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Input file: ex12b
Output file: ex12b.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
MEAN_GAMMAS
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
DATABASE ../database/phreeqc.dat
TITLE Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes.
Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases.
SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
temp 24
Na 24
Cl 24
SOLUTION 1-31 24 mM KBr, initial temp 0C
temp 0
K 24
Br 24
EXCHANGE_SPECIES
K+ + X- = KX
EXCHANGE 1-31
KX 0.048
END
-----
TITLE
-----
Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes.
Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases.
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 1. 24 mM KBr, initial temp 0C
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4 (8 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 1.848e-25
H2 9.239e-26 9.290e-26 -25.034 -25.032 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.126 -51.123 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -22.02 -25.03 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -48.46 -51.12 -2.66 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 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
Using exchange 1.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.146e-02 3.146e-02 6.554e-01 0.000
NaX 1.654e-02 1.654e-02 3.446e-01 -0.063
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
K 1.654e-02 1.654e-02
Na 7.460e-03 7.460e-03
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = -1.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 3061
Density (g/cm³) = 0.99839
Volume (L) = 1.00329
Viscosity (mPa s) = 0.91170
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-15
H2 7.109e-16 7.148e-16 -15.148 -15.146 0.002 28.61
K 1.654e-02
K+ 1.654e-02 1.419e-02 -1.781 -1.848 -0.067 9.08
Na 7.460e-03
Na+ 7.460e-03 6.447e-03 -2.127 -2.191 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.415 -62.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -12.05 -15.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -5.45 -3.88 1.57 NaCl
O2(g) -59.53 -62.41 -2.89 O2
Sylvite -4.43 -3.53 0.89 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
TRANSPORT
cells 10
lengths 0.3333333
shifts 1
flow_direction diffusion
boundary_conditions constant closed
thermal_diffusion 3.0 # heat is retarded equal to Na
diffusion_coefficient 0.3e-9 # m^2/s
time_step 1.0e+9 1 # max_mixf = 2/9 = Dt_max * De / Dx^2. Dt_max = 8.2140e+07 seconds, Number of mixes = 1e10 / 8.214e7 = 122
USER_GRAPH 1 Example 12b
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10.
WARNING: No dispersivities were read; disp = 0 assumed.
-headings Tradit:Na Cl TC Analyt
-chart_title "Compare traditional and multicomponent diffusive transport"
-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS"
-initial_solutions false
-plot_concentration_vs x
-axis_scale sy_axis 0
-start
10 x = DIST
20 PLOT_XY x, TOT("Na")*1000, symbol = Plus
30 PLOT_XY x, TOT("Cl")*1000, symbol = Plus
40 PLOT_XY x, TC, symbol = XCross, y-axis 2 : print tc, diff_c("Cl-")
50 if (x > 10 OR SIM_TIME <= 0) THEN END
60 DATA 0.254829592, -0.284496736, 1.421413741, -1.453152027, 1.061405429, 0.3275911
70 READ a1, a2, a3, a4, a5, a6
80 z = x / (2 * SQRT(3e-10 * SIM_TIME / 1.0))
90 GOSUB 2000
100 PLOT_XY x, 24 * erfc, color = Green, symbol = Square, symbol_size = 8, line_width = 0
110 z = z * SQRT(3.0)
120 GOSUB 2000
130 PLOT_XY x, 24 * erfc, color = Blue, symbol = Square, symbol_size = 8, line_width = 0
140 END
2000 REM calculate erfc...
2050 b = 1 / (1 + a6 * z)
2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z))
2080 RETURN
-end
END
------------------------------------
Beginning of transport calculations.
------------------------------------
-------------------------------
Equilibrating initial solutions
-------------------------------
Using solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 1. 24 mM KBr, initial temp 0C
Using exchange 1.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 2. 24 mM KBr, initial temp 0C
Using exchange 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (26 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 3. 24 mM KBr, initial temp 0C
Using exchange 3.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (39 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 4. 24 mM KBr, initial temp 0C
Using exchange 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (52 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 5. 24 mM KBr, initial temp 0C
Using exchange 5.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (65 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 6. 24 mM KBr, initial temp 0C
Using exchange 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (78 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 7. 24 mM KBr, initial temp 0C
Using exchange 7.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (91 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 8. 24 mM KBr, initial temp 0C
Using exchange 8.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (104 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 9. 24 mM KBr, initial temp 0C
Using exchange 9.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (117 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 10. 24 mM KBr, initial temp 0C
Using exchange 10.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (130 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
WARNING:
Calculating transport: 10 (mobile) cells, 1 shifts, 13 mixruns...
