
Volume (L) = 1.05719
Viscosity (mPa s) = 0.39313
Activity of water = 0.982
Ionic strength (mol/kgw) = 7.726e-04
Mass of water (kg) = 9.976e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.133e+00
Temperature (°C) = 75.00
Pressure (atm) = 169.89
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
Total H = 1.107517e+02
Total O = 5.763695e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.726e-04 7.475e-04 -3.112 -3.126 -0.014 0.00
OH- 3.204e-10 3.095e-10 -9.494 -9.509 -0.015 -5.01
H2O 5.551e+01 9.818e-01 1.744 -0.008 0.000 18.34
C(-4) 1.408e-24
CH4 1.408e-24 1.408e-24 -23.852 -23.851 0.000 39.05
C(4) 1.133e+00
CO2 1.004e+00 1.004e+00 0.002 0.002 0.000 36.77
(CO2)2 6.416e-02 6.417e-02 -1.193 -1.193 0.000 73.54
HCO3- 7.726e-04 7.468e-04 -3.112 -3.127 -0.015 25.92
CO3-2 1.019e-10 8.896e-11 -9.992 -10.051 -0.059 -3.26
H(0) 2.516e-14
H2 1.258e-14 1.258e-14 -13.900 -13.900 0.000 28.50
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.886 -50.886 0.000 32.53
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 170 atm)
CH4(g) -20.74 -23.85 -3.11 CH4
CO2(g) 1.97 0.00 -1.97 CO2 Pressure 168.0 atm, phi 0.555
H2(g) -10.69 -13.90 -3.21 H2
H2O(g) -0.38 -0.01 0.38 H2O Pressure 1.8 atm, phi 0.224
O2(g) -47.70 -50.89 -3.18 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 184.57 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.70e-02 liters/mole
P * Vm / RT: 0.49743 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.26 1.825e+02 0.533 1.187e+01 1.284e+01 9.714e-01
H2O(g) 0.32 2.085e+00 0.200 1.303e-01 1.467e-01 1.639e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.162e+00 1.159e+00
----------------------------Description of solution----------------------------
pH = 3.118 Charge balance
pe = 3.464 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 452
Density (g/cm³) = 0.99159
Volume (L) = 1.05726
Viscosity (mPa s) = 0.39381
Activity of water = 0.981
Ionic strength (mol/kgw) = 7.871e-04
Mass of water (kg) = 9.973e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.162e+00
Temperature (°C) = 75.00
Pressure (atm) = 184.57
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.107190e+02
Total O = 5.767786e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.871e-04 7.614e-04 -3.104 -3.118 -0.014 0.00
OH- 3.184e-10 3.074e-10 -9.497 -9.512 -0.015 -5.05
H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 18.33
C(-4) 2.882e-35
CH4 2.882e-35 2.882e-35 -34.540 -34.540 0.000 39.05
C(4) 1.162e+00
CO2 1.027e+00 1.027e+00 0.012 0.012 0.000 36.75
(CO2)2 6.714e-02 6.716e-02 -1.173 -1.173 0.000 73.49
HCO3- 7.871e-04 7.606e-04 -3.104 -3.119 -0.015 25.99
CO3-2 1.035e-10 9.026e-11 -9.985 -10.045 -0.060 -3.12
H(0) 5.270e-17
H2 2.635e-17 2.635e-17 -16.579 -16.579 0.000 28.49
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.540 -45.540 0.000 32.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 185 atm)
CH4(g) -31.42 -34.54 -3.12 CH4
CO2(g) 1.99 0.01 -1.98 CO2 Pressure 182.5 atm, phi 0.533
H2(g) -13.37 -16.58 -3.21 H2
H2O(g) -0.38 -0.01 0.37 H2O Pressure 2.1 atm, phi 0.200
O2(g) -42.35 -45.54 -3.19 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 201.89 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.16e-02 liters/mole
P * Vm / RT: 0.50567 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.30 1.995e+02 0.510 1.284e+01 1.381e+01 9.699e-01
H2O(g) 0.37 2.368e+00 0.178 1.467e-01 1.639e-01 1.719e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.193e+00 1.189e+00
----------------------------Description of solution----------------------------
pH = 3.110 Charge balance
pe = 2.207 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 460
Density (g/cm³) = 0.99256
Volume (L) = 1.05726
Viscosity (mPa s) = 0.39457
Activity of water = 0.981
Ionic strength (mol/kgw) = 8.031e-04
Mass of water (kg) = 9.970e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.193e+00
Temperature (°C) = 75.00
Pressure (atm) = 201.89
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29
Total H = 1.106846e+02
Total O = 5.772096e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.031e-04 7.766e-04 -3.095 -3.110 -0.015 0.00
OH- 3.166e-10 3.056e-10 -9.499 -9.515 -0.015 -5.11
H2O 5.551e+01 9.809e-01 1.744 -0.008 0.000 18.32
C(-4) 3.851e-25
CH4 3.851e-25 3.852e-25 -24.414 -24.414 0.000 39.04
C(4) 1.193e+00
CO2 1.051e+00 1.052e+00 0.022 0.022 0.000 36.72
(CO2)2 7.034e-02 7.035e-02 -1.153 -1.153 0.000 73.43
HCO3- 8.031e-04 7.758e-04 -3.095 -3.110 -0.015 26.06
CO3-2 1.054e-10 9.180e-11 -9.977 -10.037 -0.060 -2.95
H(0) 1.761e-14
H2 8.805e-15 8.806e-15 -14.055 -14.055 0.000 28.49
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.602 -50.602 0.000 32.45
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 202 atm)
CH4(g) -21.28 -24.41 -3.13 CH4
CO2(g) 2.01 0.02 -1.99 CO2 Pressure 199.5 atm, phi 0.510
H2(g) -10.84 -14.06 -3.22 H2
H2O(g) -0.38 -0.01 0.37 H2O Pressure 2.4 atm, phi 0.178
O2(g) -47.40 -50.60 -3.20 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 222.54 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.68e-02 liters/mole
P * Vm / RT: 0.52068 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.34 2.198e+02 0.487 1.381e+01 1.478e+01 9.679e-01
H2O(g) 0.43 2.704e+00 0.158 1.639e-01 1.818e-01 1.784e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.226e+00 1.221e+00
----------------------------Description of solution----------------------------
pH = 3.100 Charge balance
pe = 2.526 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 469
Density (g/cm³) = 0.99369
Volume (L) = 1.05716
Viscosity (mPa s) = 0.39545
Activity of water = 0.980
Ionic strength (mol/kgw) = 8.210e-04
Mass of water (kg) = 9.967e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.226e+00
Temperature (°C) = 75.00
Pressure (atm) = 222.54
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 52
Total H = 1.106489e+02
Total O = 5.776739e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.210e-04 7.937e-04 -3.086 -3.100 -0.015 0.00
OH- 3.151e-10 3.041e-10 -9.502 -9.517 -0.015 -5.17
H2O 5.551e+01 9.804e-01 1.744 -0.009 0.000 18.30
C(-4) 1.271e-27
CH4 1.271e-27 1.271e-27 -26.896 -26.896 0.000 39.04
C(4) 1.226e+00
CO2 1.077e+00 1.077e+00 0.032 0.032 0.000 36.68
(CO2)2 7.382e-02 7.383e-02 -1.132 -1.132 0.000 73.37
HCO3- 8.210e-04 7.928e-04 -3.086 -3.101 -0.015 26.14
CO3-2 1.077e-10 9.367e-11 -9.968 -10.028 -0.061 -2.76
H(0) 4.138e-15
H2 2.069e-15 2.069e-15 -14.684 -14.684 0.000 28.48
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -49.361 -49.361 0.000 32.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 223 atm)
CH4(g) -23.75 -26.90 -3.14 CH4
CO2(g) 2.03 0.03 -2.00 CO2 Pressure 219.8 atm, phi 0.487
H2(g) -11.46 -14.68 -3.23 H2
H2O(g) -0.37 -0.01 0.36 H2O Pressure 2.7 atm, phi 0.158
O2(g) -46.15 -49.36 -3.21 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 247.32 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.27e-02 liters/mole
P * Vm / RT: 0.54296 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.39 2.442e+02 0.464 1.478e+01 1.574e+01 9.655e-01
H2O(g) 0.49 3.103e+00 0.140 1.818e-01 2.001e-01 1.830e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.261e+00 1.256e+00
----------------------------Description of solution----------------------------
pH = 3.090 Charge balance
pe = 2.114 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 480
Density (g/cm³) = 0.99500
Volume (L) = 1.05696
Viscosity (mPa s) = 0.39647
Activity of water = 0.980
Ionic strength (mol/kgw) = 8.413e-04
Mass of water (kg) = 9.964e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.261e+00
Temperature (°C) = 75.00
Pressure (atm) = 247.32
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 60
Total H = 1.106123e+02
Total O = 5.781815e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.413e-04 8.131e-04 -3.075 -3.090 -0.015 0.00
OH- 3.140e-10 3.030e-10 -9.503 -9.519 -0.016 -5.24
H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 18.28
C(-4) 3.034e-24
CH4 3.034e-24 3.035e-24 -23.518 -23.518 0.000 39.03
C(4) 1.261e+00
CO2 1.104e+00 1.105e+00 0.043 0.043 0.000 36.64
(CO2)2 7.762e-02 7.764e-02 -1.110 -1.110 0.000 73.28
HCO3- 8.413e-04 8.122e-04 -3.075 -3.090 -0.015 26.24
CO3-2 1.105e-10 9.594e-11 -9.957 -10.018 -0.061 -2.53
H(0) 2.827e-14
H2 1.414e-14 1.414e-14 -13.850 -13.850 0.000 28.47
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.050 -51.050 0.000 32.34
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 247 atm)
CH4(g) -20.36 -23.52 -3.16 CH4
CO2(g) 2.05 0.04 -2.01 CO2 Pressure 244.2 atm, phi 0.464
H2(g) -10.61 -13.85 -3.24 H2
H2O(g) -0.36 -0.01 0.35 H2O Pressure 3.1 atm, phi 0.140
O2(g) -47.83 -51.05 -3.22 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 277.14 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.91e-02 liters/mole
P * Vm / RT: 0.57315 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.44 2.736e+02 0.441 1.574e+01 1.671e+01 9.628e-01
H2O(g) 0.55 3.579e+00 0.123 2.001e-01 2.186e-01 1.854e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.298e+00 1.293e+00
----------------------------Description of solution----------------------------
pH = 3.078 Charge balance
pe = 2.037 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 492
Density (g/cm³) = 0.99654
Volume (L) = 1.05664
Viscosity (mPa s) = 0.39765
Activity of water = 0.979
Ionic strength (mol/kgw) = 8.646e-04
Mass of water (kg) = 9.960e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.298e+00
Temperature (°C) = 75.00
Pressure (atm) = 277.14
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 67
Total H = 1.105752e+02
Total O = 5.787410e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.646e-04 8.353e-04 -3.063 -3.078 -0.015 0.00
OH- 3.134e-10 3.023e-10 -9.504 -9.520 -0.016 -5.33
H2O 5.551e+01 9.793e-01 1.744 -0.009 0.000 18.26
C(-4) 1.546e-23
CH4 1.546e-23 1.547e-23 -22.811 -22.811 0.000 39.03
C(4) 1.298e+00
CO2 1.134e+00 1.134e+00 0.055 0.055 0.000 36.59
(CO2)2 8.181e-02 8.183e-02 -1.087 -1.087 0.000 73.19
HCO3- 8.646e-04 8.343e-04 -3.063 -3.079 -0.015 26.36
CO3-2 1.139e-10 9.872e-11 -9.944 -10.006 -0.062 -2.26
H(0) 4.138e-14
H2 2.069e-14 2.069e-14 -13.684 -13.684 0.000 28.45
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.405 -51.405 0.000 32.27
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 277 atm)
CH4(g) -19.63 -22.81 -3.18 CH4
CO2(g) 2.08 0.05 -2.03 CO2 Pressure 273.6 atm, phi 0.441
H2(g) -10.43 -13.68 -3.25 H2
H2O(g) -0.36 -0.01 0.35 H2O Pressure 3.6 atm, phi 0.123
O2(g) -48.17 -51.41 -3.23 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 313.08 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.59e-02 liters/mole
P * Vm / RT: 0.61208 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.49 3.089e+02 0.420 1.671e+01 1.767e+01 9.598e-01
H2O(g) 0.62 4.146e+00 0.109 2.186e-01 2.371e-01 1.851e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.339e+00 1.333e+00
----------------------------Description of solution----------------------------
pH = 3.065 Charge balance
pe = 2.051 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 506
Density (g/cm³) = 0.99835
Volume (L) = 1.05616
Viscosity (mPa s) = 0.39904
Activity of water = 0.979
Ionic strength (mol/kgw) = 8.914e-04
Mass of water (kg) = 9.957e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.339e+00
Temperature (°C) = 75.00
Pressure (atm) = 313.08
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 76
Total H = 1.105382e+02
Total O = 5.793600e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.914e-04 8.608e-04 -3.050 -3.065 -0.015 0.00
OH- 3.135e-10 3.022e-10 -9.504 -9.520 -0.016 -5.43
H2O 5.551e+01 9.787e-01 1.744 -0.009 0.000 18.23
C(-4) 1.488e-23
CH4 1.488e-23 1.488e-23 -22.828 -22.827 0.000 39.02
C(4) 1.339e+00
CO2 1.165e+00 1.166e+00 0.066 0.067 0.000 36.53
(CO2)2 8.643e-02 8.645e-02 -1.063 -1.063 0.000 73.07
HCO3- 8.914e-04 8.598e-04 -3.050 -3.066 -0.016 26.50
CO3-2 1.180e-10 1.021e-10 -9.928 -9.991 -0.063 -1.94
H(0) 3.975e-14
H2 1.987e-14 1.988e-14 -13.702 -13.702 0.000 28.44
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.399 -51.399 0.000 32.18
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 313 atm)
CH4(g) -19.63 -22.83 -3.20 CH4
CO2(g) 2.11 0.07 -2.05 CO2 Pressure 308.9 atm, phi 0.420
H2(g) -10.43 -13.70 -3.27 H2
H2O(g) -0.35 -0.01 0.34 H2O Pressure 4.1 atm, phi 0.109
O2(g) -48.15 -51.40 -3.25 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 356.38 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.30e-02 liters/mole
P * Vm / RT: 0.66077 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.55 3.516e+02 0.401 1.767e+01 1.862e+01 9.566e-01
H2O(g) 0.68 4.819e+00 0.096 2.371e-01 2.553e-01 1.819e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.383e+00 1.377e+00
----------------------------Description of solution----------------------------
pH = 3.050 Charge balance
pe = 2.124 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 522
Density (g/cm³) = 1.00048
Volume (L) = 1.05549
Viscosity (mPa s) = 0.40068
Activity of water = 0.978
Ionic strength (mol/kgw) = 9.224e-04
Mass of water (kg) = 9.954e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.383e+00
Temperature (°C) = 75.00
Pressure (atm) = 356.38
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 85
Total H = 1.105018e+02
Total O = 5.800454e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.224e-04 8.903e-04 -3.035 -3.050 -0.015 0.00
OH- 3.144e-10 3.029e-10 -9.502 -9.519 -0.016 -5.54
H2O 5.551e+01 9.780e-01 1.744 -0.010 0.000 18.20
C(-4) 4.894e-24
CH4 4.894e-24 4.895e-24 -23.310 -23.310 0.000 39.01
C(4) 1.383e+00
CO2 1.199e+00 1.199e+00 0.079 0.079 0.000 36.47
(CO2)2 9.152e-02 9.154e-02 -1.038 -1.038 0.000 72.93
HCO3- 9.224e-04 8.892e-04 -3.035 -3.051 -0.016 26.67
CO3-2 1.231e-10 1.064e-10 -9.910 -9.973 -0.064 -1.57
H(0) 2.905e-14
H2 1.452e-14 1.453e-14 -13.838 -13.838 0.000 28.42
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.162 -51.162 0.000 32.08
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 356 atm)
CH4(g) -20.09 -23.31 -3.22 CH4
CO2(g) 2.15 0.08 -2.07 CO2 Pressure 351.6 atm, phi 0.401
H2(g) -10.55 -13.84 -3.29 H2
H2O(g) -0.33 -0.01 0.32 H2O Pressure 4.8 atm, phi 0.096
O2(g) -47.89 -51.16 -3.27 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 408.56 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.04e-02 liters/mole
P * Vm / RT: 0.72047 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.61 4.029e+02 0.385 1.862e+01 1.958e+01 9.533e-01
H2O(g) 0.75 5.616e+00 0.085 2.553e-01 2.728e-01 1.752e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.431e+00 1.423e+00
----------------------------Description of solution----------------------------
pH = 3.034 Charge balance
pe = 2.027 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 541
Density (g/cm³) = 1.00298
Volume (L) = 1.05459
Viscosity (mPa s) = 0.40260
Activity of water = 0.977
Ionic strength (mol/kgw) = 9.585e-04
Mass of water (kg) = 9.951e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.431e+00
Temperature (°C) = 75.00
Pressure (atm) = 408.56
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 96
Total H = 1.104668e+02
Total O = 5.808036e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.585e-04 9.247e-04 -3.018 -3.034 -0.016 0.00
OH- 3.166e-10 3.048e-10 -9.500 -9.516 -0.016 -5.68
H2O 5.551e+01 9.773e-01 1.744 -0.010 0.000 18.16
C(-4) 3.786e-23
CH4 3.786e-23 3.787e-23 -22.422 -22.422 0.000 39.00
C(4) 1.431e+00
CO2 1.235e+00 1.236e+00 0.092 0.092 0.000 36.39
(CO2)2 9.711e-02 9.713e-02 -1.013 -1.013 0.000 72.77
HCO3- 9.585e-04 9.235e-04 -3.018 -3.035 -0.016 26.86
CO3-2 1.295e-10 1.116e-10 -9.888 -9.952 -0.065 -1.13
H(0) 4.647e-14
H2 2.323e-14 2.324e-14 -13.634 -13.634 0.000 28.40
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.612 -51.612 0.000 31.97
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 409 atm)
CH4(g) -19.17 -22.42 -3.25 CH4
CO2(g) 2.19 0.09 -2.10 CO2 Pressure 402.9 atm, phi 0.385
H2(g) -10.33 -13.63 -3.31 H2
H2O(g) -0.32 -0.01 0.31 H2O Pressure 5.6 atm, phi 0.085
O2(g) -48.32 -51.61 -3.30 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 471.44 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.80e-02 liters/mole