Transport step 1. Mixrun 1.
Transport step 1. Mixrun 2.
Transport step 1. Mixrun 3.
Transport step 1. Mixrun 4.
Transport step 1. Mixrun 5.
Transport step 1. Mixrun 6.
Transport step 1. Mixrun 7.
Transport step 1. Mixrun 8.
Transport step 1. Mixrun 9.
Transport step 1. Mixrun 10.
Transport step 1. Mixrun 11.
Transport step 1. Mixrun 12.
Transport step 1. Mixrun 13.
Using solution 0. Solution after simulation 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 1.
Using exchange 1. Exchange assemblage after simulation 2.
Mixture 1.
4.154e-01 Solution 0 Solution after simulation 2.
3.769e-01 Solution 1 Solution after simulation 2.
2.077e-01 Solution 2 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 3.418e-02 3.418e-02 7.121e-01 -0.063
KX 1.382e-02 1.382e-02 2.879e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.098e-03 4.098e-03
Cl 1.990e-02 1.990e-02
K 7.678e-03 7.678e-03
Na 1.632e-02 1.632e-02
----------------------------Description of solution----------------------------
pH = 7.086 Charge balance
pe = 12.300 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 16°C) = 2435
Density (g/cm³) = 1.00009
Volume (L) = 1.00162
Viscosity (mPa s) = 1.09808
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.086e-08
Temperature (°C) = 16.41
Pressure (atm) = 1.00
Electrical balance (eq) = 2.086e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
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
H+ 9.278e-08 8.203e-08 -7.033 -7.086 -0.053 0.00
OH- 7.242e-08 6.218e-08 -7.140 -7.206 -0.066 -4.40
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 4.098e-03
Br- 4.098e-03 3.507e-03 -2.387 -2.455 -0.068 24.19
Cl 1.990e-02
Cl- 1.990e-02 1.712e-02 -1.701 -1.766 -0.065 17.86
HCl 4.984e-10 5.103e-10 -9.302 -9.292 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.887 -41.885 0.002 28.62
K 7.678e-03
K+ 7.678e-03 6.599e-03 -2.115 -2.181 -0.066 8.79
Na 1.632e-02
Na+ 1.632e-02 1.413e-02 -1.787 -1.850 -0.063 -1.81
O(0) 6.791e-12
O2 3.395e-12 3.414e-12 -11.469 -11.467 0.002 29.65
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(289 K, 1 atm)
H2(g) -38.81 -41.88 -3.08 H2
H2O(g) -1.73 -0.00 1.73 H2O
Halite -5.18 -3.62 1.56 NaCl
O2(g) -8.64 -11.47 -2.82 O2
Sylvite -4.80 -3.95 0.86 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 2.
Using exchange 2. Exchange assemblage after simulation 2.
Mixture 2.
2.077e-01 Solution 1 Solution after simulation 2.
5.846e-01 Solution 2 Solution after simulation 2.
2.077e-01 Solution 3 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.576e-02 3.576e-02 7.450e-01 0.000
NaX 1.224e-02 1.224e-02 2.550e-01 -0.062
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.158e-02 1.158e-02
Cl 1.242e-02 1.242e-02
K 1.854e-02 1.854e-02
Na 5.464e-03 5.464e-03
----------------------------Description of solution----------------------------
pH = 7.138 Charge balance
pe = 13.226 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 6°C) = 2040
Density (g/cm³) = 1.00154
Volume (L) = 1.00067
Viscosity (mPa s) = 1.47979
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.042e-08
Temperature (°C) = 5.80
Pressure (atm) = 1.00
Electrical balance (eq) = 5.042e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 8.216e-08 7.276e-08 -7.085 -7.138 -0.053 0.00
OH- 3.204e-08 2.757e-08 -7.494 -7.560 -0.065 -5.30
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.158e-02
Br- 1.158e-02 9.936e-03 -1.936 -2.003 -0.067 23.24
Cl 1.242e-02
Cl- 1.242e-02 1.071e-02 -1.906 -1.970 -0.064 17.14
HCl 2.953e-10 3.023e-10 -9.530 -9.520 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.792 -43.790 0.002 28.63
K 1.854e-02
K+ 1.854e-02 1.597e-02 -1.732 -1.797 -0.065 8.25
Na 5.464e-03
Na+ 5.464e-03 4.742e-03 -2.262 -2.324 -0.062 -2.69
O(0) 7.479e-12
O2 3.739e-12 3.760e-12 -11.427 -11.425 0.002 28.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(278 K, 1 atm)
H2(g) -40.75 -43.79 -3.04 H2
H2O(g) -2.03 -0.00 2.03 H2O
Halite -5.85 -4.29 1.55 NaCl
O2(g) -8.70 -11.42 -2.72 O2
Sylvite -4.56 -3.77 0.80 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 3.
Using exchange 3. Exchange assemblage after simulation 2.
Mixture 3.
2.077e-01 Solution 2 Solution after simulation 2.
5.846e-01 Solution 3 Solution after simulation 2.
2.077e-01 Solution 4 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.514e-02 4.514e-02 9.405e-01 0.000
NaX 2.855e-03 2.855e-03 5.948e-02 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.728e-02 1.728e-02
Cl 6.719e-03 6.719e-03
K 2.276e-02 2.276e-02
Na 1.241e-03 1.241e-03
----------------------------Description of solution----------------------------
pH = 7.090 Charge balance
pe = 13.856 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1862
Density (g/cm³) = 1.00177
Volume (L) = 1.00076
Viscosity (mPa s) = 1.70216
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.292e-08
Temperature (°C) = 1.44
Pressure (atm) = 1.00
Electrical balance (eq) = 7.292e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
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
H+ 9.168e-08 8.125e-08 -7.038 -7.090 -0.052 0.00
OH- 1.895e-08 1.632e-08 -7.722 -7.787 -0.065 -5.84
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.728e-02
Br- 1.728e-02 1.484e-02 -1.762 -1.829 -0.066 22.70
Cl 6.719e-03
Cl- 6.719e-03 5.798e-03 -2.173 -2.237 -0.064 16.70
HCl 1.835e-10 1.879e-10 -9.736 -9.726 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.935 -44.932 0.002 28.64
K 2.276e-02
K+ 2.276e-02 1.962e-02 -1.643 -1.707 -0.064 7.95
Na 1.241e-03
Na+ 1.241e-03 1.078e-03 -2.906 -2.967 -0.061 -3.16
O(0) 3.370e-11
O2 1.685e-11 1.694e-11 -10.773 -10.771 0.002 27.74
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -41.91 -44.93 -3.02 H2
H2O(g) -2.17 -0.00 2.17 H2O
Halite -6.75 -5.20 1.55 NaCl
O2(g) -8.10 -10.77 -2.68 O2
Sylvite -4.72 -3.94 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 4.
Using exchange 4. Exchange assemblage after simulation 2.
Mixture 4.
2.077e-01 Solution 3 Solution after simulation 2.
5.846e-01 Solution 4 Solution after simulation 2.
2.077e-01 Solution 5 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.753e-02 4.753e-02 9.902e-01 0.000
NaX 4.680e-04 4.680e-04 9.751e-03 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.089e-02 2.089e-02
Cl 3.110e-03 3.110e-03
K 2.380e-02 2.380e-02
Na 2.021e-04 2.021e-04
----------------------------Description of solution----------------------------
pH = 7.043 Charge balance
pe = 14.257 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1813
Density (g/cm³) = 1.00186
Volume (L) = 1.00085
Viscosity (mPa s) = 1.77161
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.717e-08
Temperature (°C) = 0.26
Pressure (atm) = 1.00
Electrical balance (eq) = 8.717e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 7
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
H+ 1.022e-07 9.060e-08 -6.991 -7.043 -0.052 0.00
OH- 1.513e-08 1.304e-08 -7.820 -7.885 -0.065 -6.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.089e-02
Br- 2.089e-02 1.794e-02 -1.680 -1.746 -0.066 22.53
Cl 3.110e-03
Cl- 3.110e-03 2.684e-03 -2.507 -2.571 -0.064 16.57
HCl 9.542e-11 9.769e-11 -10.020 -10.010 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.635 -45.633 0.002 28.64
K 2.380e-02
K+ 2.380e-02 2.052e-02 -1.623 -1.688 -0.064 7.86
Na 2.021e-04
Na+ 2.021e-04 1.755e-04 -3.694 -3.756 -0.061 -3.30
O(0) 3.001e-10
O2 1.501e-10 1.509e-10 -9.824 -9.821 0.002 27.53
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.62 -45.63 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -7.88 -6.33 1.55 NaCl
O2(g) -7.16 -9.82 -2.66 O2
Sylvite -5.02 -4.26 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 5.