P * Vm / RT: 0.79276 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.67 4.649e+02 0.372 1.958e+01 2.053e+01 9.500e-01
H2O(g) 0.82 6.552e+00 0.076 2.728e-01 2.893e-01 1.646e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.481e+00 1.474e+00
----------------------------Description of solution----------------------------
pH = 3.016 Charge balance
pe = 1.964 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 563
Density (g/cm³) = 1.00591
Volume (L) = 1.05341
Viscosity (mPa s) = 0.40487
Activity of water = 0.977
Ionic strength (mol/kgw) = 1.001e-03
Mass of water (kg) = 9.948e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.481e+00
Temperature (°C) = 75.00
Pressure (atm) = 471.44
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 38 (139 overall)
Total H = 1.104339e+02
Total O = 5.816398e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.001e-03 9.647e-04 -3.000 -3.016 -0.016 0.00
OH- 3.203e-10 3.082e-10 -9.494 -9.511 -0.017 -5.84
H2O 5.551e+01 9.766e-01 1.744 -0.010 0.000 18.11
C(-4) 1.603e-22
CH4 1.603e-22 1.603e-22 -21.795 -21.795 0.000 38.98
C(4) 1.481e+00
CO2 1.274e+00 1.274e+00 0.105 0.105 0.000 36.29
(CO2)2 1.032e-01 1.033e-01 -0.986 -0.986 0.000 72.58
HCO3- 1.001e-03 9.634e-04 -3.000 -3.016 -0.016 27.09
CO3-2 1.374e-10 1.181e-10 -9.862 -9.928 -0.066 -0.62
H(0) 6.347e-14
H2 3.174e-14 3.174e-14 -13.498 -13.498 0.000 28.38
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.933 -51.933 0.000 31.83
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 471 atm)
CH4(g) -18.50 -21.79 -3.29 CH4
CO2(g) 2.24 0.11 -2.13 CO2 Pressure 464.9 atm, phi 0.372
H2(g) -10.16 -13.50 -3.34 H2
H2O(g) -0.30 -0.01 0.29 H2O Pressure 6.6 atm, phi 0.076
O2(g) -48.61 -51.93 -3.33 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 24.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 547.25 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.59e-02 liters/mole
P * Vm / RT: 0.87960 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.73 5.396e+02 0.364 2.053e+01 2.147e+01 9.466e-01
H2O(g) 0.88 7.646e+00 0.068 2.893e-01 3.042e-01 1.496e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.535e+00 1.527e+00
----------------------------Description of solution----------------------------
pH = 2.995 Charge balance
pe = 2.055 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 589
Density (g/cm³) = 1.00936
Volume (L) = 1.05188
Viscosity (mPa s) = 0.40755
Activity of water = 0.976
Ionic strength (mol/kgw) = 1.050e-03
Mass of water (kg) = 9.945e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.535e+00
Temperature (°C) = 75.00
Pressure (atm) = 547.25
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.104039e+02
Total O = 5.825586e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.050e-03 1.012e-03 -2.979 -2.995 -0.016 0.00
OH- 3.262e-10 3.137e-10 -9.486 -9.504 -0.017 -6.01
H2O 5.551e+01 9.757e-01 1.744 -0.011 0.000 18.05
C(-4) 4.146e-23
CH4 4.146e-23 4.147e-23 -22.382 -22.382 0.000 38.96
C(4) 1.535e+00
CO2 1.314e+00 1.315e+00 0.119 0.119 0.000 36.18
(CO2)2 1.099e-01 1.100e-01 -0.959 -0.959 0.000 72.36
HCO3- 1.050e-03 1.010e-03 -2.979 -2.996 -0.017 27.35
CO3-2 1.474e-10 1.263e-10 -9.832 -9.899 -0.067 -0.02
H(0) 4.274e-14
H2 2.137e-14 2.138e-14 -13.670 -13.670 0.000 28.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.650 -51.650 0.000 31.68
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 547 atm)
CH4(g) -19.05 -22.38 -3.34 CH4
CO2(g) 2.29 0.12 -2.17 CO2 Pressure 539.6 atm, phi 0.364
H2(g) -10.30 -13.67 -3.37 H2
H2O(g) -0.28 -0.01 0.27 H2O Pressure 7.6 atm, phi 0.068
O2(g) -48.29 -51.65 -3.36 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 25.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 638.75 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.40e-02 liters/mole
P * Vm / RT: 0.98348 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.80 6.298e+02 0.360 2.147e+01 2.242e+01 9.433e-01
H2O(g) 0.95 8.913e+00 0.062 3.042e-01 3.172e-01 1.297e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.593e+00 1.584e+00
----------------------------Description of solution----------------------------
pH = 2.972 Charge balance
pe = 12.035 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 619
Density (g/cm³) = 1.01339
Volume (L) = 1.04992
Viscosity (mPa s) = 0.41074
Activity of water = 0.975
Ionic strength (mol/kgw) = 1.108e-03
Mass of water (kg) = 9.943e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.593e+00
Temperature (°C) = 75.00
Pressure (atm) = 638.75
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 87 (188 overall)
Total H = 1.103780e+02
Total O = 5.835630e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.108e-03 1.067e-03 -2.955 -2.972 -0.016 0.00
OH- 3.351e-10 3.220e-10 -9.475 -9.492 -0.017 -6.22
H2O 5.551e+01 9.749e-01 1.744 -0.011 0.000 17.99
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -102.078 -102.078 0.000 38.94
C(4) 1.593e+00
CO2 1.357e+00 1.357e+00 0.133 0.133 0.000 36.05
(CO2)2 1.172e-01 1.173e-01 -0.931 -0.931 0.000 72.11
HCO3- 1.108e-03 1.065e-03 -2.955 -2.973 -0.017 27.65
CO3-2 1.600e-10 1.367e-10 -9.796 -9.864 -0.068 0.66
H(0) 4.759e-34
H2 2.380e-34 2.380e-34 -33.624 -33.623 0.000 28.33
O(0) 3.058e-12
O2 1.529e-12 1.529e-12 -11.816 -11.815 0.000 31.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 639 atm)
CH4(g) -98.69 -102.08 -3.39 CH4
CO2(g) 2.36 0.13 -2.22 CO2 Pressure 629.8 atm, phi 0.360
H2(g) -30.22 -33.62 -3.41 H2
H2O(g) -0.26 -0.01 0.25 H2O Pressure 8.9 atm, phi 0.062
O2(g) -8.41 -11.82 -3.40 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 26.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 749.41 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.22e-02 liters/mole
P * Vm / RT: 1.10755 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.87 7.390e+02 0.363 2.242e+01 2.336e+01 9.402e-01
H2O(g) 1.02 1.037e+01 0.057 3.172e-01 3.276e-01 1.043e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.653e+00 1.643e+00
----------------------------Description of solution----------------------------
pH = 2.946 Charge balance
pe = 12.581 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 655
Density (g/cm³) = 1.01812
Volume (L) = 1.04745
Viscosity (mPa s) = 0.41455
Activity of water = 0.974
Ionic strength (mol/kgw) = 1.177e-03
Mass of water (kg) = 9.941e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.653e+00
Temperature (°C) = 75.00
Pressure (atm) = 749.41
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 44 (145 overall)
Total H = 1.103572e+02
Total O = 5.846543e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.177e-03 1.132e-03 -2.929 -2.946 -0.017 0.00
OH- 3.482e-10 3.342e-10 -9.458 -9.476 -0.018 -6.45
H2O 5.551e+01 9.740e-01 1.744 -0.011 0.000 17.91
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.294 -106.294 0.000 38.91
C(4) 1.653e+00
CO2 1.402e+00 1.402e+00 0.147 0.147 0.000 35.91
(CO2)2 1.251e-01 1.251e-01 -0.903 -0.903 0.000 71.82
HCO3- 1.177e-03 1.131e-03 -2.929 -2.947 -0.017 27.99
CO3-2 1.762e-10 1.500e-10 -9.754 -9.824 -0.070 1.44
H(0) 3.879e-35
H2 1.940e-35 1.940e-35 -34.712 -34.712 0.000 28.29
O(0) 3.764e-10
O2 1.882e-10 1.883e-10 -9.725 -9.725 0.000 31.30
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 749 atm)
CH4(g) -102.84 -106.29 -3.46 CH4
CO2(g) 2.43 0.15 -2.28 CO2 Pressure 739.0 atm, phi 0.363
H2(g) -31.26 -34.71 -3.45 H2
H2O(g) -0.23 -0.01 0.22 H2O Pressure 10.4 atm, phi 0.057
O2(g) -6.27 -9.73 -3.45 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 27.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 883.67 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.06e-02 liters/mole
P * Vm / RT: 1.25587 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.94 8.717e+02 0.375 2.336e+01 2.429e+01 9.375e-01
H2O(g) 1.08 1.202e+01 0.053 3.276e-01 3.349e-01 7.291e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.716e+00 1.706e+00
----------------------------Description of solution----------------------------
pH = 2.917 Charge balance
pe = 12.608 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 698
Density (g/cm³) = 1.02365
Volume (L) = 1.04435
Viscosity (mPa s) = 0.41911
Activity of water = 0.973
Ionic strength (mol/kgw) = 1.259e-03
Mass of water (kg) = 9.939e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.716e+00
Temperature (°C) = 75.00
Pressure (atm) = 883.67
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.103426e+02
Total O = 5.858312e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.259e-03 1.210e-03 -2.900 -2.917 -0.017 0.00
OH- 3.673e-10 3.521e-10 -9.435 -9.453 -0.018 -6.70
H2O 5.551e+01 9.731e-01 1.744 -0.012 0.000 17.82
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.340 -106.340 0.000 38.88
C(4) 1.716e+00
CO2 1.448e+00 1.448e+00 0.161 0.161 0.000 35.74
(CO2)2 1.335e-01 1.335e-01 -0.875 -0.875 0.000 71.48
HCO3- 1.259e-03 1.208e-03 -2.900 -2.918 -0.018 28.38
CO3-2 1.974e-10 1.673e-10 -9.705 -9.776 -0.072 2.33
H(0) 3.436e-35
H2 1.718e-35 1.718e-35 -34.765 -34.765 0.000 28.26
O(0) 3.765e-10
O2 1.882e-10 1.883e-10 -9.725 -9.725 0.000 31.07
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 884 atm)
CH4(g) -102.81 -106.34 -3.53 CH4
CO2(g) 2.51 0.16 -2.35 CO2 Pressure 871.7 atm, phi 0.375
H2(g) -31.25 -34.76 -3.51 H2
H2O(g) -0.20 -0.01 0.18 H2O Pressure 12.0 atm, phi 0.053
O2(g) -6.21 -9.73 -3.52 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 28.
Using solution 1.
Using gas phase 1.
Using temperature 3.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1047.32 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.91e-02 liters/mole
P * Vm / RT: 1.43380 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.01 1.033e+03 0.398 2.429e+01 2.523e+01 9.354e-01
H2O(g) 1.14 1.386e+01 0.051 3.349e-01 3.384e-01 3.493e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.781e+00 1.771e+00
----------------------------Description of solution----------------------------
pH = 2.885 Charge balance
pe = 12.638 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 75°C) = 749
Density (g/cm³) = 1.03011
Volume (L) = 1.04050
Viscosity (mPa s) = 0.42463
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.357e-03
Mass of water (kg) = 9.939e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.781e+00
Temperature (°C) = 75.00
Pressure (atm) = 1047.32
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 37 (138 overall)
Total H = 1.103356e+02
Total O = 5.870889e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.357e-03 1.303e-03 -2.867 -2.885 -0.018 0.00
OH- 3.950e-10 3.783e-10 -9.403 -9.422 -0.019 -6.98
H2O 5.551e+01 9.721e-01 1.744 -0.012 0.000 17.72
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -106.398 -106.398 0.000 38.84
C(4) 1.781e+00
CO2 1.495e+00 1.496e+00 0.175 0.175 0.000 35.55
(CO2)2 1.423e-01 1.424e-01 -0.847 -0.847 0.000 71.10
HCO3- 1.357e-03 1.301e-03 -2.867 -2.886 -0.018 28.83
CO3-2 2.254e-10 1.903e-10 -9.647 -9.721 -0.074 3.34
H(0) 2.965e-35
H2 1.482e-35 1.483e-35 -34.829 -34.829 0.000 28.21
O(0) 3.765e-10
O2 1.882e-10 1.883e-10 -9.725 -9.725 0.000 30.82
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(348 K, 1047 atm)
CH4(g) -102.77 -106.40 -3.63 CH4
CO2(g) 2.61 0.17 -2.44 CO2 Pressure 1033.5 atm, phi 0.398
H2(g) -31.25 -34.83 -3.58 H2
H2O(g) -0.15 -0.01 0.14 H2O Pressure 13.9 atm, phi 0.051
O2(g) -6.14 -9.73 -3.59 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
USE solution 1
USE gas_phase 1
REACTION
CO2 1
0 28*1
REACTION_TEMPERATURE 4
100
USER_GRAPH 2
-active true
END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.00 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.04e+01 liters/mole
P * Vm / RT: 0.99132 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) -99.99 0.000e+00 0.398 0.000e+00 0.000e+00 0.000e+00
H2O(g) -0.00 9.971e-01 0.991 0.000e+00 3.285e-02 3.285e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 6.120 Charge balance
pe = 6.806 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 0
Density (g/cm³) = 0.95835
Volume (L) = 1.04285
Viscosity (mPa s) = 0.28158
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.610e-07
Mass of water (kg) = 9.994e-01
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 100.00
Pressure (atm) = 1.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.08
Iterations = 23
Total H = 1.109467e+02
Total O = 5.547337e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 7.616e-07 7.607e-07 -6.118 -6.119 -0.001 -5.96
H+ 7.604e-07 7.594e-07 -6.119 -6.120 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.80
H(0) 1.098e-29
H2 5.491e-30 5.491e-30 -29.260 -29.260 0.000 28.57
O(0) 2.746e-15
O2 1.373e-15 1.373e-15 -14.862 -14.862 0.000 33.90
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 1 atm)
H2(g) -26.16 -29.26 -3.10 H2
H2O(g) -0.00 -0.00 0.00 H2O Pressure 1.0 atm, phi 0.991
O2(g) -11.75 -14.86 -3.11 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 23.39 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.22e+00 liters/mole
P * Vm / RT: 0.93368 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.35 2.225e+01 0.939 0.000e+00 7.783e-01 7.783e-01
H2O(g) 0.06 1.139e+00 0.877 3.285e-02 3.984e-02 6.990e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.218e-01 2.217e-01
----------------------------Description of solution----------------------------
pH = 3.544 Charge balance
pe = 9.385 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 205
Density (g/cm³) = 0.96086
Volume (L) = 1.05014
Viscosity (mPa s) = 0.28374
Activity of water = 0.996
Ionic strength (mol/kgw) = 2.920e-04
Mass of water (kg) = 9.993e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 2.218e-01
Temperature (°C) = 100.00
Pressure (atm) = 23.39
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.109328e+02
Total O = 5.590969e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 2.920e-04 2.855e-04 -3.535 -3.544 -0.010 0.00
OH- 2.101e-09 2.053e-09 -8.678 -8.688 -0.010 -6.03
H2O 5.551e+01 9.963e-01 1.744 -0.002 0.000 18.78
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -88.619 -88.619 0.000 41.03
C(4) 2.218e-01
CO2 2.131e-01 2.131e-01 -0.671 -0.671 0.000 38.83
(CO2)2 4.215e-03 4.215e-03 -2.375 -2.375 0.000 77.65
HCO3- 2.920e-04 2.854e-04 -3.535 -3.545 -0.010 23.81
CO3-2 7.845e-11 7.159e-11 -10.105 -10.145 -0.040 -8.64
H(0) 1.057e-29
H2 5.284e-30 5.285e-30 -29.277 -29.277 0.000 28.56
O(0) 2.830e-15
O2 1.415e-15 1.415e-15 -14.849 -14.849 0.000 33.82
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 23 atm)
CH4(g) -85.60 -88.62 -3.02 CH4
CO2(g) 1.32 -0.67 -1.99 CO2 Pressure 22.3 atm, phi 0.939
H2(g) -26.17 -29.28 -3.11 H2
H2O(g) -0.00 -0.00 -0.00 H2O Pressure 1.1 atm, phi 0.877
O2(g) -11.72 -14.85 -3.13 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 44.15 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.08e-01 liters/mole
P * Vm / RT: 0.87719 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.63 4.285e+01 0.888 7.783e-01 1.595e+00 8.171e-01
H2O(g) 0.11 1.294e+00 0.779 3.984e-02 4.816e-02 8.320e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.049e-01 4.046e-01
----------------------------Description of solution----------------------------
pH = 3.416 Charge balance
pe = 2.081 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 273
Density (g/cm³) = 0.96303
Volume (L) = 1.05598
Viscosity (mPa s) = 0.28529
Activity of water = 0.993
Ionic strength (mol/kgw) = 3.941e-04
Mass of water (kg) = 9.991e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 4.049e-01
Temperature (°C) = 100.00
Pressure (atm) = 44.15
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 33
Total H = 1.109161e+02
Total O = 5.626718e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.941e-04 3.841e-04 -3.404 -3.416 -0.011 0.00
OH- 1.589e-09 1.547e-09 -8.799 -8.810 -0.012 -6.11
H2O 5.551e+01 9.933e-01 1.744 -0.003 0.000 18.76
C(-4) 1.200e-29
CH4 1.200e-29 1.200e-29 -28.921 -28.921 0.000 41.01
C(4) 4.049e-01
CO2 3.780e-01 3.780e-01 -0.423 -0.422 0.000 38.77
(CO2)2 1.326e-02 1.326e-02 -1.877 -1.877 0.000 77.53
HCO3- 3.941e-04 3.838e-04 -3.404 -3.416 -0.011 23.93
CO3-2 8.130e-11 7.316e-11 -10.090 -10.136 -0.046 -8.35
H(0) 7.591e-15
H2 3.796e-15 3.796e-15 -14.421 -14.421 0.000 28.55
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -44.580 -44.580 0.000 33.76