Using exchange 5. Exchange assemblage after simulation 2.
Mixture 5.
2.077e-01 Solution 4 Solution after simulation 2.
5.846e-01 Solution 5 Solution after simulation 2.
2.077e-01 Solution 6 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.794e-02 4.794e-02 9.988e-01 0.000
NaX 5.659e-05 5.659e-05 1.179e-03 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.278e-02 2.278e-02
Cl 1.216e-03 1.216e-03
K 2.398e-02 2.398e-02
Na 2.441e-05 2.441e-05
----------------------------Description of solution----------------------------
pH = 7.017 Charge balance
pe = 14.153 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00192
Volume (L) = 1.00088
Viscosity (mPa s) = 1.78531
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.465e-08
Temperature (°C) = 0.04
Pressure (atm) = 1.00
Electrical balance (eq) = 9.465e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
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
H+ 1.085e-07 9.622e-08 -6.964 -7.017 -0.052 0.00
OH- 1.393e-08 1.201e-08 -7.856 -7.921 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.278e-02
Br- 2.278e-02 1.957e-02 -1.642 -1.708 -0.066 22.49
Cl 1.216e-03
Cl- 1.216e-03 1.049e-03 -2.915 -2.979 -0.064 16.54
HCl 3.967e-11 4.061e-11 -10.402 -10.391 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.374 -45.371 0.002 28.65
K 2.398e-02
K+ 2.398e-02 2.068e-02 -1.620 -1.685 -0.064 7.84
Na 2.441e-05
Na+ 2.441e-05 2.120e-05 -4.613 -4.674 -0.061 -3.33
O(0) 7.373e-11
O2 3.687e-11 3.707e-11 -10.433 -10.431 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.36 -45.37 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -9.20 -7.65 1.55 NaCl
O2(g) -7.77 -10.43 -2.66 O2
Sylvite -5.43 -4.66 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 6.
Using exchange 6. Exchange assemblage after simulation 2.
Mixture 6.
2.077e-01 Solution 5 Solution after simulation 2.
5.846e-01 Solution 6 Solution after simulation 2.
2.077e-01 Solution 7 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.799e-02 4.799e-02 9.999e-01 0.000
NaX 5.158e-06 5.158e-06 1.074e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.360e-02 2.360e-02
Cl 3.957e-04 3.957e-04
K 2.400e-02 2.400e-02
Na 2.224e-06 2.224e-06
----------------------------Description of solution----------------------------
pH = 7.005 Charge balance
pe = 13.211 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00195
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78721
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.789e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.787e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
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
H+ 1.114e-07 9.876e-08 -6.953 -7.005 -0.052 0.00
OH- 1.353e-08 1.166e-08 -7.869 -7.933 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.360e-02
Br- 2.360e-02 2.027e-02 -1.627 -1.693 -0.066 22.49
Cl 3.957e-04
Cl- 3.957e-04 3.416e-04 -3.403 -3.466 -0.064 16.53
HCl 1.326e-11 1.357e-11 -10.878 -10.867 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.467 -43.464 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 2.224e-06
Na+ 2.224e-06 1.932e-06 -5.653 -5.714 -0.061 -3.34
O(0) 1.099e-14
O2 5.495e-15 5.525e-15 -14.260 -14.258 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.45 -43.46 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.73 -9.18 1.55 NaCl
O2(g) -11.60 -14.26 -2.66 O2
Sylvite -5.91 -5.15 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 7.
Using exchange 7. Exchange assemblage after simulation 2.
Mixture 7.
2.077e-01 Solution 6 Solution after simulation 2.
5.846e-01 Solution 7 Solution after simulation 2.
2.077e-01 Solution 8 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 0.000
NaX 3.567e-07 3.567e-07 7.432e-06 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.389e-02 2.389e-02
Cl 1.056e-04 1.056e-04
K 2.400e-02 2.400e-02
Na 1.538e-07 1.538e-07
----------------------------Description of solution----------------------------
pH = 7.001 Charge balance
pe = 13.764 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78739
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.903e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.900e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 8
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
H+ 1.124e-07 9.967e-08 -6.949 -7.001 -0.052 0.00
OH- 1.341e-08 1.155e-08 -7.873 -7.937 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.389e-02
Br- 2.389e-02 2.052e-02 -1.622 -1.688 -0.066 22.49
Cl 1.056e-04
Cl- 1.056e-04 9.118e-05 -3.976 -4.040 -0.064 16.53
HCl 3.571e-12 3.656e-12 -11.447 -11.437 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.566 -44.563 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.538e-07
Na+ 1.538e-07 1.336e-07 -6.813 -6.874 -0.061 -3.34
O(0) 1.729e-12
O2 8.646e-13 8.694e-13 -12.063 -12.061 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.55 -44.56 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -12.46 -10.91 1.55 NaCl
O2(g) -9.40 -12.06 -2.66 O2
Sylvite -6.49 -5.72 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 8.
Using exchange 8. Exchange assemblage after simulation 2.
Mixture 8.
2.077e-01 Solution 7 Solution after simulation 2.
5.846e-01 Solution 8 Solution after simulation 2.
2.077e-01 Solution 9 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 0.000
NaX 1.866e-08 1.866e-08 3.887e-07 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.398e-02 2.398e-02
Cl 2.266e-05 2.266e-05
K 2.400e-02 2.400e-02
Na 8.045e-09 8.045e-09
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.704 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.936e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.932e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 5
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
H+ 1.127e-07 9.993e-08 -6.948 -7.000 -0.052 0.00
OH- 1.337e-08 1.152e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.398e-02
Br- 2.398e-02 2.059e-02 -1.620 -1.686 -0.066 22.49
Cl 2.266e-05
Cl- 2.266e-05 1.956e-05 -4.645 -4.709 -0.064 16.53
HCl 7.682e-13 7.865e-13 -12.115 -12.104 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.444 -44.441 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 8.045e-09
Na+ 8.045e-09 6.989e-09 -8.094 -8.156 -0.061 -3.34
O(0) 9.863e-13
O2 4.932e-13 4.959e-13 -12.307 -12.305 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.43 -44.44 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -14.41 -12.86 1.55 NaCl
O2(g) -9.65 -12.30 -2.66 O2
Sylvite -7.16 -6.39 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 9.
Using exchange 9. Exchange assemblage after simulation 2.
Mixture 9.
2.077e-01 Solution 8 Solution after simulation 2.
5.846e-01 Solution 9 Solution after simulation 2.
2.077e-01 Solution 10 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 0.000
NaX 7.270e-10 7.270e-10 1.515e-08 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
Cl 3.808e-06 3.808e-06
K 2.400e-02 2.400e-02
Na 3.135e-10 3.135e-10
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.610 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.943e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.940e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 6
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
H+ 1.128e-07 9.999e-08 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
Cl 3.808e-06
Cl- 3.808e-06 3.287e-06 -5.419 -5.483 -0.064 16.53
HCl 1.291e-13 1.322e-13 -12.889 -12.879 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.255 -44.252 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 3.135e-10
Na+ 3.135e-10 2.723e-10 -9.504 -9.565 -0.061 -3.34
O(0) 4.131e-13
O2 2.065e-13 2.077e-13 -12.685 -12.683 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.24 -44.25 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -16.60 -15.05 1.55 NaCl
O2(g) -10.02 -12.68 -2.66 O2
Sylvite -7.93 -7.17 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 10.
Using exchange 10. Exchange assemblage after simulation 2.
Mixture 10.
2.077e-01 Solution 9 Solution after simulation 2.
7.923e-01 Solution 10 Solution after simulation 2.
0.000e+00 Solution 11 24 mM KBr, initial temp 0C
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 0.000
NaX 2.088e-11 2.088e-11 4.350e-10 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
Cl 5.237e-07 5.237e-07
K 2.400e-02 2.400e-02
Na 9.004e-12 9.004e-12
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.522 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.943e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 5
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
Cl 5.237e-07
Cl- 5.237e-07 4.521e-07 -6.281 -6.345 -0.064 16.53
HCl 1.777e-14 1.819e-14 -13.750 -13.740 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.078 -44.076 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 9.004e-12
Na+ 9.004e-12 7.822e-12 -11.046 -11.107 -0.061 -3.34
O(0) 1.831e-13
O2 9.154e-14 9.204e-14 -13.038 -13.036 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.06 -44.08 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -19.00 -17.45 1.55 NaCl
O2(g) -10.38 -13.04 -2.66 O2
Sylvite -8.79 -8.03 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 3.