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 44 atm)
CH4(g) -25.89 -28.92 -3.03 CH4
CO2(g) 1.58 -0.42 -2.00 CO2 Pressure 42.9 atm, phi 0.888
H2(g) -11.30 -14.42 -3.12 H2
H2O(g) 0.00 -0.00 -0.01 H2O Pressure 1.3 atm, phi 0.779
O2(g) -41.44 -44.58 -3.14 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 63.31 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.99e-01 liters/mole
P * Vm / RT: 0.82548 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.79 6.185e+01 0.844 1.595e+00 2.447e+00 8.514e-01
H2O(g) 0.17 1.465e+00 0.695 4.816e-02 5.795e-02 9.787e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.538e-01 5.532e-01
----------------------------Description of solution----------------------------
pH = 3.348 Charge balance
pe = 2.465 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 316
Density (g/cm³) = 0.96489
Volume (L) = 1.06054
Viscosity (mPa s) = 0.28658
Activity of water = 0.991
Ionic strength (mol/kgw) = 4.610e-04
Mass of water (kg) = 9.989e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 5.538e-01
Temperature (°C) = 100.00
Pressure (atm) = 63.31
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.108965e+02
Total O = 5.655464e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.610e-04 4.484e-04 -3.336 -3.348 -0.012 0.00
OH- 1.382e-09 1.343e-09 -8.859 -8.872 -0.013 -6.19
H2O 5.551e+01 9.910e-01 1.744 -0.004 0.000 18.74
C(-4) 4.636e-32
CH4 4.636e-32 4.636e-32 -31.334 -31.334 0.000 40.98
C(4) 5.538e-01
CO2 5.058e-01 5.059e-01 -0.296 -0.296 0.000 38.71
(CO2)2 2.375e-02 2.375e-02 -1.624 -1.624 0.000 77.42
HCO3- 4.610e-04 4.481e-04 -3.336 -3.349 -0.012 24.05
CO3-2 8.360e-11 7.462e-11 -10.078 -10.127 -0.049 -8.10
H(0) 1.737e-15
H2 8.685e-16 8.686e-16 -15.061 -15.061 0.000 28.54
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -43.316 -43.316 0.000 33.69
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 63 atm)
CH4(g) -28.29 -31.33 -3.04 CH4
CO2(g) 1.72 -0.30 -2.01 CO2 Pressure 61.8 atm, phi 0.844
H2(g) -11.94 -15.06 -3.13 H2
H2O(g) 0.01 -0.00 -0.01 H2O Pressure 1.5 atm, phi 0.695
O2(g) -40.17 -43.32 -3.14 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 81.00 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.94e-01 liters/mole
P * Vm / RT: 0.77892 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.90 7.935e+01 0.805 2.447e+00 3.327e+00 8.800e-01
H2O(g) 0.22 1.653e+00 0.621 5.795e-02 6.931e-02 1.136e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 6.740e-01 6.732e-01
----------------------------Description of solution----------------------------
pH = 3.306 Charge balance
pe = 9.546 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 346
Density (g/cm³) = 0.96649
Volume (L) = 1.06404
Viscosity (mPa s) = 0.28766
Activity of water = 0.989
Ionic strength (mol/kgw) = 5.093e-04
Mass of water (kg) = 9.987e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 6.740e-01
Temperature (°C) = 100.00
Pressure (atm) = 81.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29
Total H = 1.108738e+02
Total O = 5.678324e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.093e-04 4.948e-04 -3.293 -3.306 -0.013 0.00
OH- 1.271e-09 1.233e-09 -8.896 -8.909 -0.013 -6.27
H2O 5.551e+01 9.891e-01 1.744 -0.005 0.000 18.72
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -87.567 -87.567 0.000 40.96
C(4) 6.740e-01
CO2 6.055e-01 6.055e-01 -0.218 -0.218 0.000 38.66
(CO2)2 3.402e-02 3.403e-02 -1.468 -1.468 0.000 77.32
HCO3- 5.093e-04 4.944e-04 -3.293 -3.306 -0.013 24.15
CO3-2 8.560e-11 7.599e-11 -10.068 -10.119 -0.052 -7.87
H(0) 1.435e-29
H2 7.176e-30 7.177e-30 -29.144 -29.144 0.000 28.53
O(0) 1.368e-15
O2 6.842e-16 6.842e-16 -15.165 -15.165 0.000 33.64
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 81 atm)
CH4(g) -84.52 -87.57 -3.05 CH4
CO2(g) 1.81 -0.22 -2.02 CO2 Pressure 79.3 atm, phi 0.805
H2(g) -26.01 -29.14 -3.13 H2
H2O(g) 0.01 -0.00 -0.02 H2O Pressure 1.7 atm, phi 0.621
O2(g) -12.01 -15.16 -3.15 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 97.41 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.32e-01 liters/mole
P * Vm / RT: 0.73772 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.98 9.555e+01 0.771 3.327e+00 4.230e+00 9.029e-01
H2O(g) 0.27 1.859e+00 0.557 6.931e-02 8.231e-02 1.301e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.714e-01 7.703e-01
----------------------------Description of solution----------------------------
pH = 3.276 Charge balance
pe = 2.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 368
Density (g/cm³) = 0.96788
Volume (L) = 1.06668
Viscosity (mPa s) = 0.28859
Activity of water = 0.988
Ionic strength (mol/kgw) = 5.462e-04
Mass of water (kg) = 9.985e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 7.714e-01
Temperature (°C) = 100.00
Pressure (atm) = 97.41
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.108478e+02
Total O = 5.696443e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.462e-04 5.301e-04 -3.263 -3.276 -0.013 0.00
OH- 1.202e-09 1.165e-09 -8.920 -8.934 -0.014 -6.33
H2O 5.551e+01 9.876e-01 1.744 -0.005 0.000 18.71
C(-4) 1.219e-27
CH4 1.219e-27 1.219e-27 -26.914 -26.914 0.000 40.94
C(4) 7.714e-01
CO2 6.840e-01 6.841e-01 -0.165 -0.165 0.000 38.62
(CO2)2 4.343e-02 4.343e-02 -1.362 -1.362 0.000 77.23
HCO3- 5.462e-04 5.296e-04 -3.263 -3.276 -0.013 24.24
CO3-2 8.739e-11 7.727e-11 -10.059 -10.112 -0.053 -7.66
H(0) 2.006e-14
H2 1.003e-14 1.003e-14 -13.999 -13.999 0.000 28.52
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.469 -45.469 0.000 33.58
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 97 atm)
CH4(g) -23.85 -26.91 -3.06 CH4
CO2(g) 1.87 -0.16 -2.03 CO2 Pressure 95.5 atm, phi 0.771
H2(g) -10.86 -14.00 -3.14 H2
H2O(g) 0.02 -0.01 -0.02 H2O Pressure 1.9 atm, phi 0.557
O2(g) -42.31 -45.47 -3.16 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 112.79 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.91e-01 liters/mole
P * Vm / RT: 0.70196 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.04 1.107e+02 0.741 4.230e+00 5.150e+00 9.205e-01
H2O(g) 0.32 2.085e+00 0.501 8.231e-02 9.701e-02 1.470e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.512e-01 8.497e-01
----------------------------Description of solution----------------------------
pH = 3.253 Charge balance
pe = 2.013 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 385
Density (g/cm³) = 0.96910
Volume (L) = 1.06867
Viscosity (mPa s) = 0.28940
Activity of water = 0.986
Ionic strength (mol/kgw) = 5.755e-04
Mass of water (kg) = 9.982e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 8.512e-01
Temperature (°C) = 100.00
Pressure (atm) = 112.79
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
Total H = 1.108184e+02
Total O = 5.710870e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.755e-04 5.581e-04 -3.240 -3.253 -0.013 0.00
OH- 1.155e-09 1.119e-09 -8.937 -8.951 -0.014 -6.40
H2O 5.551e+01 9.864e-01 1.744 -0.006 0.000 18.70
C(-4) 1.539e-27
CH4 1.539e-27 1.539e-27 -26.813 -26.813 0.000 40.93
C(4) 8.512e-01
CO2 7.471e-01 7.471e-01 -0.127 -0.127 0.000 38.57
(CO2)2 5.180e-02 5.181e-02 -1.286 -1.286 0.000 77.15
HCO3- 5.755e-04 5.576e-04 -3.240 -3.254 -0.014 24.33
CO3-2 8.902e-11 7.849e-11 -10.050 -10.105 -0.055 -7.47
H(0) 2.059e-14
H2 1.030e-14 1.030e-14 -13.987 -13.987 0.000 28.52
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.505 -45.505 0.000 33.54
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 113 atm)
CH4(g) -23.74 -26.81 -3.07 CH4
CO2(g) 1.91 -0.13 -2.04 CO2 Pressure 110.7 atm, phi 0.741
H2(g) -10.84 -13.99 -3.15 H2
H2O(g) 0.02 -0.01 -0.02 H2O Pressure 2.1 atm, phi 0.501
O2(g) -42.34 -45.50 -3.17 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 127.46 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.61e-01 liters/mole
P * Vm / RT: 0.67165 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.10 1.251e+02 0.714 5.150e+00 6.084e+00 9.337e-01
H2O(g) 0.37 2.333e+00 0.451 9.701e-02 1.134e-01 1.641e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.180e-01 9.161e-01
----------------------------Description of solution----------------------------
pH = 3.236 Charge balance
pe = 2.266 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 399
Density (g/cm³) = 0.97021
Volume (L) = 1.07015
Viscosity (mPa s) = 0.29013
Activity of water = 0.985
Ionic strength (mol/kgw) = 5.997e-04
Mass of water (kg) = 9.979e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 9.180e-01
Temperature (°C) = 100.00
Pressure (atm) = 127.46
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
Total H = 1.107856e+02
Total O = 5.722497e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.997e-04 5.813e-04 -3.222 -3.236 -0.014 0.00
OH- 1.122e-09 1.086e-09 -8.950 -8.964 -0.014 -6.46
H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 18.68
C(-4) 2.139e-29
CH4 2.139e-29 2.140e-29 -28.670 -28.670 0.000 40.91
C(4) 9.180e-01
CO2 7.989e-01 7.990e-01 -0.098 -0.097 0.000 38.53
(CO2)2 5.924e-02 5.925e-02 -1.227 -1.227 0.000 77.07
HCO3- 5.997e-04 5.807e-04 -3.222 -3.236 -0.014 24.41
CO3-2 9.057e-11 7.966e-11 -10.043 -10.099 -0.056 -7.29
H(0) 6.888e-15
H2 3.444e-15 3.445e-15 -14.463 -14.463 0.000 28.51
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -44.565 -44.565 0.000 33.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 127 atm)
CH4(g) -25.59 -28.67 -3.08 CH4
CO2(g) 1.95 -0.10 -2.05 CO2 Pressure 125.1 atm, phi 0.714
H2(g) -11.31 -14.46 -3.15 H2
H2O(g) 0.02 -0.01 -0.03 H2O Pressure 2.3 atm, phi 0.451
O2(g) -41.39 -44.57 -3.17 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 141.77 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.40e-01 liters/mole
P * Vm / RT: 0.64676 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.14 1.392e+02 0.689 6.084e+00 7.027e+00 9.432e-01
H2O(g) 0.42 2.605e+00 0.407 1.134e-01 1.315e-01 1.811e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.752e-01 9.729e-01
----------------------------Description of solution----------------------------
pH = 3.221 Charge balance
pe = 9.614 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 411
Density (g/cm³) = 0.97124
Volume (L) = 1.07126
Viscosity (mPa s) = 0.29080
Activity of water = 0.985
Ionic strength (mol/kgw) = 6.205e-04
Mass of water (kg) = 9.976e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 9.752e-01
Temperature (°C) = 100.00
Pressure (atm) = 141.77
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Total H = 1.107494e+02
Total O = 5.732053e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.205e-04 6.012e-04 -3.207 -3.221 -0.014 0.00
OH- 1.098e-09 1.062e-09 -8.959 -8.974 -0.014 -6.51
H2O 5.551e+01 9.845e-01 1.744 -0.007 0.000 18.67
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -87.321 -87.321 0.000 40.89
C(4) 9.752e-01
CO2 8.428e-01 8.429e-01 -0.074 -0.074 0.000 38.49
(CO2)2 6.592e-02 6.593e-02 -1.181 -1.181 0.000 76.99
HCO3- 6.205e-04 6.006e-04 -3.207 -3.221 -0.014 24.49
CO3-2 9.206e-11 8.081e-11 -10.036 -10.093 -0.057 -7.11
H(0) 1.464e-29
H2 7.321e-30 7.322e-30 -29.135 -29.135 0.000 28.50
O(0) 1.172e-15
O2 5.862e-16 5.863e-16 -15.232 -15.232 0.000 33.45
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 142 atm)
CH4(g) -84.23 -87.32 -3.09 CH4
CO2(g) 1.98 -0.07 -2.06 CO2 Pressure 139.2 atm, phi 0.689
H2(g) -25.98 -29.14 -3.16 H2
H2O(g) 0.03 -0.01 -0.03 H2O Pressure 2.6 atm, phi 0.407
O2(g) -12.05 -15.23 -3.18 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 156.12 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.23e-01 liters/mole
P * Vm / RT: 0.62725 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.19 1.532e+02 0.666 7.027e+00 7.977e+00 9.498e-01
H2O(g) 0.46 2.906e+00 0.368 1.315e-01 1.513e-01 1.977e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.026e+00 1.023e+00
----------------------------Description of solution----------------------------
pH = 3.208 Charge balance
pe = 1.923 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 422
Density (g/cm³) = 0.97222
Volume (L) = 1.07208
Viscosity (mPa s) = 0.29143
Activity of water = 0.984
Ionic strength (mol/kgw) = 6.392e-04
Mass of water (kg) = 9.973e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.026e+00
Temperature (°C) = 100.00
Pressure (atm) = 156.12
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 27
Total H = 1.107098e+02
Total O = 5.740115e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.392e-04 6.190e-04 -3.194 -3.208 -0.014 0.00
OH- 1.079e-09 1.043e-09 -8.967 -8.982 -0.015 -6.57
H2O 5.551e+01 9.838e-01 1.744 -0.007 0.000 18.66
C(-4) 2.068e-26
CH4 2.068e-26 2.068e-26 -25.685 -25.684 0.000 40.88
C(4) 1.026e+00
CO2 8.812e-01 8.812e-01 -0.055 -0.055 0.000 38.46
(CO2)2 7.207e-02 7.208e-02 -1.142 -1.142 0.000 76.91
HCO3- 6.392e-04 6.184e-04 -3.194 -3.209 -0.014 24.57
CO3-2 9.355e-11 8.197e-11 -10.029 -10.086 -0.057 -6.94
H(0) 3.680e-14
H2 1.840e-14 1.840e-14 -13.735 -13.735 0.000 28.50
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -46.044 -46.044 0.000 33.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 156 atm)
CH4(g) -22.59 -25.68 -3.09 CH4
CO2(g) 2.01 -0.05 -2.06 CO2 Pressure 153.2 atm, phi 0.666
H2(g) -10.57 -13.74 -3.16 H2
H2O(g) 0.03 -0.01 -0.04 H2O Pressure 2.9 atm, phi 0.368
O2(g) -42.86 -46.04 -3.19 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 170.91 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.10e-01 liters/mole
P * Vm / RT: 0.61310 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.22 1.677e+02 0.645 7.977e+00 8.931e+00 9.542e-01
H2O(g) 0.51 3.242e+00 0.332 1.513e-01 1.727e-01 2.137e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.072e+00 1.069e+00
----------------------------Description of solution----------------------------
pH = 3.197 Charge balance
pe = 2.105 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 432
Density (g/cm³) = 0.97320
Volume (L) = 1.07268
Viscosity (mPa s) = 0.29207
Activity of water = 0.983
Ionic strength (mol/kgw) = 6.566e-04
Mass of water (kg) = 9.969e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.072e+00
Temperature (°C) = 100.00
Pressure (atm) = 170.91
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.106671e+02
Total O = 5.747138e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.566e-04 6.356e-04 -3.183 -3.197 -0.014 0.00
OH- 1.063e-09 1.028e-09 -8.973 -8.988 -0.015 -6.63
H2O 5.551e+01 9.831e-01 1.744 -0.007 0.000 18.64
C(-4) 9.248e-28
CH4 9.248e-28 9.249e-28 -27.034 -27.034 0.000 40.86
C(4) 1.072e+00
CO2 9.159e-01 9.160e-01 -0.038 -0.038 0.000 38.42
(CO2)2 7.786e-02 7.787e-02 -1.109 -1.109 0.000 76.83
HCO3- 6.566e-04 6.350e-04 -3.183 -3.197 -0.015 24.65
CO3-2 9.508e-11 8.318e-11 -10.022 -10.080 -0.058 -6.76
H(0) 1.661e-14
H2 8.303e-15 8.305e-15 -14.081 -14.081 0.000 28.49
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.364 -45.364 0.000 33.36
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 171 atm)
CH4(g) -23.93 -27.03 -3.10 CH4
CO2(g) 2.03 -0.04 -2.07 CO2 Pressure 167.7 atm, phi 0.645
H2(g) -10.91 -14.08 -3.17 H2
H2O(g) 0.03 -0.01 -0.04 H2O Pressure 3.2 atm, phi 0.332
O2(g) -42.17 -45.36 -3.20 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 186.59 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.92e-02 liters/mole
P * Vm / RT: 0.60432 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.26 1.830e+02 0.624 8.931e+00 9.888e+00 9.569e-01
H2O(g) 0.56 3.618e+00 0.300 1.727e-01 1.955e-01 2.287e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.116e+00 1.112e+00
----------------------------Description of solution----------------------------
pH = 3.186 Charge balance
pe = 2.210 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 442
Density (g/cm³) = 0.97420
Volume (L) = 1.07311
Viscosity (mPa s) = 0.29271
Activity of water = 0.982
Ionic strength (mol/kgw) = 6.734e-04
Mass of water (kg) = 9.965e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.116e+00
Temperature (°C) = 100.00
Pressure (atm) = 186.59
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Total H = 1.106214e+02
Total O = 5.753479e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.734e-04 6.517e-04 -3.172 -3.186 -0.014 0.00
OH- 1.051e-09 1.015e-09 -8.979 -8.993 -0.015 -6.69
H2O 5.551e+01 9.824e-01 1.744 -0.008 0.000 18.63
C(-4) 1.662e-28
CH4 1.662e-28 1.662e-28 -27.779 -27.779 0.000 40.84
C(4) 1.116e+00
CO2 9.484e-01 9.485e-01 -0.023 -0.023 0.000 38.38
(CO2)2 8.348e-02 8.349e-02 -1.078 -1.078 0.000 76.75
HCO3- 6.734e-04 6.511e-04 -3.172 -3.186 -0.015 24.73
CO3-2 9.670e-11 8.448e-11 -10.015 -10.073 -0.059 -6.58
H(0) 1.061e-14
H2 5.307e-15 5.308e-15 -14.275 -14.275 0.000 28.48
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -44.988 -44.988 0.000 33.31
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 187 atm)
CH4(g) -24.67 -27.78 -3.11 CH4
CO2(g) 2.06 -0.02 -2.08 CO2 Pressure 183.0 atm, phi 0.624
H2(g) -11.10 -14.28 -3.18 H2
H2O(g) 0.04 -0.01 -0.04 H2O Pressure 3.6 atm, phi 0.300
O2(g) -41.79 -44.99 -3.20 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 203.65 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.04e-02 liters/mole
P * Vm / RT: 0.60101 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.30 1.996e+02 0.603 9.888e+00 1.085e+01 9.582e-01
H2O(g) 0.61 4.045e+00 0.271 1.955e-01 2.198e-01 2.424e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.158e+00 1.154e+00
----------------------------Description of solution----------------------------
pH = 3.175 Charge balance
pe = 9.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 451
Density (g/cm³) = 0.97525
Volume (L) = 1.07339
Viscosity (mPa s) = 0.29339
Activity of water = 0.982
Ionic strength (mol/kgw) = 6.903e-04
Mass of water (kg) = 9.960e-01
Total alkalinity (eq/kg) = 1.222e-09
Total CO2 (mol/kg) = 1.158e+00
Temperature (°C) = 100.00
Pressure (atm) = 203.65
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.105729e+02
Total O = 5.759422e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.903e-04 6.678e-04 -3.161 -3.175 -0.014 0.00
OH- 1.040e-09 1.005e-09 -8.983 -8.998 -0.015 -6.75
H2O 5.551e+01 9.818e-01 1.744 -0.008 0.000 18.62
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -89.669 -89.669 0.000 40.82
C(4) 1.158e+00
CO2 9.797e-01 9.798e-01 -0.009 -0.009 0.000 38.33
(CO2)2 8.908e-02 8.909e-02 -1.050 -1.050 0.000 76.66
HCO3- 6.903e-04 6.671e-04 -3.161 -3.176 -0.015 24.82
CO3-2 9.847e-11 8.590e-11 -10.007 -10.066 -0.059 -6.38
H(0) 3.509e-30
H2 1.755e-30 1.755e-30 -29.756 -29.756 0.000 28.48
O(0) 1.824e-14
O2 9.122e-15 9.124e-15 -14.040 -14.040 0.000 33.26
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 204 atm)
CH4(g) -86.55 -89.67 -3.12 CH4
CO2(g) 2.08 -0.01 -2.09 CO2 Pressure 199.6 atm, phi 0.603
H2(g) -26.57 -29.76 -3.18 H2
H2O(g) 0.04 -0.01 -0.05 H2O Pressure 4.0 atm, phi 0.271
O2(g) -10.83 -14.04 -3.21 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 222.60 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.30e-02 liters/mole
P * Vm / RT: 0.60330 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.34 2.181e+02 0.583 1.085e+01 1.180e+01 9.584e-01
H2O(g) 0.66 4.530e+00 0.245 2.198e-01 2.452e-01 2.545e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.201e+00 1.195e+00
----------------------------Description of solution----------------------------
pH = 3.165 Charge balance
pe = 10.042 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 461
Density (g/cm³) = 0.97639
Volume (L) = 1.07355
Viscosity (mPa s) = 0.29411
Activity of water = 0.981
Ionic strength (mol/kgw) = 7.077e-04
Mass of water (kg) = 9.956e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 1.201e+00
Temperature (°C) = 100.00
Pressure (atm) = 222.60
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Total H = 1.105220e+02
Total O = 5.765197e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.077e-04 6.844e-04 -3.150 -3.165 -0.015 0.00
OH- 1.031e-09 9.955e-10 -8.987 -9.002 -0.015 -6.83
H2O 5.551e+01 9.812e-01 1.744 -0.008 0.000 18.60
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.263 -90.263 0.000 40.80
C(4) 1.201e+00
CO2 1.011e+00 1.011e+00 0.005 0.005 0.000 38.28
(CO2)2 9.478e-02 9.480e-02 -1.023 -1.023 0.000 76.56
HCO3- 7.077e-04 6.837e-04 -3.150 -3.165 -0.015 24.92
CO3-2 1.004e-10 8.750e-11 -9.998 -10.058 -0.060 -6.16
H(0) 2.445e-30
H2 1.223e-30 1.223e-30 -29.913 -29.913 0.000 28.47
O(0) 3.633e-14
O2 1.817e-14 1.817e-14 -13.741 -13.741 0.000 33.21
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 223 atm)
CH4(g) -87.13 -90.26 -3.13 CH4
CO2(g) 2.10 0.00 -2.10 CO2 Pressure 218.1 atm, phi 0.583
H2(g) -26.72 -29.91 -3.19 H2
H2O(g) 0.05 -0.01 -0.05 H2O Pressure 4.5 atm, phi 0.245
O2(g) -10.52 -13.74 -3.22 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 244.02 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.67e-02 liters/mole
P * Vm / RT: 0.61142 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.38 2.389e+02 0.563 1.180e+01 1.276e+01 9.578e-01
H2O(g) 0.71 5.087e+00 0.221 2.452e-01 2.717e-01 2.646e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.244e+00 1.238e+00
----------------------------Description of solution----------------------------
pH = 3.154 Charge balance
pe = 10.058 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 472
Density (g/cm³) = 0.97763
Volume (L) = 1.07359
Viscosity (mPa s) = 0.29491
Activity of water = 0.981
Ionic strength (mol/kgw) = 7.261e-04
Mass of water (kg) = 9.951e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.244e+00
Temperature (°C) = 100.00
Pressure (atm) = 244.02
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 37
Total H = 1.104690e+02
Total O = 5.770992e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.261e-04 7.020e-04 -3.139 -3.154 -0.015 0.00
OH- 1.024e-09 9.879e-10 -8.990 -9.005 -0.015 -6.91
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.58
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.302 -90.302 0.000 40.78
C(4) 1.244e+00
CO2 1.042e+00 1.042e+00 0.018 0.018 0.000 38.23
(CO2)2 1.007e-01 1.007e-01 -0.997 -0.997 0.000 76.46
HCO3- 7.261e-04 7.012e-04 -3.139 -3.154 -0.015 25.03
CO3-2 1.027e-10 8.933e-11 -9.988 -10.049 -0.061 -5.92
H(0) 2.342e-30
H2 1.171e-30 1.171e-30 -29.931 -29.931 0.000 28.46
O(0) 3.814e-14
O2 1.907e-14 1.907e-14 -13.720 -13.720 0.000 33.15
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 244 atm)
CH4(g) -87.16 -90.30 -3.14 CH4
CO2(g) 2.13 0.02 -2.11 CO2 Pressure 238.9 atm, phi 0.563
H2(g) -26.73 -29.93 -3.20 H2
H2O(g) 0.05 -0.01 -0.06 H2O Pressure 5.1 atm, phi 0.221
O2(g) -10.49 -13.72 -3.23 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 268.56 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.13e-02 liters/mole
P * Vm / RT: 0.62568 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.42 2.628e+02 0.544 1.276e+01 1.372e+01 9.565e-01
H2O(g) 0.76 5.727e+00 0.199 2.717e-01 2.989e-01 2.722e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.288e+00 1.281e+00
----------------------------Description of solution----------------------------
pH = 3.142 Charge balance
pe = 10.050 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 483
Density (g/cm³) = 0.97902
Volume (L) = 1.07352
Viscosity (mPa s) = 0.29581
Activity of water = 0.980
Ionic strength (mol/kgw) = 7.459e-04
Mass of water (kg) = 9.946e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.288e+00
Temperature (°C) = 100.00
Pressure (atm) = 268.56
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.104146e+02
Total O = 5.776968e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.459e-04 7.209e-04 -3.127 -3.142 -0.015 0.00
OH- 1.018e-09 9.817e-10 -8.992 -9.008 -0.016 -7.00
H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 18.56
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.141 -90.141 0.000 40.75
C(4) 1.288e+00
CO2 1.073e+00 1.074e+00 0.031 0.031 0.000 38.17
(CO2)2 1.070e-01 1.070e-01 -0.971 -0.971 0.000 76.33
HCO3- 7.459e-04 7.201e-04 -3.127 -3.143 -0.015 25.15
CO3-2 1.053e-10 9.145e-11 -9.978 -10.039 -0.061 -5.65
H(0) 2.512e-30
H2 1.256e-30 1.256e-30 -29.901 -29.901 0.000 28.45
O(0) 3.173e-14
O2 1.587e-14 1.587e-14 -13.799 -13.799 0.000 33.08
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 269 atm)
CH4(g) -86.98 -90.14 -3.16 CH4
CO2(g) 2.15 0.03 -2.12 CO2 Pressure 262.8 atm, phi 0.544
H2(g) -26.69 -29.90 -3.21 H2
H2O(g) 0.06 -0.01 -0.07 H2O Pressure 5.7 atm, phi 0.199
O2(g) -10.56 -13.80 -3.24 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 296.94 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.67e-02 liters/mole
P * Vm / RT: 0.64648 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.46 2.905e+02 0.525 1.372e+01 1.467e+01 9.547e-01
H2O(g) 0.81 6.466e+00 0.179 2.989e-01 3.266e-01 2.770e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.334e+00 1.327e+00
----------------------------Description of solution----------------------------
pH = 3.130 Charge balance
pe = 10.072 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 495
Density (g/cm³) = 0.98059
Volume (L) = 1.07333
Viscosity (mPa s) = 0.29682
Activity of water = 0.979
Ionic strength (mol/kgw) = 7.676e-04
Mass of water (kg) = 9.941e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.334e+00
Temperature (°C) = 100.00
Pressure (atm) = 296.94
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 63
Total H = 1.103592e+02
Total O = 5.783264e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.676e-04 7.415e-04 -3.115 -3.130 -0.015 0.00
OH- 1.013e-09 9.773e-10 -8.994 -9.010 -0.016 -7.10
H2O 5.551e+01 9.792e-01 1.744 -0.009 0.000 18.54
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.219 -90.219 0.000 40.72
C(4) 1.334e+00
CO2 1.106e+00 1.107e+00 0.044 0.044 0.000 38.10
(CO2)2 1.136e-01 1.136e-01 -0.945 -0.944 0.000 76.19
HCO3- 7.676e-04 7.407e-04 -3.115 -3.130 -0.015 25.29
CO3-2 1.084e-10 9.394e-11 -9.965 -10.027 -0.062 -5.34
H(0) 2.342e-30
H2 1.171e-30 1.171e-30 -29.931 -29.931 0.000 28.44
O(0) 3.474e-14
O2 1.737e-14 1.737e-14 -13.760 -13.760 0.000 33.00
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 297 atm)
CH4(g) -87.04 -90.22 -3.18 CH4
CO2(g) 2.18 0.04 -2.14 CO2 Pressure 290.5 atm, phi 0.525
H2(g) -26.71 -29.93 -3.22 H2
H2O(g) 0.06 -0.01 -0.07 H2O Pressure 6.5 atm, phi 0.179
O2(g) -10.51 -13.76 -3.25 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 329.97 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.26e-02 liters/mole
P * Vm / RT: 0.67434 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.51 3.227e+02 0.507 1.467e+01 1.563e+01 9.524e-01
H2O(g) 0.86 7.319e+00 0.161 3.266e-01 3.544e-01 2.783e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.383e+00 1.374e+00
----------------------------Description of solution----------------------------
pH = 3.117 Charge balance
pe = 10.093 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 509
Density (g/cm³) = 0.98238
Volume (L) = 1.07300
Viscosity (mPa s) = 0.29797
Activity of water = 0.979
Ionic strength (mol/kgw) = 7.916e-04
Mass of water (kg) = 9.936e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.383e+00
Temperature (°C) = 100.00
Pressure (atm) = 329.97
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 70
Total H = 1.103035e+02
Total O = 5.790005e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.916e-04 7.644e-04 -3.101 -3.117 -0.015 0.00
OH- 1.011e-09 9.749e-10 -8.995 -9.011 -0.016 -7.21
H2O 5.551e+01 9.785e-01 1.744 -0.009 0.000 18.51
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.291 -90.291 0.000 40.69
C(4) 1.383e+00
CO2 1.141e+00 1.141e+00 0.057 0.057 0.000 38.02
(CO2)2 1.208e-01 1.208e-01 -0.918 -0.918 0.000 76.03
HCO3- 7.916e-04 7.635e-04 -3.101 -3.117 -0.016 25.46
CO3-2 1.120e-10 9.689e-11 -9.951 -10.014 -0.063 -4.98
H(0) 2.185e-30
H2 1.093e-30 1.093e-30 -29.961 -29.961 0.000 28.43
O(0) 3.765e-14
O2 1.883e-14 1.883e-14 -13.725 -13.725 0.000 32.91
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 330 atm)
CH4(g) -87.10 -90.29 -3.19 CH4
CO2(g) 2.21 0.06 -2.16 CO2 Pressure 322.7 atm, phi 0.507
H2(g) -26.73 -29.96 -3.23 H2
H2O(g) 0.07 -0.01 -0.08 H2O Pressure 7.3 atm, phi 0.161
O2(g) -10.46 -13.73 -3.27 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 368.63 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.90e-02 liters/mole
P * Vm / RT: 0.70992 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.56 3.603e+02 0.491 1.563e+01 1.658e+01 9.497e-01
H2O(g) 0.92 8.305e+00 0.145 3.544e-01 3.820e-01 2.758e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.434e+00 1.424e+00
----------------------------Description of solution----------------------------
pH = 3.102 Charge balance
pe = 10.071 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 524
Density (g/cm³) = 0.98441
Volume (L) = 1.07253
Viscosity (mPa s) = 0.29929
Activity of water = 0.978
Ionic strength (mol/kgw) = 8.184e-04
Mass of water (kg) = 9.931e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.434e+00
Temperature (°C) = 100.00
Pressure (atm) = 368.63
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 77
Total H = 1.102484e+02
Total O = 5.797304e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.184e-04 7.899e-04 -3.087 -3.102 -0.015 0.00
OH- 1.012e-09 9.749e-10 -8.995 -9.011 -0.016 -7.34
H2O 5.551e+01 9.778e-01 1.744 -0.010 0.000 18.48
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.011 -90.011 0.000 40.65
C(4) 1.434e+00
CO2 1.177e+00 1.177e+00 0.071 0.071 0.000 37.92
(CO2)2 1.285e-01 1.285e-01 -0.891 -0.891 0.000 75.85
HCO3- 8.184e-04 7.890e-04 -3.087 -3.103 -0.016 25.64
CO3-2 1.163e-10 1.004e-10 -9.935 -9.998 -0.064 -4.58
H(0) 2.488e-30
H2 1.244e-30 1.244e-30 -29.905 -29.905 0.000 28.41
O(0) 2.716e-14
O2 1.358e-14 1.358e-14 -13.867 -13.867 0.000 32.81
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 369 atm)
CH4(g) -86.79 -90.01 -3.22 CH4
CO2(g) 2.25 0.07 -2.18 CO2 Pressure 360.3 atm, phi 0.491
H2(g) -26.66 -29.91 -3.25 H2
H2O(g) 0.08 -0.01 -0.09 H2O Pressure 8.3 atm, phi 0.145
O2(g) -10.58 -13.87 -3.29 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 414.00 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.58e-02 liters/mole
P * Vm / RT: 0.75401 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.61 4.046e+02 0.477 1.658e+01 1.752e+01 9.467e-01
H2O(g) 0.98 9.442e+00 0.131 3.820e-01 4.089e-01 2.690e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.489e+00 1.478e+00
----------------------------Description of solution----------------------------
pH = 3.087 Charge balance
pe = 10.094 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 541
Density (g/cm³) = 0.98675
Volume (L) = 1.07187
Viscosity (mPa s) = 0.30082
Activity of water = 0.977
Ionic strength (mol/kgw) = 8.487e-04
Mass of water (kg) = 9.926e-01
Total alkalinity (eq/kg) = 1.222e-09
Total CO2 (mol/kg) = 1.489e+00
Temperature (°C) = 100.00
Pressure (atm) = 414.00
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 85
Total H = 1.101946e+02
Total O = 5.805267e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.487e-04 8.187e-04 -3.071 -3.087 -0.016 0.00
OH- 1.016e-09 9.781e-10 -8.993 -9.010 -0.016 -7.50
H2O 5.551e+01 9.770e-01 1.744 -0.010 0.000 18.44
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.075 -90.075 0.000 40.60
C(4) 1.489e+00
CO2 1.214e+00 1.214e+00 0.084 0.084 0.000 37.82
(CO2)2 1.368e-01 1.369e-01 -0.864 -0.864 0.000 75.64
HCO3- 8.487e-04 8.177e-04 -3.071 -3.087 -0.016 25.85
CO3-2 1.214e-10 1.047e-10 -9.916 -9.980 -0.065 -4.12
H(0) 2.315e-30
H2 1.157e-30 1.158e-30 -29.937 -29.936 0.000 28.40
O(0) 2.901e-14
O2 1.450e-14 1.451e-14 -13.838 -13.838 0.000 32.69
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 414 atm)
CH4(g) -86.83 -90.08 -3.24 CH4
CO2(g) 2.29 0.08 -2.20 CO2 Pressure 404.6 atm, phi 0.477
H2(g) -26.67 -29.94 -3.27 H2
H2O(g) 0.09 -0.01 -0.10 H2O Pressure 9.4 atm, phi 0.131
O2(g) -10.53 -13.84 -3.31 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 467.40 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.29e-02 liters/mole
P * Vm / RT: 0.80760 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.66 4.566e+02 0.465 1.752e+01 1.847e+01 9.435e-01
H2O(g) 1.03 1.075e+01 0.119 4.089e-01 4.347e-01 2.572e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.546e+00 1.534e+00
----------------------------Description of solution----------------------------
pH = 3.070 Charge balance
pe = 10.132 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 560
Density (g/cm³) = 0.98942
Volume (L) = 1.07102
Viscosity (mPa s) = 0.30258
Activity of water = 0.976
Ionic strength (mol/kgw) = 8.829e-04
Mass of water (kg) = 9.922e-01
Total alkalinity (eq/kg) = 1.222e-09