------------------------------------
copy cell 31 1-30
END
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
TRANSPORT
shifts 1
multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
USER_GRAPH 1 Example 12b
WARNING: No porosities were read; used the value 1.00e+00 from -multi_D.
------------------------------------
Column data retained from former run
------------------------------------
-headings MultiD&Visc:Na Cl TC
-start
10 x = DIST
20 PLOT_XY x, TOT("Na")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Red
30 PLOT_XY x, TOT("Cl")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Green
40 PLOT_XY x, TC, symbol = Circle, line_width = 0, symbol_size = 5, y-axis 2, color = Blue
END
------------------------------------
Beginning of transport calculations.
------------------------------------
-------------------------------
Equilibrating initial solutions
-------------------------------
Using solution 0. Solution after simulation 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 1. 24 mM KBr, initial temp 0C
Using exchange 1.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 2. 24 mM KBr, initial temp 0C
Using exchange 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (26 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 3. 24 mM KBr, initial temp 0C
Using exchange 3.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (39 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 4. 24 mM KBr, initial temp 0C
Using exchange 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (52 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 5. 24 mM KBr, initial temp 0C
Using exchange 5.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (65 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 6. 24 mM KBr, initial temp 0C
Using exchange 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (78 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 7. 24 mM KBr, initial temp 0C
Using exchange 7.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (91 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 8. 24 mM KBr, initial temp 0C
Using exchange 8.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (104 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 9. 24 mM KBr, initial temp 0C
Using exchange 9.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (117 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 10. 24 mM KBr, initial temp 0C
Using exchange 10.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (130 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
WARNING:
Calculating transport: 10 (mobile) cells, 1 shifts, 373 mixruns...
Transport step 1. Multicomponent diffusion run 373.
Using solution 0. Solution after simulation 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 1.
Using exchange 1. Exchange assemblage after simulation 4.
Mixture 1.
0.000e+00 Solution 0 Solution after simulation 4.
1.000e+00 Solution 1 Solution after simulation 4.
0.000e+00 Solution 2 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 4.315e-02 4.315e-02 8.990e-01 -0.063
KX 4.847e-03 4.847e-03 1.010e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.468e-03 1.468e-03
Cl 2.205e-02 2.205e-02
K 2.719e-03 2.719e-03
Na 2.080e-02 2.080e-02
----------------------------Description of solution----------------------------
pH = 7.015 Charge balance
pe = 12.225 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 22°C) = 2564
Density (g/cm³) = 0.99893
Volume (L) = 1.00256
Viscosity (mPa s) = 0.96748
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.352e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.672e-08
Temperature (°C) = 21.53
Electrical balance (eq) = 1.018e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 1.092e-07 9.656e-08 -6.962 -7.015 -0.054 0.00
OH- 9.314e-08 7.998e-08 -7.031 -7.097 -0.066 -4.12
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05
Br 1.468e-03
Br- 1.468e-03 1.257e-03 -2.833 -2.901 -0.068 24.50
Cl 2.205e-02
Cl- 2.205e-02 1.897e-02 -1.657 -1.722 -0.065 18.07
HCl 6.302e-10 6.449e-10 -9.201 -9.191 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.617 -41.615 0.002 28.61
K 2.719e-03
K+ 2.719e-03 2.337e-03 -2.566 -2.631 -0.066 8.99
Na 2.080e-02
Na+ 2.080e-02 1.801e-02 -1.682 -1.744 -0.063 -1.50
O(0) 1.031e-10
O2 5.156e-11 5.184e-11 -10.288 -10.285 0.002 30.12
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(294 K, 1 atm)
H2(g) -38.52 -41.61 -3.09 H2
H2O(g) -1.59 -0.00 1.59 H2O
Halite -5.03 -3.47 1.57 NaCl
O2(g) -7.42 -10.29 -2.87 O2
Sylvite -5.24 -4.35 0.88 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 2.
Using exchange 2. Exchange assemblage after simulation 4.
Mixture 2.
0.000e+00 Solution 1 Solution after simulation 4.
1.000e+00 Solution 2 Solution after simulation 4.