Total CO2 (mol/kg) = 1.546e+00
Temperature (°C) = 100.00
Pressure (atm) = 467.40
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 95
Total H = 1.101431e+02
Total O = 5.813993e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.829e-04 8.513e-04 -3.054 -3.070 -0.016 0.00
OH- 1.024e-09 9.852e-10 -8.990 -9.006 -0.017 -7.67
H2O 5.551e+01 9.762e-01 1.744 -0.010 0.000 18.40
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -90.264 -90.264 0.000 40.55
C(4) 1.546e+00
CO2 1.254e+00 1.254e+00 0.098 0.098 0.000 37.70
(CO2)2 1.459e-01 1.459e-01 -0.836 -0.836 0.000 75.40
HCO3- 8.829e-04 8.503e-04 -3.054 -3.070 -0.016 26.09
CO3-2 1.277e-10 1.098e-10 -9.894 -9.959 -0.066 -3.59
H(0) 1.994e-30
H2 9.968e-31 9.970e-31 -30.001 -30.001 0.000 28.38
O(0) 3.566e-14
O2 1.783e-14 1.783e-14 -13.749 -13.749 0.000 32.56
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 467 atm)
CH4(g) -86.99 -90.26 -3.27 CH4
CO2(g) 2.33 0.10 -2.23 CO2 Pressure 456.6 atm, phi 0.465
H2(g) -26.71 -30.00 -3.29 H2
H2O(g) 0.11 -0.01 -0.12 H2O Pressure 10.7 atm, phi 0.119
O2(g) -10.42 -13.75 -3.33 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 530.35 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.03e-02 liters/mole
P * Vm / RT: 0.87191 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.71 5.181e+02 0.456 1.847e+01 1.941e+01 9.401e-01
H2O(g) 1.09 1.225e+01 0.108 4.347e-01 4.587e-01 2.401e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.607e+00 1.594e+00
----------------------------Description of solution----------------------------
pH = 3.051 Charge balance
pe = 11.415 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 582
Density (g/cm³) = 0.99250
Volume (L) = 1.06991
Viscosity (mPa s) = 0.30463
Activity of water = 0.975
Ionic strength (mol/kgw) = 9.220e-04
Mass of water (kg) = 9.917e-01
Total alkalinity (eq/kg) = 1.222e-09
Total CO2 (mol/kg) = 1.607e+00
Temperature (°C) = 100.00
Pressure (atm) = 530.35
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 41 (142 overall)
Total H = 1.100951e+02
Total O = 5.823576e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.220e-04 8.885e-04 -3.035 -3.051 -0.016 0.00
OH- 1.037e-09 9.976e-10 -8.984 -9.001 -0.017 -7.86
H2O 5.551e+01 9.753e-01 1.744 -0.011 0.000 18.35
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.399 -100.399 0.000 40.49
C(4) 1.607e+00
CO2 1.295e+00 1.295e+00 0.112 0.112 0.000 37.56
(CO2)2 1.557e-01 1.557e-01 -0.808 -0.808 0.000 75.12
HCO3- 9.220e-04 8.873e-04 -3.035 -3.052 -0.017 26.36
CO3-2 1.353e-10 1.160e-10 -9.869 -9.935 -0.067 -2.99
H(0) 5.571e-33
H2 2.786e-33 2.786e-33 -32.555 -32.555 0.000 28.35
O(0) 4.098e-09
O2 2.049e-09 2.050e-09 -8.688 -8.688 0.000 32.41
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 530 atm)
CH4(g) -97.09 -100.40 -3.31 CH4
CO2(g) 2.37 0.11 -2.26 CO2 Pressure 518.1 atm, phi 0.456
H2(g) -29.24 -32.55 -3.31 H2
H2O(g) 0.12 -0.01 -0.13 H2O Pressure 12.2 atm, phi 0.108
O2(g) -5.33 -8.69 -3.36 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 604.71 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.80e-02 liters/mole
P * Vm / RT: 0.94841 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.77 5.908e+02 0.452 1.941e+01 2.034e+01 9.365e-01
H2O(g) 1.14 1.395e+01 0.099 4.587e-01 4.804e-01 2.170e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.672e+00 1.658e+00
----------------------------Description of solution----------------------------
pH = 3.031 Charge balance
pe = 11.434 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 607
Density (g/cm³) = 0.99605
Volume (L) = 1.06852
Viscosity (mPa s) = 0.30701
Activity of water = 0.974
Ionic strength (mol/kgw) = 9.668e-04
Mass of water (kg) = 9.913e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.672e+00
Temperature (°C) = 100.00
Pressure (atm) = 604.71
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35 (136 overall)
Total H = 1.100517e+02
Total O = 5.834105e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.668e-04 9.310e-04 -3.015 -3.031 -0.016 0.00
OH- 1.058e-09 1.017e-09 -8.975 -8.993 -0.017 -8.07
H2O 5.551e+01 9.744e-01 1.744 -0.011 0.000 18.29
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.417 -100.417 0.000 40.42
C(4) 1.672e+00
CO2 1.339e+00 1.339e+00 0.127 0.127 0.000 37.41
(CO2)2 1.663e-01 1.663e-01 -0.779 -0.779 0.000 74.81
HCO3- 9.668e-04 9.298e-04 -3.015 -3.032 -0.017 26.67
CO3-2 1.446e-10 1.237e-10 -9.840 -9.908 -0.068 -2.30
H(0) 5.227e-33
H2 2.614e-33 2.614e-33 -32.583 -32.583 0.000 28.33
O(0) 4.100e-09
O2 2.050e-09 2.050e-09 -8.688 -8.688 0.000 32.23
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 605 atm)
CH4(g) -97.07 -100.42 -3.35 CH4
CO2(g) 2.43 0.13 -2.30 CO2 Pressure 590.8 atm, phi 0.452
H2(g) -29.24 -32.58 -3.34 H2
H2O(g) 0.14 -0.01 -0.15 H2O Pressure 14.0 atm, phi 0.099
O2(g) -5.30 -8.69 -3.39 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 24.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 692.70 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.59e-02 liters/mole
P * Vm / RT: 1.03894 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.83 6.768e+02 0.452 2.034e+01 2.128e+01 9.328e-01
H2O(g) 1.20 1.588e+01 0.091 4.804e-01 4.991e-01 1.875e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.740e+00 1.725e+00
----------------------------Description of solution----------------------------
pH = 3.009 Charge balance
pe = 11.455 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 636
Density (g/cm³) = 1.00012
Volume (L) = 1.06679
Viscosity (mPa s) = 0.30980
Activity of water = 0.973
Ionic strength (mol/kgw) = 1.018e-03
Mass of water (kg) = 9.910e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.740e+00
Temperature (°C) = 100.00
Pressure (atm) = 692.70
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.100142e+02
Total O = 5.845661e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.018e-03 9.800e-04 -2.992 -3.009 -0.017 0.00
OH- 1.089e-09 1.045e-09 -8.963 -8.981 -0.018 -8.32
H2O 5.551e+01 9.734e-01 1.744 -0.012 0.000 18.23
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.441 -100.441 0.000 40.34
C(4) 1.740e+00
CO2 1.384e+00 1.384e+00 0.141 0.141 0.000 37.23
(CO2)2 1.778e-01 1.778e-01 -0.750 -0.750 0.000 74.46
HCO3- 1.018e-03 9.786e-04 -2.992 -3.009 -0.017 27.02
CO3-2 1.561e-10 1.331e-10 -9.807 -9.876 -0.069 -1.53
H(0) 4.849e-33
H2 2.425e-33 2.425e-33 -32.615 -32.615 0.000 28.30
O(0) 4.101e-09
O2 2.051e-09 2.051e-09 -8.688 -8.688 0.000 32.04
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 693 atm)
CH4(g) -97.04 -100.44 -3.40 CH4
CO2(g) 2.49 0.14 -2.34 CO2 Pressure 676.8 atm, phi 0.452
H2(g) -29.24 -32.62 -3.38 H2
H2O(g) 0.16 -0.01 -0.17 H2O Pressure 15.9 atm, phi 0.091
O2(g) -5.26 -8.69 -3.43 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 25.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 797.06 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.40e-02 liters/mole
P * Vm / RT: 1.14576 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.89 7.790e+02 0.459 2.128e+01 2.220e+01 9.292e-01
H2O(g) 1.26 1.804e+01 0.085 4.991e-01 5.142e-01 1.511e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.812e+00 1.796e+00
----------------------------Description of solution----------------------------
pH = 2.984 Charge balance
pe = 11.478 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 669
Density (g/cm³) = 1.00480
Volume (L) = 1.06465
Viscosity (mPa s) = 0.31306
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.078e-03
Mass of water (kg) = 9.907e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.812e+00
Temperature (°C) = 100.00
Pressure (atm) = 797.06
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36 (137 overall)
Total H = 1.099840e+02
Total O = 5.858319e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.078e-03 1.036e-03 -2.967 -2.984 -0.017 0.00
OH- 1.132e-09 1.086e-09 -8.946 -8.964 -0.018 -8.59
H2O 5.551e+01 9.724e-01 1.744 -0.012 0.000 18.15
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.471 -100.471 0.000 40.25
C(4) 1.812e+00
CO2 1.431e+00 1.431e+00 0.156 0.156 0.000 37.03
(CO2)2 1.901e-01 1.902e-01 -0.721 -0.721 0.000 74.06
HCO3- 1.078e-03 1.035e-03 -2.967 -2.985 -0.018 27.42
CO3-2 1.706e-10 1.450e-10 -9.768 -9.839 -0.071 -0.67
H(0) 4.439e-33
H2 2.219e-33 2.220e-33 -32.654 -32.654 0.000 28.27
O(0) 4.102e-09
O2 2.051e-09 2.052e-09 -8.688 -8.688 0.000 31.83
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 797 atm)
CH4(g) -97.01 -100.47 -3.46 CH4
CO2(g) 2.55 0.16 -2.40 CO2 Pressure 779.0 atm, phi 0.459
H2(g) -29.23 -32.65 -3.42 H2
H2O(g) 0.19 -0.01 -0.20 H2O Pressure 18.0 atm, phi 0.085
O2(g) -5.21 -8.69 -3.47 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 26.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 921.15 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.23e-02 liters/mole
P * Vm / RT: 1.27174 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.95 9.007e+02 0.474 2.220e+01 2.313e+01 9.255e-01
H2O(g) 1.31 2.044e+01 0.081 5.142e-01 5.250e-01 1.075e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.888e+00 1.870e+00
----------------------------Description of solution----------------------------
pH = 2.958 Charge balance
pe = 11.503 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 708
Density (g/cm³) = 1.01017
Volume (L) = 1.06205
Viscosity (mPa s) = 0.31689
Activity of water = 0.971
Ionic strength (mol/kgw) = 1.147e-03
Mass of water (kg) = 9.905e-01
Total alkalinity (eq/kg) = 1.224e-09
Total CO2 (mol/kg) = 1.888e+00
Temperature (°C) = 100.00
Pressure (atm) = 921.15
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 38 (139 overall)
Total H = 1.099625e+02
Total O = 5.872141e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.147e-03 1.102e-03 -2.940 -2.958 -0.017 0.00
OH- 1.194e-09 1.144e-09 -8.923 -8.941 -0.018 -8.89
H2O 5.551e+01 9.713e-01 1.744 -0.013 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.509 -100.509 0.000 40.15
C(4) 1.888e+00
CO2 1.480e+00 1.480e+00 0.170 0.170 0.000 36.81
(CO2)2 2.033e-01 2.034e-01 -0.692 -0.692 0.000 73.62
HCO3- 1.147e-03 1.100e-03 -2.940 -2.958 -0.018 27.86
CO3-2 1.888e-10 1.599e-10 -9.724 -9.796 -0.072 0.29
H(0) 3.998e-33
H2 1.999e-33 1.999e-33 -32.699 -32.699 0.000 28.24
O(0) 4.103e-09
O2 2.052e-09 2.052e-09 -8.688 -8.688 0.000 31.59
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 921 atm)
CH4(g) -96.98 -100.51 -3.53 CH4
CO2(g) 2.63 0.17 -2.46 CO2 Pressure 900.7 atm, phi 0.474
H2(g) -29.23 -32.70 -3.47 H2
H2O(g) 0.22 -0.01 -0.23 H2O Pressure 20.4 atm, phi 0.081
O2(g) -5.16 -8.69 -3.53 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 27.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1069.23 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.07e-02 liters/mole
P * Vm / RT: 1.42047 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.02 1.046e+03 0.500 2.313e+01 2.405e+01 9.220e-01
H2O(g) 1.36 2.308e+01 0.078 5.250e-01 5.306e-01 5.633e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.967e+00 1.948e+00
----------------------------Description of solution----------------------------
pH = 2.929 Charge balance
pe = 11.530 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 752
Density (g/cm³) = 1.01630
Volume (L) = 1.05892
Viscosity (mPa s) = 0.32138
Activity of water = 0.970
Ionic strength (mol/kgw) = 1.228e-03
Mass of water (kg) = 9.904e-01
Total alkalinity (eq/kg) = 1.225e-09
Total CO2 (mol/kg) = 1.967e+00
Temperature (°C) = 100.00
Pressure (atm) = 1069.23
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 39 (140 overall)
Total H = 1.099512e+02
Total O = 5.887174e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.228e-03 1.179e-03 -2.911 -2.929 -0.018 0.00
OH- 1.282e-09 1.227e-09 -8.892 -8.911 -0.019 -9.21
H2O 5.551e+01 9.702e-01 1.744 -0.013 0.000 17.97
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.556 -100.556 0.000 40.04
C(4) 1.967e+00
CO2 1.531e+00 1.531e+00 0.185 0.185 0.000 36.56
(CO2)2 2.175e-01 2.175e-01 -0.663 -0.662 0.000 73.13
HCO3- 1.228e-03 1.177e-03 -2.911 -2.929 -0.018 28.34
CO3-2 2.122e-10 1.790e-10 -9.673 -9.747 -0.074 1.36
H(0) 3.530e-33
H2 1.765e-33 1.766e-33 -32.753 -32.753 0.000 28.20
O(0) 4.104e-09
O2 2.052e-09 2.052e-09 -8.688 -8.688 0.000 31.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 1069 atm)
CH4(g) -96.94 -100.56 -3.61 CH4
CO2(g) 2.72 0.18 -2.53 CO2 Pressure 1046.2 atm, phi 0.500
H2(g) -29.23 -32.75 -3.53 H2
H2O(g) 0.25 -0.01 -0.27 H2O Pressure 23.1 atm, phi 0.078
O2(g) -5.10 -8.69 -3.59 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 28.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1246.74 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.92e-02 liters/mole
P * Vm / RT: 1.59663 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.09 1.221e+03 0.541 2.405e+01 2.497e+01 9.188e-01
H2O(g) 1.41 2.593e+01 0.076 5.306e-01 5.304e-01 -2.391e-04
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.049e+00 2.029e+00
----------------------------Description of solution----------------------------
pH = 2.897 Charge balance
pe = 11.559 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 803
Density (g/cm³) = 1.02323
Volume (L) = 1.05524
Viscosity (mPa s) = 0.32664
Activity of water = 0.969
Ionic strength (mol/kgw) = 1.323e-03
Mass of water (kg) = 9.904e-01
Total alkalinity (eq/kg) = 1.226e-09
Total CO2 (mol/kg) = 2.049e+00
Temperature (°C) = 100.00
Pressure (atm) = 1246.74
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 45 (146 overall)
Total H = 1.099517e+02
Total O = 5.903436e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.323e-03 1.268e-03 -2.879 -2.897 -0.018 0.00
OH- 1.409e-09 1.347e-09 -8.851 -8.871 -0.019 -9.57
H2O 5.551e+01 9.691e-01 1.744 -0.014 0.000 17.86
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.615 -100.615 0.000 39.91
C(4) 2.049e+00
CO2 1.583e+00 1.583e+00 0.199 0.199 0.000 36.29
(CO2)2 2.325e-01 2.326e-01 -0.634 -0.633 0.000 72.59
HCO3- 1.323e-03 1.266e-03 -2.879 -2.898 -0.019 28.88
CO3-2 2.428e-10 2.039e-10 -9.615 -9.691 -0.076 2.54
H(0) 3.044e-33
H2 1.522e-33 1.522e-33 -32.818 -32.817 0.000 28.16
O(0) 4.104e-09
O2 2.052e-09 2.052e-09 -8.688 -8.688 0.000 31.03
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 1247 atm)
CH4(g) -96.91 -100.61 -3.71 CH4
CO2(g) 2.82 0.20 -2.62 CO2 Pressure 1220.8 atm, phi 0.541
H2(g) -29.22 -32.82 -3.60 H2
H2O(g) 0.30 -0.01 -0.31 H2O Pressure 25.9 atm, phi 0.076
O2(g) -5.02 -8.69 -3.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 29.
Using solution 1.
Using gas phase 1.
Using temperature 4.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1460.80 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.79e-02 liters/mole
P * Vm / RT: 1.80635 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.16 1.432e+03 0.606 2.497e+01 2.589e+01 9.161e-01
H2O(g) 1.46 2.896e+01 0.077 5.304e-01 5.236e-01 -6.811e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.133e+00 2.113e+00
----------------------------Description of solution----------------------------
pH = 2.862 Charge balance
pe = 11.590 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 100°C) = 864
Density (g/cm³) = 1.03092
Volume (L) = 1.05107
Viscosity (mPa s) = 0.33268
Activity of water = 0.968
Ionic strength (mol/kgw) = 1.435e-03
Mass of water (kg) = 9.905e-01
Total alkalinity (eq/kg) = 1.225e-09
Total CO2 (mol/kg) = 2.133e+00
Temperature (°C) = 100.00
Pressure (atm) = 1460.80
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 57 (158 overall)
Total H = 1.099653e+02
Total O = 5.920895e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.435e-03 1.374e-03 -2.843 -2.862 -0.019 0.00
OH- 1.595e-09 1.523e-09 -8.797 -8.817 -0.020 -9.96
H2O 5.551e+01 9.679e-01 1.744 -0.014 0.000 17.73
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -100.688 -100.688 0.000 39.77
C(4) 2.133e+00
CO2 1.635e+00 1.636e+00 0.214 0.214 0.000 36.00
(CO2)2 2.483e-01 2.483e-01 -0.605 -0.605 0.000 71.99
HCO3- 1.435e-03 1.372e-03 -2.843 -2.863 -0.019 29.47
CO3-2 2.835e-10 2.370e-10 -9.547 -9.625 -0.078 3.83
H(0) 2.548e-33
H2 1.274e-33 1.275e-33 -32.895 -32.895 0.000 28.11
O(0) 4.103e-09
O2 2.052e-09 2.052e-09 -8.688 -8.688 0.000 30.71
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(373 K, 1461 atm)
CH4(g) -96.86 -100.69 -3.83 CH4
CO2(g) 2.94 0.21 -2.72 CO2 Pressure 1431.8 atm, phi 0.606
H2(g) -29.21 -32.89 -3.68 H2
H2O(g) 0.35 -0.01 -0.36 H2O Pressure 29.0 atm, phi 0.077
O2(g) -4.94 -8.69 -3.75 O2
**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.
------------------------------------
USE solution 1
USE gas_phase 1
REACTION
CO2 1
0 26*1
REACTION_TEMPERATURE 5
150
USER_GRAPH 1
-active false
USER_GRAPH 2
-active true
END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
0.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 4.70 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.17e+00 liters/mole
P * Vm / RT: 0.97037 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) -99.99 0.000e+00 0.606 0.000e+00 0.000e+00 0.000e+00
H2O(g) 0.67 4.702e+00 0.971 0.000e+00 1.395e-01 1.395e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 5.813 Charge balance
pe = 5.167 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 1
Density (g/cm³) = 0.91701
Volume (L) = 1.08776
Viscosity (mPa s) = 0.18261
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.541e-06
Mass of water (kg) = 9.975e-01
Total alkalinity (eq/kg) = 1.220e-09
Temperature (°C) = 150.00
Pressure (atm) = 4.70
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 31
Total H = 1.107333e+02
Total O = 5.536667e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.542e-06 1.539e-06 -5.812 -5.813 -0.001 -12.11
H+ 1.540e-06 1.537e-06 -5.812 -5.813 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 19.65
H(0) 6.431e-26
H2 3.216e-26 3.216e-26 -25.493 -25.493 0.000 28.56
O(0) 2.751e-15
O2 1.376e-15 1.376e-15 -14.862 -14.862 0.000 35.91
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 5 atm)
H2(g) -22.51 -25.49 -2.98 H2
H2O(g) 0.66 -0.00 -0.66 H2O Pressure 4.7 atm, phi 0.971
O2(g) -11.82 -14.86 -3.04 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 30.98 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.05e+00 liters/mole
P * Vm / RT: 0.93531 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.41 2.567e+01 0.952 0.000e+00 7.904e-01 7.904e-01
H2O(g) 0.73 5.310e+00 0.870 1.395e-01 1.635e-01 2.395e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.102e-01 2.096e-01
----------------------------Description of solution----------------------------
pH = 3.727 Charge balance
pe = 1.898 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 157
Density (g/cm³) = 0.91912
Volume (L) = 1.09483
Viscosity (mPa s) = 0.18399
Activity of water = 0.997
Ionic strength (mol/kgw) = 1.914e-04
Mass of water (kg) = 9.971e-01
Total alkalinity (eq/kg) = 1.219e-09
Total CO2 (mol/kg) = 2.102e-01
Temperature (°C) = 150.00
Pressure (atm) = 30.98
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32
Total H = 1.106854e+02
Total O = 5.576192e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.914e-04 1.874e-04 -3.718 -3.727 -0.009 0.00
OH- 1.316e-08 1.288e-08 -7.881 -7.890 -0.009 -12.11
H2O 5.551e+01 9.965e-01 1.744 -0.002 0.000 19.61
C(-4) 9.644e-36
CH4 9.644e-36 9.645e-36 -35.016 -35.016 0.000 46.77
C(4) 2.102e-01
CO2 1.989e-01 1.990e-01 -0.701 -0.701 0.000 44.58
(CO2)2 5.541e-03 5.541e-03 -2.256 -2.256 0.000 89.15
HCO3- 1.914e-04 1.873e-04 -3.718 -3.727 -0.009 17.09
CO3-2 4.629e-11 4.250e-11 -10.335 -10.372 -0.037 -24.46
H(0) 3.232e-15
H2 1.616e-15 1.616e-15 -14.792 -14.792 0.000 28.55
O(0) 1.039e-36
O2 5.193e-37 5.193e-37 -36.285 -36.285 0.000 35.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 31 atm)
CH4(g) -32.10 -35.02 -2.91 CH4
CO2(g) 1.39 -0.70 -2.09 CO2 Pressure 25.7 atm, phi 0.952
H2(g) -11.80 -14.79 -2.99 H2
H2O(g) 0.66 -0.00 -0.67 H2O Pressure 5.3 atm, phi 0.870
O2(g) -33.23 -36.28 -3.05 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 55.85 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.57e-01 liters/mole
P * Vm / RT: 0.89570 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.70 4.992e+01 0.913 7.904e-01 1.605e+00 8.147e-01
H2O(g) 0.77 5.925e+00 0.788 1.635e-01 1.905e-01 2.700e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.962e-01 3.949e-01
----------------------------Description of solution----------------------------
pH = 3.592 Charge balance
pe = 7.938 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 211
Density (g/cm³) = 0.92109
Volume (L) = 1.10082
Viscosity (mPa s) = 0.18503
Activity of water = 0.994
Ionic strength (mol/kgw) = 2.622e-04
Mass of water (kg) = 9.966e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 3.962e-01
Temperature (°C) = 150.00
Pressure (atm) = 55.85
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Total H = 1.106314e+02
Total O = 5.610546e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 2.622e-04 2.559e-04 -3.581 -3.592 -0.011 0.00
OH- 9.869e-09 9.625e-09 -8.006 -8.017 -0.011 -12.16
H2O 5.551e+01 9.936e-01 1.744 -0.003 0.000 19.58
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -82.006 -82.006 0.000 46.64
C(4) 3.962e-01
CO2 3.597e-01 3.598e-01 -0.444 -0.444 0.000 44.40
(CO2)2 1.812e-02 1.812e-02 -1.742 -1.742 0.000 88.80
HCO3- 2.621e-04 2.557e-04 -3.581 -3.592 -0.011 17.38
CO3-2 4.832e-11 4.375e-11 -10.316 -10.359 -0.043 -23.81
H(0) 4.912e-27
H2 2.456e-27 2.456e-27 -26.610 -26.610 0.000 28.53
O(0) 4.301e-13
O2 2.150e-13 2.151e-13 -12.667 -12.667 0.000 35.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 56 atm)
CH4(g) -79.08 -82.01 -2.93 CH4
CO2(g) 1.66 -0.44 -2.10 CO2 Pressure 49.9 atm, phi 0.913
H2(g) -23.61 -26.61 -3.00 H2
H2O(g) 0.67 -0.00 -0.67 H2O Pressure 5.9 atm, phi 0.788
O2(g) -9.60 -12.67 -3.06 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 79.56 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 3.75e-01 liters/mole
P * Vm / RT: 0.86026 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.86 7.297e+01 0.880 1.605e+00 2.443e+00 8.376e-01
H2O(g) 0.82 6.593e+00 0.716 1.905e-01 2.207e-01 3.020e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.595e-01 5.572e-01
----------------------------Description of solution----------------------------
pH = 3.518 Charge balance
pe = 8.013 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 248
Density (g/cm³) = 0.92293
Volume (L) = 1.10577
Viscosity (mPa s) = 0.18596
Activity of water = 0.991
Ionic strength (mol/kgw) = 3.114e-04
Mass of water (kg) = 9.960e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 5.595e-01
Temperature (°C) = 150.00
Pressure (atm) = 79.56
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Total H = 1.105710e+02
Total O = 5.640001e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.114e-04 3.033e-04 -3.507 -3.518 -0.011 0.00
OH- 8.504e-09 8.275e-09 -8.070 -8.082 -0.012 -12.20
H2O 5.551e+01 9.911e-01 1.744 -0.004 0.000 19.56
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.896 -81.896 0.000 46.52
C(4) 5.595e-01
CO2 4.915e-01 4.915e-01 -0.308 -0.308 0.000 44.24
(CO2)2 3.382e-02 3.382e-02 -1.471 -1.471 0.000 88.47
HCO3- 3.114e-04 3.032e-04 -3.507 -3.518 -0.012 17.65
CO3-2 5.008e-11 4.496e-11 -10.300 -10.347 -0.047 -23.21
H(0) 4.775e-27
H2 2.388e-27 2.388e-27 -26.622 -26.622 0.000 28.52
O(0) 4.366e-13
O2 2.183e-13 2.183e-13 -12.661 -12.661 0.000 35.57
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 80 atm)
CH4(g) -78.96 -81.90 -2.94 CH4
CO2(g) 1.81 -0.31 -2.12 CO2 Pressure 73.0 atm, phi 0.880
H2(g) -23.61 -26.62 -3.01 H2
H2O(g) 0.67 -0.00 -0.68 H2O Pressure 6.6 atm, phi 0.716
O2(g) -9.59 -12.66 -3.07 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 102.37 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.81e-01 liters/mole
P * Vm / RT: 0.82934 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 1.98 9.505e+01 0.850 2.443e+00 3.301e+00 8.578e-01
H2O(g) 0.86 7.320e+00 0.652 2.207e-01 2.542e-01 3.349e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.026e-01 6.994e-01
----------------------------Description of solution----------------------------
pH = 3.469 Charge balance
pe = 8.063 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 275
Density (g/cm³) = 0.92467
Volume (L) = 1.10980
Viscosity (mPa s) = 0.18681
Activity of water = 0.989
Ionic strength (mol/kgw) = 3.496e-04
Mass of water (kg) = 9.954e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 7.026e-01
Temperature (°C) = 150.00
Pressure (atm) = 102.37
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.105041e+02
Total O = 5.665087e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.496e-04 3.400e-04 -3.456 -3.469 -0.012 0.00
OH- 7.742e-09 7.522e-09 -8.111 -8.124 -0.012 -12.24
H2O 5.551e+01 9.889e-01 1.744 -0.005 0.000 19.53
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.815 -81.815 0.000 46.41
C(4) 7.026e-01
CO2 6.011e-01 6.012e-01 -0.221 -0.221 0.000 44.08
(CO2)2 5.059e-02 5.059e-02 -1.296 -1.296 0.000 88.16
HCO3- 3.496e-04 3.398e-04 -3.456 -3.469 -0.012 17.90
CO3-2 5.169e-11 4.614e-11 -10.287 -10.336 -0.049 -22.66
H(0) 4.696e-27
H2 2.348e-27 2.348e-27 -26.629 -26.629 0.000 28.51
O(0) 4.340e-13
O2 2.170e-13 2.170e-13 -12.664 -12.664 0.000 35.47
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 102 atm)
CH4(g) -78.86 -81.81 -2.95 CH4
CO2(g) 1.91 -0.22 -2.13 CO2 Pressure 95.0 atm, phi 0.850
H2(g) -23.61 -26.63 -3.02 H2
H2O(g) 0.68 -0.00 -0.68 H2O Pressure 7.3 atm, phi 0.652
O2(g) -9.58 -12.66 -3.08 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 124.54 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 2.24e-01 liters/mole
P * Vm / RT: 0.80302 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.07 1.164e+02 0.823 3.301e+00 4.175e+00 8.749e-01
H2O(g) 0.91 8.113e+00 0.594 2.542e-01 2.910e-01 3.678e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.289e-01 8.246e-01
----------------------------Description of solution----------------------------
pH = 3.432 Charge balance
pe = 8.100 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 296
Density (g/cm³) = 0.92633
Volume (L) = 1.11305
Viscosity (mPa s) = 0.18760
Activity of water = 0.987
Ionic strength (mol/kgw) = 3.809e-04
Mass of water (kg) = 9.948e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 8.289e-01
Temperature (°C) = 150.00
Pressure (atm) = 124.54
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.104305e+02
Total O = 5.686437e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 3.809e-04 3.700e-04 -3.419 -3.432 -0.013 0.00
OH- 7.255e-09 7.041e-09 -8.139 -8.152 -0.013 -12.28
H2O 5.551e+01 9.870e-01 1.744 -0.006 0.000 19.50
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.769 -81.769 0.000 46.30
C(4) 8.289e-01
CO2 6.938e-01 6.938e-01 -0.159 -0.159 0.000 43.93
(CO2)2 6.738e-02 6.739e-02 -1.171 -1.171 0.000 87.87
HCO3- 3.808e-04 3.698e-04 -3.419 -3.432 -0.013 18.14
CO3-2 5.323e-11 4.730e-11 -10.274 -10.325 -0.051 -22.13
H(0) 4.594e-27
H2 2.297e-27 2.297e-27 -26.639 -26.639 0.000 28.50
O(0) 4.368e-13
O2 2.184e-13 2.184e-13 -12.661 -12.661 0.000 35.37
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 125 atm)
CH4(g) -78.80 -81.77 -2.97 CH4
CO2(g) 1.98 -0.16 -2.14 CO2 Pressure 116.4 atm, phi 0.823
H2(g) -23.62 -26.64 -3.02 H2
H2O(g) 0.68 -0.01 -0.69 H2O Pressure 8.1 atm, phi 0.594
O2(g) -9.57 -12.66 -3.09 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 146.37 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.85e-01 liters/mole
P * Vm / RT: 0.78132 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.14 1.374e+02 0.799 4.175e+00 5.064e+00 8.887e-01
H2O(g) 0.95 8.979e+00 0.543 2.910e-01 3.310e-01 4.000e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 9.415e-01 9.358e-01
----------------------------Description of solution----------------------------
pH = 3.403 Charge balance
pe = 8.129 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 314
Density (g/cm³) = 0.92793
Volume (L) = 1.11563
Viscosity (mPa s) = 0.18836
Activity of water = 0.985
Ionic strength (mol/kgw) = 4.076e-04
Mass of water (kg) = 9.940e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 9.415e-01
Temperature (°C) = 150.00
Pressure (atm) = 146.37
Electrical balance (eq) = -1.210e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.103505e+02
Total O = 5.704694e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.076e-04 3.957e-04 -3.390 -3.403 -0.013 0.00
OH- 6.917e-09 6.707e-09 -8.160 -8.173 -0.013 -12.33
H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 19.48
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.729 -81.729 0.000 46.20
C(4) 9.415e-01
CO2 7.735e-01 7.736e-01 -0.112 -0.111 0.000 43.79
(CO2)2 8.376e-02 8.377e-02 -1.077 -1.077 0.000 87.58
HCO3- 4.076e-04 3.954e-04 -3.390 -3.403 -0.013 18.38
CO3-2 5.474e-11 4.846e-11 -10.262 -10.315 -0.053 -21.62
H(0) 4.520e-27
H2 2.260e-27 2.260e-27 -26.646 -26.646 0.000 28.49
O(0) 4.350e-13
O2 2.175e-13 2.175e-13 -12.663 -12.662 0.000 35.28
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 146 atm)
CH4(g) -78.75 -81.73 -2.98 CH4
CO2(g) 2.04 -0.11 -2.15 CO2 Pressure 137.4 atm, phi 0.799
H2(g) -23.61 -26.65 -3.03 H2
H2O(g) 0.69 -0.01 -0.69 H2O Pressure 9.0 atm, phi 0.543
O2(g) -9.56 -12.66 -3.10 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 168.19 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.58e-01 liters/mole
P * Vm / RT: 0.76424 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.20 1.583e+02 0.777 5.064e+00 5.964e+00 8.996e-01
H2O(g) 1.00 9.926e+00 0.496 3.310e-01 3.740e-01 4.308e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.043e+00 1.036e+00
----------------------------Description of solution----------------------------
pH = 3.378 Charge balance
pe = 8.156 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 329
Density (g/cm³) = 0.92950
Volume (L) = 1.11766
Viscosity (mPa s) = 0.18910
Activity of water = 0.984
Ionic strength (mol/kgw) = 4.313e-04
Mass of water (kg) = 9.933e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.043e+00
Temperature (°C) = 150.00
Pressure (atm) = 168.19
Electrical balance (eq) = -1.208e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.102643e+02
Total O = 5.720459e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.313e-04 4.184e-04 -3.365 -3.378 -0.013 0.00
OH- 6.670e-09 6.462e-09 -8.176 -8.190 -0.014 -12.37
H2O 5.551e+01 9.840e-01 1.744 -0.007 0.000 19.45
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.722 -81.722 0.000 46.09
C(4) 1.043e+00
CO2 8.436e-01 8.436e-01 -0.074 -0.074 0.000 43.65
(CO2)2 9.962e-02 9.963e-02 -1.002 -1.002 0.000 87.31
HCO3- 4.313e-04 4.180e-04 -3.365 -3.379 -0.014 18.60
CO3-2 5.623e-11 4.962e-11 -10.250 -10.304 -0.054 -21.12
H(0) 4.386e-27
H2 2.193e-27 2.193e-27 -26.659 -26.659 0.000 28.48
O(0) 4.456e-13
O2 2.228e-13 2.228e-13 -12.652 -12.652 0.000 35.18
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 168 atm)
CH4(g) -78.73 -81.72 -2.99 CH4
CO2(g) 2.09 -0.07 -2.16 CO2 Pressure 158.3 atm, phi 0.777
H2(g) -23.62 -26.66 -3.04 H2
H2O(g) 0.69 -0.01 -0.70 H2O Pressure 9.9 atm, phi 0.496
O2(g) -9.54 -12.65 -3.11 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 190.35 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.37e-01 liters/mole
P * Vm / RT: 0.75179 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.25 1.794e+02 0.757 5.964e+00 6.872e+00 9.080e-01
H2O(g) 1.04 1.096e+01 0.454 3.740e-01 4.200e-01 4.597e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.137e+00 1.128e+00
----------------------------Description of solution----------------------------
pH = 3.357 Charge balance
pe = 8.177 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 343
Density (g/cm³) = 0.93106
Volume (L) = 1.11925
Viscosity (mPa s) = 0.18984
Activity of water = 0.983
Ionic strength (mol/kgw) = 4.530e-04
Mass of water (kg) = 9.924e-01
Total alkalinity (eq/kg) = 1.214e-09
Total CO2 (mol/kg) = 1.137e+00
Temperature (°C) = 150.00
Pressure (atm) = 190.35
Electrical balance (eq) = -1.205e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32
Total H = 1.101724e+02
Total O = 5.734268e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.530e-04 4.391e-04 -3.344 -3.357 -0.014 0.00
OH- 6.481e-09 6.275e-09 -8.188 -8.202 -0.014 -12.41
H2O 5.551e+01 9.826e-01 1.744 -0.008 0.000 19.43
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.704 -81.704 0.000 45.99
C(4) 1.137e+00
CO2 9.064e-01 9.064e-01 -0.043 -0.043 0.000 43.51
(CO2)2 1.150e-01 1.150e-01 -0.939 -0.939 0.000 87.03
HCO3- 4.530e-04 4.387e-04 -3.344 -3.358 -0.014 18.83
CO3-2 5.774e-11 5.082e-11 -10.239 -10.294 -0.055 -20.63
H(0) 4.300e-27
H2 2.150e-27 2.150e-27 -26.668 -26.668 0.000 28.47
O(0) 4.470e-13
O2 2.235e-13 2.235e-13 -12.651 -12.651 0.000 35.09
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 190 atm)
CH4(g) -78.70 -81.70 -3.00 CH4
CO2(g) 2.13 -0.04 -2.18 CO2 Pressure 179.4 atm, phi 0.757
H2(g) -23.62 -26.67 -3.05 H2
H2O(g) 0.70 -0.01 -0.70 H2O Pressure 11.0 atm, phi 0.454
O2(g) -9.53 -12.65 -3.12 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 213.25 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.21e-01 liters/mole
P * Vm / RT: 0.74399 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.30 2.011e+02 0.738 6.872e+00 7.786e+00 9.141e-01
H2O(g) 1.08 1.211e+01 0.416 4.200e-01 4.686e-01 4.860e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.225e+00 1.214e+00
----------------------------Description of solution----------------------------
pH = 3.339 Charge balance
pe = 8.193 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 356