0.000e+00 Solution 3 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 3.173e-02 3.173e-02 6.611e-01 -0.061
KX 1.627e-02 1.627e-02 3.389e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.424e-03 4.424e-03
Cl 1.815e-02 1.815e-02
K 8.416e-03 8.416e-03
Na 1.416e-02 1.416e-02
----------------------------Description of solution----------------------------
pH = 7.043 Charge balance
pe = 12.789 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 16°C) = 2304
Density (g/cm³) = 1.00010
Volume (L) = 1.00155
Viscosity (mPa s) = 1.10687
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.258e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.923e-08
Temperature (°C) = 16.09
Electrical balance (eq) = 1.002e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 1.023e-07 9.067e-08 -6.990 -7.043 -0.052 0.00
OH- 6.356e-08 5.480e-08 -7.197 -7.261 -0.064 -4.43
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 4.424e-03
Br- 4.424e-03 3.802e-03 -2.354 -2.420 -0.066 24.16
Cl 1.815e-02
Cl- 1.815e-02 1.568e-02 -1.741 -1.805 -0.064 17.84
HCl 5.062e-10 5.175e-10 -9.296 -9.286 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.776 -42.774 0.002 28.62
K 8.416e-03
K+ 8.416e-03 7.261e-03 -2.075 -2.139 -0.064 8.78
Na 1.416e-02
Na+ 1.416e-02 1.231e-02 -1.849 -1.910 -0.061 -1.84
O(0) 3.178e-10
O2 1.589e-10 1.597e-10 -9.799 -9.797 0.002 29.62
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(289 K, 1 atm)
H2(g) -39.70 -42.77 -3.08 H2
H2O(g) -1.74 -0.00 1.74 H2O
Halite -5.28 -3.71 1.56 NaCl
O2(g) -6.97 -9.80 -2.82 O2
Sylvite -4.80 -3.94 0.85 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 3.
Using exchange 3. Exchange assemblage after simulation 4.
Mixture 3.
0.000e+00 Solution 2 Solution after simulation 4.
1.000e+00 Solution 3 Solution after simulation 4.
0.000e+00 Solution 4 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 2.914e-02 2.914e-02 6.071e-01 0.000
NaX 1.886e-02 1.886e-02 3.929e-01 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 7.490e-03 7.490e-03
Cl 1.435e-02 1.435e-02
K 1.400e-02 1.400e-02
Na 7.840e-03 7.840e-03
----------------------------Description of solution----------------------------
pH = 7.059 Charge balance
pe = 13.313 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 11°C) = 2066
Density (g/cm³) = 1.00094
Volume (L) = 1.00090
Viscosity (mPa s) = 1.27974
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.184e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.732e-08
Temperature (°C) = 10.72
Electrical balance (eq) = 9.993e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.835e-08 8.738e-08 -7.007 -7.059 -0.051 0.00
OH- 4.144e-08 3.584e-08 -7.383 -7.446 -0.063 -4.83
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 7.490e-03
Br- 7.490e-03 6.458e-03 -2.126 -2.190 -0.064 23.73
Cl 1.435e-02
Cl- 1.435e-02 1.243e-02 -1.843 -1.906 -0.062 17.52
HCl 4.002e-10 4.088e-10 -9.398 -9.388 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.831 -43.829 0.002 28.62
K 1.400e-02
K+ 1.400e-02 1.212e-02 -1.854 -1.917 -0.063 8.52
Na 7.840e-03
Na+ 7.840e-03 6.832e-03 -2.106 -2.165 -0.060 -2.25
O(0) 5.419e-10
O2 2.710e-10 2.723e-10 -9.567 -9.565 0.002 29.03
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(283 K, 1 atm)
H2(g) -40.77 -43.83 -3.06 H2
H2O(g) -1.89 -0.00 1.89 H2O
Halite -5.63 -4.07 1.56 NaCl
O2(g) -6.79 -9.56 -2.77 O2
Sylvite -4.65 -3.82 0.83 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 4.
Using exchange 4. Exchange assemblage after simulation 4.
Mixture 4.
0.000e+00 Solution 3 Solution after simulation 4.
1.000e+00 Solution 4 Solution after simulation 4.