Density (g/cm³) = 0.93265
Volume (L) = 1.12046
Viscosity (mPa s) = 0.19058
Activity of water = 0.981
Ionic strength (mol/kgw) = 4.734e-04
Mass of water (kg) = 9.915e-01
Total alkalinity (eq/kg) = 1.215e-09
Total CO2 (mol/kg) = 1.225e+00
Temperature (°C) = 150.00
Pressure (atm) = 213.25
Electrical balance (eq) = -1.205e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 36
Total H = 1.100752e+02
Total O = 5.746592e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.734e-04 4.586e-04 -3.325 -3.339 -0.014 0.00
OH- 6.334e-09 6.128e-09 -8.198 -8.213 -0.014 -12.45
H2O 5.551e+01 9.814e-01 1.744 -0.008 0.000 19.40
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.662 -81.662 0.000 45.89
C(4) 1.225e+00
CO2 9.639e-01 9.640e-01 -0.016 -0.016 0.000 43.37
(CO2)2 1.301e-01 1.301e-01 -0.886 -0.886 0.000 86.75
HCO3- 4.734e-04 4.582e-04 -3.325 -3.339 -0.014 19.06
CO3-2 5.931e-11 5.207e-11 -10.227 -10.283 -0.056 -20.12
H(0) 4.285e-27
H2 2.142e-27 2.143e-27 -26.669 -26.669 0.000 28.46
O(0) 4.337e-13
O2 2.169e-13 2.169e-13 -12.664 -12.664 0.000 35.00
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 213 atm)
CH4(g) -78.65 -81.66 -3.02 CH4
CO2(g) 2.17 -0.02 -2.19 CO2 Pressure 201.1 atm, phi 0.738
H2(g) -23.61 -26.67 -3.05 H2
H2O(g) 0.70 -0.01 -0.71 H2O Pressure 12.1 atm, phi 0.416
O2(g) -9.53 -12.66 -3.13 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 237.29 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 1.08e-01 liters/mole
P * Vm / RT: 0.74089 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.35 2.239e+02 0.721 7.786e+00 8.704e+00 9.183e-01
H2O(g) 1.13 1.337e+01 0.381 4.686e-01 5.195e-01 5.091e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.308e+00 1.296e+00
----------------------------Description of solution----------------------------
pH = 3.321 Charge balance
pe = 8.212 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 368
Density (g/cm³) = 0.93428
Volume (L) = 1.12137
Viscosity (mPa s) = 0.19135
Activity of water = 0.980
Ionic strength (mol/kgw) = 4.931e-04
Mass of water (kg) = 9.906e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.308e+00
Temperature (°C) = 150.00
Pressure (atm) = 237.29
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 39
Total H = 1.099734e+02
Total O = 5.757837e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 4.931e-04 4.775e-04 -3.307 -3.321 -0.014 0.00
OH- 6.217e-09 6.011e-09 -8.206 -8.221 -0.015 -12.50
H2O 5.551e+01 9.802e-01 1.744 -0.009 0.000 19.38
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.666 -81.666 0.000 45.78
C(4) 1.308e+00
CO2 1.018e+00 1.018e+00 0.008 0.008 0.000 43.23
(CO2)2 1.450e-01 1.450e-01 -0.839 -0.839 0.000 86.46
HCO3- 4.931e-04 4.771e-04 -3.307 -3.321 -0.014 19.30
CO3-2 6.096e-11 5.340e-11 -10.215 -10.272 -0.057 -19.61
H(0) 4.162e-27
H2 2.081e-27 2.081e-27 -26.682 -26.682 0.000 28.45
O(0) 4.421e-13
O2 2.211e-13 2.211e-13 -12.655 -12.655 0.000 34.90
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 237 atm)
CH4(g) -78.64 -81.67 -3.03 CH4
CO2(g) 2.21 0.01 -2.20 CO2 Pressure 223.9 atm, phi 0.721
H2(g) -23.62 -26.68 -3.06 H2
H2O(g) 0.71 -0.01 -0.72 H2O Pressure 13.4 atm, phi 0.381
O2(g) -9.51 -12.66 -3.14 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 262.95 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 9.81e-02 liters/mole
P * Vm / RT: 0.74259 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.39 2.482e+02 0.704 8.704e+00 9.625e+00 9.210e-01
H2O(g) 1.17 1.476e+01 0.350 5.195e-01 5.723e-01 5.282e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.389e+00 1.375e+00
----------------------------Description of solution----------------------------
pH = 3.304 Charge balance
pe = 8.232 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 380
Density (g/cm³) = 0.93600
Volume (L) = 1.12201
Viscosity (mPa s) = 0.19216
Activity of water = 0.979
Ionic strength (mol/kgw) = 5.127e-04
Mass of water (kg) = 9.897e-01
Total alkalinity (eq/kg) = 1.216e-09
Total CO2 (mol/kg) = 1.389e+00
Temperature (°C) = 150.00
Pressure (atm) = 262.95
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.098677e+02
Total O = 5.768358e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.127e-04 4.962e-04 -3.290 -3.304 -0.014 0.00
OH- 6.123e-09 5.917e-09 -8.213 -8.228 -0.015 -12.55
H2O 5.551e+01 9.791e-01 1.744 -0.009 0.000 19.35
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.678 -81.678 0.000 45.67
C(4) 1.389e+00
CO2 1.069e+00 1.069e+00 0.029 0.029 0.000 43.08
(CO2)2 1.599e-01 1.599e-01 -0.796 -0.796 0.000 86.15
HCO3- 5.127e-04 4.957e-04 -3.290 -3.305 -0.015 19.54
CO3-2 6.273e-11 5.484e-11 -10.202 -10.261 -0.058 -19.07
H(0) 4.026e-27
H2 2.013e-27 2.013e-27 -26.696 -26.696 0.000 28.44
O(0) 4.537e-13
O2 2.268e-13 2.269e-13 -12.644 -12.644 0.000 34.80
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 263 atm)
CH4(g) -78.63 -81.68 -3.04 CH4
CO2(g) 2.24 0.03 -2.21 CO2 Pressure 248.2 atm, phi 0.704
H2(g) -23.62 -26.70 -3.07 H2
H2O(g) 0.71 -0.01 -0.72 H2O Pressure 14.8 atm, phi 0.350
O2(g) -9.49 -12.64 -3.15 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 290.70 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.95e-02 liters/mole
P * Vm / RT: 0.74922 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.44 2.744e+02 0.689 9.625e+00 1.055e+01 9.223e-01
H2O(g) 1.21 1.630e+01 0.321 5.723e-01 6.266e-01 5.427e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.469e+00 1.453e+00
----------------------------Description of solution----------------------------
pH = 3.288 Charge balance
pe = 8.246 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 392
Density (g/cm³) = 0.93782
Volume (L) = 1.12243
Viscosity (mPa s) = 0.19301
Activity of water = 0.978
Ionic strength (mol/kgw) = 5.324e-04
Mass of water (kg) = 9.887e-01
Total alkalinity (eq/kg) = 1.217e-09
Total CO2 (mol/kg) = 1.469e+00
Temperature (°C) = 150.00
Pressure (atm) = 290.70
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 46
Total H = 1.097592e+02
Total O = 5.778462e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.324e-04 5.150e-04 -3.274 -3.288 -0.014 0.00
OH- 6.048e-09 5.842e-09 -8.218 -8.233 -0.015 -12.60
H2O 5.551e+01 9.780e-01 1.744 -0.010 0.000 19.32
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.654 -81.654 0.000 45.55
C(4) 1.469e+00
CO2 1.118e+00 1.118e+00 0.049 0.049 0.000 42.92
(CO2)2 1.751e-01 1.751e-01 -0.757 -0.757 0.000 85.83
HCO3- 5.324e-04 5.146e-04 -3.274 -3.289 -0.015 19.80
CO3-2 6.467e-11 5.641e-11 -10.189 -10.249 -0.059 -18.50
H(0) 3.976e-27
H2 1.988e-27 1.988e-27 -26.702 -26.702 0.000 28.43
O(0) 4.450e-13
O2 2.225e-13 2.226e-13 -12.653 -12.653 0.000 34.70
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 291 atm)
CH4(g) -78.59 -81.65 -3.06 CH4
CO2(g) 2.28 0.05 -2.23 CO2 Pressure 274.4 atm, phi 0.689
H2(g) -23.62 -26.70 -3.08 H2
H2O(g) 0.72 -0.01 -0.73 H2O Pressure 16.3 atm, phi 0.321
O2(g) -9.49 -12.65 -3.17 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 321.10 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 8.23e-02 liters/mole
P * Vm / RT: 0.76099 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.48 3.031e+02 0.675 1.055e+01 1.147e+01 9.226e-01
H2O(g) 1.26 1.802e+01 0.295 6.266e-01 6.818e-01 5.518e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.549e+00 1.530e+00
----------------------------Description of solution----------------------------
pH = 3.272 Charge balance
pe = 8.260 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 405
Density (g/cm³) = 0.93978
Volume (L) = 1.12265
Viscosity (mPa s) = 0.19394
Activity of water = 0.977
Ionic strength (mol/kgw) = 5.529e-04
Mass of water (kg) = 9.877e-01
Total alkalinity (eq/kg) = 1.218e-09
Total CO2 (mol/kg) = 1.549e+00
Temperature (°C) = 150.00
Pressure (atm) = 321.10
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 50
Total H = 1.096489e+02
Total O = 5.788425e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.529e-04 5.345e-04 -3.257 -3.272 -0.015 0.00
OH- 5.991e-09 5.783e-09 -8.223 -8.238 -0.015 -12.66
H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 19.28
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.634 -81.634 0.000 45.43
C(4) 1.549e+00
CO2 1.167e+00 1.167e+00 0.067 0.067 0.000 42.75
(CO2)2 1.907e-01 1.907e-01 -0.720 -0.720 0.000 85.49
HCO3- 5.528e-04 5.340e-04 -3.257 -3.272 -0.015 20.08
CO3-2 6.681e-11 5.815e-11 -10.175 -10.235 -0.060 -17.89
H(0) 3.916e-27
H2 1.958e-27 1.958e-27 -26.708 -26.708 0.000 28.42
O(0) 4.373e-13
O2 2.186e-13 2.187e-13 -12.660 -12.660 0.000 34.58
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 321 atm)
CH4(g) -78.56 -81.63 -3.08 CH4
CO2(g) 2.31 0.07 -2.24 CO2 Pressure 303.1 atm, phi 0.675
H2(g) -23.62 -26.71 -3.09 H2
H2O(g) 0.73 -0.01 -0.74 H2O Pressure 18.0 atm, phi 0.295
O2(g) -9.48 -12.66 -3.18 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 15.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 354.75 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.62e-02 liters/mole
P * Vm / RT: 0.77814 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.52 3.348e+02 0.662 1.147e+01 1.239e+01 9.219e-01
H2O(g) 1.30 1.992e+01 0.272 6.818e-01 7.373e-01 5.548e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.630e+00 1.608e+00
----------------------------Description of solution----------------------------
pH = 3.256 Charge balance
pe = 8.278 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 417
Density (g/cm³) = 0.94192
Volume (L) = 1.12269
Viscosity (mPa s) = 0.19496
Activity of water = 0.976
Ionic strength (mol/kgw) = 5.742e-04
Mass of water (kg) = 9.867e-01
Total alkalinity (eq/kg) = 1.220e-09
Total CO2 (mol/kg) = 1.630e+00
Temperature (°C) = 150.00
Pressure (atm) = 354.75
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 55
Total H = 1.095379e+02
Total O = 5.798496e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.742e-04 5.549e-04 -3.241 -3.256 -0.015 0.00
OH- 5.950e-09 5.741e-09 -8.225 -8.241 -0.016 -12.72
H2O 5.551e+01 9.758e-01 1.744 -0.011 0.000 19.25
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.649 -81.649 0.000 45.29
C(4) 1.630e+00
CO2 1.215e+00 1.216e+00 0.085 0.085 0.000 42.56
(CO2)2 2.068e-01 2.068e-01 -0.684 -0.684 0.000 85.12
HCO3- 5.742e-04 5.543e-04 -3.241 -3.256 -0.015 20.39
CO3-2 6.921e-11 6.011e-11 -10.160 -10.221 -0.061 -17.24
H(0) 3.774e-27
H2 1.887e-27 1.887e-27 -26.724 -26.724 0.000 28.41
O(0) 4.468e-13
O2 2.234e-13 2.234e-13 -12.651 -12.651 0.000 34.46
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 355 atm)
CH4(g) -78.55 -81.65 -3.09 CH4
CO2(g) 2.35 0.08 -2.26 CO2 Pressure 334.8 atm, phi 0.662
H2(g) -23.62 -26.72 -3.10 H2
H2O(g) 0.73 -0.01 -0.74 H2O Pressure 19.9 atm, phi 0.272
O2(g) -9.46 -12.65 -3.19 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 16.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 392.31 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 7.09e-02 liters/mole
P * Vm / RT: 0.80101 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.57 3.703e+02 0.650 1.239e+01 1.331e+01 9.204e-01
H2O(g) 1.34 2.204e+01 0.250 7.373e-01 7.924e-01 5.509e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.712e+00 1.688e+00
----------------------------Description of solution----------------------------
pH = 3.239 Charge balance
pe = 8.295 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 431
Density (g/cm³) = 0.94427
Volume (L) = 1.12256
Viscosity (mPa s) = 0.19607
Activity of water = 0.975
Ionic strength (mol/kgw) = 5.969e-04
Mass of water (kg) = 9.857e-01
Total alkalinity (eq/kg) = 1.221e-09
Total CO2 (mol/kg) = 1.712e+00
Temperature (°C) = 150.00
Pressure (atm) = 392.31
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 61
Total H = 1.094277e+02
Total O = 5.808901e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 5.969e-04 5.766e-04 -3.224 -3.239 -0.015 0.00
OH- 5.927e-09 5.716e-09 -8.227 -8.243 -0.016 -12.79
H2O 5.551e+01 9.747e-01 1.744 -0.011 0.000 19.21
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.655 -81.655 0.000 45.15
C(4) 1.712e+00
CO2 1.264e+00 1.264e+00 0.102 0.102 0.000 42.36
(CO2)2 2.237e-01 2.237e-01 -0.650 -0.650 0.000 84.72
HCO3- 5.969e-04 5.760e-04 -3.224 -3.240 -0.016 20.71
CO3-2 7.193e-11 6.234e-11 -10.143 -10.205 -0.062 -16.53
H(0) 3.651e-27
H2 1.825e-27 1.826e-27 -26.739 -26.739 0.000 28.39
O(0) 4.502e-13
O2 2.251e-13 2.251e-13 -12.648 -12.648 0.000 34.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 392 atm)
CH4(g) -78.54 -81.65 -3.12 CH4
CO2(g) 2.38 0.10 -2.28 CO2 Pressure 370.3 atm, phi 0.650
H2(g) -23.62 -26.74 -3.12 H2
H2O(g) 0.74 -0.01 -0.75 H2O Pressure 22.0 atm, phi 0.250
O2(g) -9.44 -12.65 -3.21 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 17.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 434.51 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.63e-02 liters/mole
P * Vm / RT: 0.82997 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.61 4.101e+02 0.640 1.331e+01 1.423e+01 9.182e-01
H2O(g) 1.39 2.439e+01 0.231 7.924e-01 8.463e-01 5.394e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.797e+00 1.769e+00
----------------------------Description of solution----------------------------
pH = 3.222 Charge balance
pe = 8.314 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 445
Density (g/cm³) = 0.94686
Volume (L) = 1.12226
Viscosity (mPa s) = 0.19732
Activity of water = 0.974
Ionic strength (mol/kgw) = 6.213e-04
Mass of water (kg) = 9.847e-01
Total alkalinity (eq/kg) = 1.222e-09
Total CO2 (mol/kg) = 1.797e+00
Temperature (°C) = 150.00
Pressure (atm) = 434.51
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 83
Total H = 1.093198e+02
Total O = 5.819857e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.213e-04 5.998e-04 -3.207 -3.222 -0.015 0.00
OH- 5.923e-09 5.708e-09 -8.227 -8.244 -0.016 -12.87
H2O 5.551e+01 9.735e-01 1.744 -0.012 0.000 19.17
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.671 -81.671 0.000 44.99
C(4) 1.797e+00
CO2 1.313e+00 1.313e+00 0.118 0.118 0.000 42.14
(CO2)2 2.414e-01 2.415e-01 -0.617 -0.617 0.000 84.28
HCO3- 6.213e-04 5.991e-04 -3.207 -3.222 -0.016 21.07
CO3-2 7.503e-11 6.488e-11 -10.125 -10.188 -0.063 -15.75
H(0) 3.502e-27
H2 1.751e-27 1.751e-27 -26.757 -26.757 0.000 28.38
O(0) 4.583e-13
O2 2.292e-13 2.292e-13 -12.640 -12.640 0.000 34.18
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 435 atm)
CH4(g) -78.53 -81.67 -3.14 CH4
CO2(g) 2.42 0.12 -2.30 CO2 Pressure 410.1 atm, phi 0.640
H2(g) -23.62 -26.76 -3.13 H2
H2O(g) 0.75 -0.01 -0.76 H2O Pressure 24.4 atm, phi 0.231
O2(g) -9.41 -12.64 -3.22 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 18.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 482.20 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 6.23e-02 liters/mole
P * Vm / RT: 0.86552 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.66 4.552e+02 0.633 1.423e+01 1.515e+01 9.155e-01
H2O(g) 1.43 2.700e+01 0.214 8.463e-01 8.983e-01 5.197e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.884e+00 1.854e+00
----------------------------Description of solution----------------------------
pH = 3.204 Charge balance
pe = 8.328 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 461
Density (g/cm³) = 0.94973
Volume (L) = 1.12180
Viscosity (mPa s) = 0.19870
Activity of water = 0.972
Ionic strength (mol/kgw) = 6.477e-04
Mass of water (kg) = 9.838e-01
Total alkalinity (eq/kg) = 1.223e-09
Total CO2 (mol/kg) = 1.884e+00
Temperature (°C) = 150.00
Pressure (atm) = 482.20
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 89
Total H = 1.092159e+02
Total O = 5.831568e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.477e-04 6.249e-04 -3.189 -3.204 -0.016 0.00
OH- 5.940e-09 5.721e-09 -8.226 -8.243 -0.016 -12.96
H2O 5.551e+01 9.724e-01 1.744 -0.012 0.000 19.12
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.648 -81.648 0.000 44.82
C(4) 1.884e+00
CO2 1.363e+00 1.363e+00 0.135 0.135 0.000 41.90
(CO2)2 2.602e-01 2.602e-01 -0.585 -0.585 0.000 83.81
HCO3- 6.477e-04 6.243e-04 -3.189 -3.205 -0.016 21.46
CO3-2 7.860e-11 6.782e-11 -10.105 -10.169 -0.064 -14.91
H(0) 3.429e-27
H2 1.715e-27 1.715e-27 -26.766 -26.766 0.000 28.36
O(0) 4.443e-13
O2 2.222e-13 2.222e-13 -12.653 -12.653 0.000 34.02
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 482 atm)
CH4(g) -78.48 -81.65 -3.16 CH4
CO2(g) 2.46 0.13 -2.32 CO2 Pressure 455.2 atm, phi 0.633
H2(g) -23.62 -26.77 -3.15 H2
H2O(g) 0.76 -0.01 -0.77 H2O Pressure 27.0 atm, phi 0.214
O2(g) -9.41 -12.65 -3.24 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 19.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 536.30 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.88e-02 liters/mole
P * Vm / RT: 0.90821 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.70 5.064e+02 0.627 1.515e+01 1.606e+01 9.121e-01
H2O(g) 1.48 2.988e+01 0.199 8.983e-01 9.474e-01 4.911e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.975e+00 1.942e+00
----------------------------Description of solution----------------------------
pH = 3.185 Charge balance
pe = 8.349 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 478
Density (g/cm³) = 0.95293
Volume (L) = 1.12117
Viscosity (mPa s) = 0.20026
Activity of water = 0.971
Ionic strength (mol/kgw) = 6.766e-04
Mass of water (kg) = 9.829e-01
Total alkalinity (eq/kg) = 1.224e-09
Total CO2 (mol/kg) = 1.975e+00
Temperature (°C) = 150.00
Pressure (atm) = 536.30
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 96
Total H = 1.091177e+02
Total O = 5.844233e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 6.766e-04 6.524e-04 -3.170 -3.185 -0.016 0.00
OH- 5.982e-09 5.758e-09 -8.223 -8.240 -0.017 -13.06
H2O 5.551e+01 9.712e-01 1.744 -0.013 0.000 19.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -81.681 -81.681 0.000 44.63
C(4) 1.975e+00
CO2 1.415e+00 1.415e+00 0.151 0.151 0.000 41.65
(CO2)2 2.801e-01 2.802e-01 -0.553 -0.553 0.000 83.29
HCO3- 6.766e-04 6.517e-04 -3.170 -3.186 -0.016 21.88
CO3-2 8.275e-11 7.122e-11 -10.082 -10.147 -0.065 -13.99
H(0) 3.239e-27
H2 1.620e-27 1.620e-27 -26.791 -26.791 0.000 28.34
O(0) 4.584e-13
O2 2.292e-13 2.292e-13 -12.640 -12.640 0.000 33.84
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 536 atm)
CH4(g) -78.49 -81.68 -3.19 CH4
CO2(g) 2.50 0.15 -2.35 CO2 Pressure 506.4 atm, phi 0.627
H2(g) -23.62 -26.79 -3.17 H2
H2O(g) 0.77 -0.01 -0.79 H2O Pressure 29.9 atm, phi 0.199
O2(g) -9.37 -12.64 -3.27 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 20.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 597.87 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.57e-02 liters/mole
P * Vm / RT: 0.95873 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.75 5.648e+02 0.625 1.606e+01 1.697e+01 9.083e-01
H2O(g) 1.52 3.305e+01 0.185 9.474e-01 9.927e-01 4.531e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.071e+00 2.033e+00
----------------------------Description of solution----------------------------
pH = 3.166 Charge balance
pe = 8.720 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 496
Density (g/cm³) = 0.95649
Volume (L) = 1.12036
Viscosity (mPa s) = 0.20201
Activity of water = 0.970
Ionic strength (mol/kgw) = 7.082e-04
Mass of water (kg) = 9.821e-01
Total alkalinity (eq/kg) = 1.225e-09
Total CO2 (mol/kg) = 2.071e+00
Temperature (°C) = 150.00
Pressure (atm) = 597.87
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 40 (141 overall)
Total H = 1.090271e+02
Total O = 5.858049e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.082e-04 6.825e-04 -3.150 -3.166 -0.016 0.00
OH- 6.054e-09 5.824e-09 -8.218 -8.235 -0.017 -13.17
H2O 5.551e+01 9.699e-01 1.744 -0.013 0.000 19.01
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.502 -84.502 0.000 44.42
C(4) 2.071e+00
CO2 1.467e+00 1.467e+00 0.166 0.167 0.000 41.36
(CO2)2 3.013e-01 3.014e-01 -0.521 -0.521 0.000 82.73
HCO3- 7.082e-04 6.817e-04 -3.150 -3.166 -0.017 22.34
CO3-2 8.758e-11 7.519e-11 -10.058 -10.124 -0.066 -12.98
H(0) 6.125e-28
H2 3.062e-28 3.063e-28 -27.514 -27.514 0.000 28.32
O(0) 1.168e-11
O2 5.839e-12 5.840e-12 -11.234 -11.234 0.000 33.65
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 598 atm)
CH4(g) -81.28 -84.50 -3.23 CH4
CO2(g) 2.55 0.17 -2.38 CO2 Pressure 564.8 atm, phi 0.625
H2(g) -24.32 -27.51 -3.19 H2
H2O(g) 0.79 -0.01 -0.80 H2O Pressure 33.0 atm, phi 0.185
O2(g) -7.94 -11.23 -3.29 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 21.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 668.12 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.29e-02 liters/mole
P * Vm / RT: 1.01785 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.80 6.316e+02 0.626 1.697e+01 1.787e+01 9.039e-01
H2O(g) 1.56 3.652e+01 0.174 9.927e-01 1.033e+00 4.054e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.170e+00 2.130e+00
----------------------------Description of solution----------------------------
pH = 3.145 Charge balance
pe = 8.740 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 516
Density (g/cm³) = 0.96046
Volume (L) = 1.11937
Viscosity (mPa s) = 0.20398
Activity of water = 0.969
Ionic strength (mol/kgw) = 7.432e-04
Mass of water (kg) = 9.814e-01
Total alkalinity (eq/kg) = 1.224e-09
Total CO2 (mol/kg) = 2.170e+00
Temperature (°C) = 150.00
Pressure (atm) = 668.12
Electrical balance (eq) = -1.201e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31 (132 overall)
Total H = 1.089460e+02
Total O = 5.873211e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.432e-04 7.158e-04 -3.129 -3.145 -0.016 0.00
OH- 6.164e-09 5.926e-09 -8.210 -8.227 -0.017 -13.29
H2O 5.551e+01 9.686e-01 1.744 -0.014 0.000 18.94
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.515 -84.515 0.000 44.20
C(4) 2.170e+00
CO2 1.521e+00 1.521e+00 0.182 0.182 0.000 41.06
(CO2)2 3.240e-01 3.240e-01 -0.489 -0.489 0.000 82.11
HCO3- 7.432e-04 7.149e-04 -3.129 -3.146 -0.017 22.84
CO3-2 9.326e-11 7.984e-11 -10.030 -10.098 -0.067 -11.89
H(0) 5.807e-28
H2 2.903e-28 2.904e-28 -27.537 -27.537 0.000 28.30
O(0) 1.168e-11
O2 5.842e-12 5.843e-12 -11.233 -11.233 0.000 33.44
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 668 atm)
CH4(g) -81.25 -84.51 -3.26 CH4
CO2(g) 2.60 0.18 -2.42 CO2 Pressure 631.6 atm, phi 0.626
H2(g) -24.32 -27.54 -3.22 H2
H2O(g) 0.80 -0.01 -0.82 H2O Pressure 36.5 atm, phi 0.174
O2(g) -7.91 -11.23 -3.32 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 22.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 748.42 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 5.04e-02 liters/mole
P * Vm / RT: 1.08651 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.85 7.081e+02 0.632 1.787e+01 1.877e+01 8.991e-01
H2O(g) 1.61 4.029e+01 0.164 1.033e+00 1.068e+00 3.480e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.274e+00 2.230e+00
----------------------------Description of solution----------------------------
pH = 3.123 Charge balance
pe = 8.761 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 538
Density (g/cm³) = 0.96488
Volume (L) = 1.11819
Viscosity (mPa s) = 0.20621
Activity of water = 0.967
Ionic strength (mol/kgw) = 7.819e-04
Mass of water (kg) = 9.807e-01
Total alkalinity (eq/kg) = 1.225e-09
Total CO2 (mol/kg) = 2.274e+00
Temperature (°C) = 150.00
Pressure (atm) = 748.42
Electrical balance (eq) = -1.201e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 35 (136 overall)
Total H = 1.088764e+02
Total O = 5.889912e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.819e-04 7.526e-04 -3.107 -3.123 -0.017 0.00
OH- 6.322e-09 6.072e-09 -8.199 -8.217 -0.017 -13.43
H2O 5.551e+01 9.672e-01 1.744 -0.014 0.000 18.87
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.531 -84.531 0.000 43.96
C(4) 2.274e+00
CO2 1.577e+00 1.577e+00 0.198 0.198 0.000 40.72
(CO2)2 3.482e-01 3.483e-01 -0.458 -0.458 0.000 81.45
HCO3- 7.819e-04 7.516e-04 -3.107 -3.124 -0.017 23.39
CO3-2 9.996e-11 8.534e-11 -10.000 -10.069 -0.069 -10.71
H(0) 5.464e-28
H2 2.732e-28 2.733e-28 -27.564 -27.563 0.000 28.28
O(0) 1.170e-11
O2 5.848e-12 5.849e-12 -11.233 -11.233 0.000 33.21
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 748 atm)
CH4(g) -81.23 -84.53 -3.31 CH4
CO2(g) 2.65 0.20 -2.45 CO2 Pressure 708.1 atm, phi 0.632
H2(g) -24.32 -27.56 -3.24 H2
H2O(g) 0.82 -0.01 -0.84 H2O Pressure 40.3 atm, phi 0.164
O2(g) -7.88 -11.23 -3.35 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 23.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 840.34 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.82e-02 liters/mole
P * Vm / RT: 1.16578 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.90 7.960e+02 0.644 1.877e+01 1.966e+01 8.938e-01
H2O(g) 1.65 4.437e+01 0.156 1.068e+00 1.096e+00 2.810e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.384e+00 2.337e+00
----------------------------Description of solution----------------------------
pH = 3.101 Charge balance
pe = 8.783 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 562
Density (g/cm³) = 0.96981
Volume (L) = 1.11681
Viscosity (mPa s) = 0.20874
Activity of water = 0.966
Ionic strength (mol/kgw) = 8.249e-04
Mass of water (kg) = 9.802e-01
Total alkalinity (eq/kg) = 1.227e-09
Total CO2 (mol/kg) = 2.384e+00
Temperature (°C) = 150.00
Pressure (atm) = 840.34
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32 (133 overall)
Total H = 1.088202e+02
Total O = 5.908349e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.249e-04 7.934e-04 -3.084 -3.101 -0.017 0.00
OH- 6.539e-09 6.276e-09 -8.184 -8.202 -0.018 -13.58
H2O 5.551e+01 9.658e-01 1.744 -0.015 0.000 18.79
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.552 -84.552 0.000 43.71
C(4) 2.384e+00
CO2 1.635e+00 1.635e+00 0.213 0.214 0.000 40.37
(CO2)2 3.741e-01 3.742e-01 -0.427 -0.427 0.000 80.73
HCO3- 8.249e-04 7.923e-04 -3.084 -3.101 -0.017 23.97
CO3-2 1.079e-10 9.186e-11 -9.967 -10.037 -0.070 -9.44
H(0) 5.098e-28
H2 2.549e-28 2.550e-28 -27.594 -27.594 0.000 28.25
O(0) 1.171e-11
O2 5.855e-12 5.857e-12 -11.232 -11.232 0.000 32.97
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 840 atm)
CH4(g) -81.20 -84.55 -3.35 CH4
CO2(g) 2.71 0.21 -2.50 CO2 Pressure 796.0 atm, phi 0.644
H2(g) -24.32 -27.59 -3.28 H2
H2O(g) 0.84 -0.02 -0.86 H2O Pressure 44.4 atm, phi 0.156
O2(g) -7.85 -11.23 -3.39 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 24.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 945.69 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.62e-02 liters/mole
P * Vm / RT: 1.25693 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 2.95 8.970e+02 0.663 1.966e+01 2.055e+01 8.879e-01
H2O(g) 1.69 4.873e+01 0.150 1.096e+00 1.117e+00 2.047e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.499e+00 2.449e+00
----------------------------Description of solution----------------------------
pH = 3.076 Charge balance
pe = 8.805 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 589
Density (g/cm³) = 0.97529
Volume (L) = 1.11521
Viscosity (mPa s) = 0.21160
Activity of water = 0.964
Ionic strength (mol/kgw) = 8.727e-04
Mass of water (kg) = 9.799e-01
Total alkalinity (eq/kg) = 1.228e-09
Total CO2 (mol/kg) = 2.499e+00
Temperature (°C) = 150.00
Pressure (atm) = 945.69
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 37 (138 overall)
Total H = 1.087793e+02
Total O = 5.928720e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 8.727e-04 8.387e-04 -3.059 -3.076 -0.017 0.00
OH- 6.834e-09 6.554e-09 -8.165 -8.183 -0.018 -13.75
H2O 5.551e+01 9.643e-01 1.744 -0.016 0.000 18.70
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.577 -84.577 0.000 43.43
C(4) 2.499e+00
CO2 1.694e+00 1.695e+00 0.229 0.229 0.000 39.98
(CO2)2 4.019e-01 4.020e-01 -0.396 -0.396 0.000 79.97
HCO3- 8.727e-04 8.376e-04 -3.059 -3.077 -0.018 24.60
CO3-2 1.174e-10 9.965e-11 -9.930 -10.002 -0.071 -8.08
H(0) 4.713e-28
H2 2.357e-28 2.357e-28 -27.628 -27.628 0.000 28.22
O(0) 1.172e-11
O2 5.859e-12 5.860e-12 -11.232 -11.232 0.000 32.70
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 946 atm)
CH4(g) -81.17 -84.58 -3.41 CH4
CO2(g) 2.77 0.23 -2.54 CO2 Pressure 897.0 atm, phi 0.663
H2(g) -24.32 -27.63 -3.31 H2
H2O(g) 0.86 -0.02 -0.88 H2O Pressure 48.7 atm, phi 0.150
O2(g) -7.81 -11.23 -3.43 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 25.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1066.57 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.43e-02 liters/mole
P * Vm / RT: 1.36145 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.01 1.013e+03 0.690 2.055e+01 2.143e+01 8.815e-01
H2O(g) 1.73 5.335e+01 0.146 1.117e+00 1.129e+00 1.199e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.621e+00 2.567e+00
----------------------------Description of solution----------------------------
pH = 3.051 Charge balance
pe = 8.829 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 618
Density (g/cm³) = 0.98137
Volume (L) = 1.11340
Viscosity (mPa s) = 0.21484
Activity of water = 0.963
Ionic strength (mol/kgw) = 9.259e-04
Mass of water (kg) = 9.797e-01
Total alkalinity (eq/kg) = 1.228e-09
Total CO2 (mol/kg) = 2.621e+00
Temperature (°C) = 150.00
Pressure (atm) = 1066.57
Electrical balance (eq) = -1.203e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 38 (139 overall)
Total H = 1.087553e+02
Total O = 5.951221e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.259e-04 8.893e-04 -3.033 -3.051 -0.018 0.00
OH- 7.232e-09 6.930e-09 -8.141 -8.159 -0.019 -13.95
H2O 5.551e+01 9.628e-01 1.744 -0.016 0.000 18.61
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.607 -84.607 0.000 43.14
C(4) 2.621e+00
CO2 1.756e+00 1.756e+00 0.245 0.245 0.000 39.58
(CO2)2 4.318e-01 4.319e-01 -0.365 -0.365 0.000 79.16
HCO3- 9.259e-04 8.880e-04 -3.033 -3.052 -0.018 25.27
CO3-2 1.289e-10 1.090e-10 -9.890 -9.963 -0.073 -6.63
H(0) 4.312e-28
H2 2.156e-28 2.156e-28 -27.666 -27.666 0.000 28.19
O(0) 1.171e-11
O2 5.855e-12 5.856e-12 -11.232 -11.232 0.000 32.42
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 1067 atm)
CH4(g) -81.14 -84.61 -3.47 CH4
CO2(g) 2.84 0.24 -2.60 CO2 Pressure 1013.2 atm, phi 0.690
H2(g) -24.31 -27.67 -3.35 H2
H2O(g) 0.89 -0.02 -0.91 H2O Pressure 53.4 atm, phi 0.146
O2(g) -7.76 -11.23 -3.47 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 26.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1205.43 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.27e-02 liters/mole
P * Vm / RT: 1.48111 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.06 1.147e+03 0.729 2.143e+01 2.231e+01 8.745e-01
H2O(g) 1.76 5.818e+01 0.143 1.129e+00 1.131e+00 2.758e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.749e+00 2.693e+00
----------------------------Description of solution----------------------------
pH = 3.024 Charge balance
pe = 8.854 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 650
Density (g/cm³) = 0.98809
Volume (L) = 1.11136
Viscosity (mPa s) = 0.21850
Activity of water = 0.961
Ionic strength (mol/kgw) = 9.853e-04
Mass of water (kg) = 9.796e-01
Total alkalinity (eq/kg) = 1.229e-09
Total CO2 (mol/kg) = 2.749e+00
Temperature (°C) = 150.00
Pressure (atm) = 1205.43
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 42 (143 overall)
Total H = 1.087498e+02
Total O = 5.976045e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 9.853e-04 9.455e-04 -3.006 -3.024 -0.018 0.00
OH- 7.769e-09 7.438e-09 -8.110 -8.129 -0.019 -14.16
H2O 5.551e+01 9.611e-01 1.744 -0.017 0.000 18.50
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.643 -84.643 0.000 42.84
C(4) 2.749e+00
CO2 1.820e+00 1.820e+00 0.260 0.260 0.000 39.15
(CO2)2 4.638e-01 4.639e-01 -0.334 -0.334 0.000 78.30
HCO3- 9.853e-04 9.441e-04 -3.006 -3.025 -0.019 25.98
CO3-2 1.427e-10 1.203e-10 -9.845 -9.920 -0.074 -5.10
H(0) 3.892e-28
H2 1.946e-28 1.946e-28 -27.711 -27.711 0.000 28.16
O(0) 1.172e-11
O2 5.859e-12 5.860e-12 -11.232 -11.232 0.000 32.11
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 1205 atm)
CH4(g) -81.10 -84.64 -3.54 CH4
CO2(g) 2.92 0.26 -2.66 CO2 Pressure 1147.2 atm, phi 0.729
H2(g) -24.31 -27.71 -3.40 H2
H2O(g) 0.92 -0.02 -0.94 H2O Pressure 58.2 atm, phi 0.143
O2(g) -7.71 -11.23 -3.52 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 27.
Using solution 1.
Using gas phase 1.
Using temperature 5.
Using reaction 1.
Reaction 1.
1.000e+00 moles of the following reaction have been added:
Relative
Reactant moles
CO2 1.00000
Relative
Element moles
C 1.00000
O 2.00000
-----------------------------------Gas phase-----------------------------------
Total pressure: 1365.16 atmospheres (Peng-Robinson calculation)
Gas volume: 1.00e+00 liters
Molar volume: 4.12e-02 liters/mole
P * Vm / RT: 1.61801 (Compressibility Factor Z)
Moles in gas
----------------------------------
Component log P P phi Initial Final Delta
CO2(g) 3.11 1.302e+03 0.783 2.231e+01 2.317e+01 8.669e-01
H2O(g) 1.80 6.316e+01 0.143 1.131e+00 1.124e+00 -7.074e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.884e+00 2.826e+00
----------------------------Description of solution----------------------------
pH = 2.996 Charge balance
pe = 8.879 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 150°C) = 685
Density (g/cm³) = 0.99549
Volume (L) = 1.10912
Viscosity (mPa s) = 0.22265
Activity of water = 0.959
Ionic strength (mol/kgw) = 1.052e-03
Mass of water (kg) = 9.797e-01
Total alkalinity (eq/kg) = 1.229e-09
Total CO2 (mol/kg) = 2.884e+00
Temperature (°C) = 150.00
Pressure (atm) = 1365.16
Electrical balance (eq) = -1.204e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 50 (151 overall)
Total H = 1.087639e+02
Total O = 6.003374e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 1.052e-03 1.008e-03 -2.978 -2.996 -0.018 0.00
OH- 8.498e-09 8.128e-09 -8.071 -8.090 -0.019 -14.39
H2O 5.551e+01 9.594e-01 1.744 -0.018 0.000 18.38
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -84.686 -84.686 0.000 42.52
C(4) 2.884e+00
CO2 1.887e+00 1.887e+00 0.276 0.276 0.000 38.70
(CO2)2 4.983e-01 4.984e-01 -0.302 -0.302 0.000 77.40
HCO3- 1.052e-03 1.007e-03 -2.978 -2.997 -0.019 26.72
CO3-2 1.597e-10 1.342e-10 -9.797 -9.872 -0.076 -3.49
H(0) 3.462e-28
H2 1.731e-28 1.731e-28 -27.762 -27.762 0.000 28.12
O(0) 1.172e-11
O2 5.858e-12 5.860e-12 -11.232 -11.232 0.000 31.79
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(423 K, 1365 atm)
CH4(g) -81.07 -84.69 -3.62 CH4
CO2(g) 3.01 0.28 -2.73 CO2 Pressure 1302.0 atm, phi 0.783
H2(g) -24.30 -27.76 -3.46 H2
H2O(g) 0.95 -0.02 -0.97 H2O Pressure 63.2 atm, phi 0.143
O2(g) -7.65 -11.23 -3.58 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
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