0.000e+00 Solution 5 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.971e-02 3.971e-02 8.274e-01 0.000
NaX 8.286e-03 8.286e-03 1.726e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.068e-02 1.068e-02
Cl 1.093e-02 1.093e-02
K 1.829e-02 1.829e-02
Na 3.309e-03 3.309e-03
----------------------------Description of solution----------------------------
pH = 7.065 Charge balance
pe = 13.763 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 6°C) = 1889
Density (g/cm³) = 1.00139
Volume (L) = 1.00064
Viscosity (mPa s) = 1.46185
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.160e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.914e-08
Temperature (°C) = 6.19
Electrical balance (eq) = 9.964e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.674e-08 8.605e-08 -7.014 -7.065 -0.051 0.00
OH- 2.791e-08 2.418e-08 -7.554 -7.617 -0.062 -5.27
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.068e-02
Br- 1.068e-02 9.222e-03 -1.972 -2.035 -0.064 23.28
Cl 1.093e-02
Cl- 1.093e-02 9.481e-03 -1.962 -2.023 -0.062 17.16
HCl 3.092e-10 3.159e-10 -9.510 -9.501 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.722 -44.720 0.002 28.63
K 1.829e-02
K+ 1.829e-02 1.586e-02 -1.738 -1.800 -0.062 8.26
Na 3.309e-03
Na+ 3.309e-03 2.888e-03 -2.480 -2.539 -0.059 -2.66
O(0) 7.563e-10
O2 3.781e-10 3.800e-10 -9.422 -9.420 0.002 28.46
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(279 K, 1 atm)
H2(g) -41.68 -44.72 -3.04 H2
H2O(g) -2.02 -0.00 2.02 H2O
Halite -6.12 -4.56 1.55 NaCl
O2(g) -6.69 -9.42 -2.73 O2
Sylvite -4.62 -3.82 0.80 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 5.
Using exchange 5. Exchange assemblage after simulation 4.
Mixture 5.
0.000e+00 Solution 4 Solution after simulation 4.
1.000e+00 Solution 5 Solution after simulation 4.
0.000e+00 Solution 6 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.530e-02 4.530e-02 9.438e-01 0.000
NaX 2.700e-03 2.700e-03 5.625e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.388e-02 1.388e-02
Cl 8.013e-03 8.013e-03
K 2.082e-02 2.082e-02
Na 1.075e-03 1.075e-03
----------------------------Description of solution----------------------------
pH = 7.068 Charge balance
pe = 14.080 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 3°C) = 1788
Density (g/cm³) = 1.00158
Volume (L) = 1.00065
Viscosity (mPa s) = 1.61216
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.189e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.547e-08
Temperature (°C) = 3.09
Electrical balance (eq) = 9.935e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.621e-08 8.557e-08 -7.017 -7.068 -0.051 0.00
OH- 2.097e-08 1.816e-08 -7.678 -7.741 -0.062 -5.63
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.388e-02
Br- 1.388e-02 1.198e-02 -1.858 -1.921 -0.064 22.91
Cl 8.013e-03
Cl- 8.013e-03 6.951e-03 -2.096 -2.158 -0.062 16.87
HCl 2.298e-10 2.348e-10 -9.639 -9.629 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.345 -45.343 0.002 28.64
K 2.082e-02
K+ 2.082e-02 1.804e-02 -1.682 -1.744 -0.062 8.06
Na 1.075e-03
Na+ 1.075e-03 9.384e-04 -2.968 -3.028 -0.059 -2.98
O(0) 9.363e-10
O2 4.682e-10 4.705e-10 -9.330 -9.327 0.002 28.00
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(276 K, 1 atm)
H2(g) -42.32 -45.34 -3.03 H2
H2O(g) -2.12 -0.00 2.11 H2O
Halite -6.74 -5.19 1.55 NaCl
O2(g) -6.63 -9.33 -2.69 O2
Sylvite -4.68 -3.90 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 6.
Using exchange 6. Exchange assemblage after simulation 4.
Mixture 6.
0.000e+00 Solution 5 Solution after simulation 4.
1.000e+00 Solution 6 Solution after simulation 4.
0.000e+00 Solution 7 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.730e-02 4.730e-02 9.854e-01 0.000
NaX 7.029e-04 7.029e-04 1.464e-02 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.678e-02 1.678e-02
Cl 5.626e-03 5.626e-03
K 2.212e-02 2.212e-02
Na 2.847e-04 2.847e-04
----------------------------Description of solution----------------------------
pH = 7.068 Charge balance
pe = 14.262 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1751
Density (g/cm³) = 1.00168
Volume (L) = 1.00073
Viscosity (mPa s) = 1.70747
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.241e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.855e-08
Temperature (°C) = 1.35
Electrical balance (eq) = 9.910e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.617e-08 8.547e-08 -7.017 -7.068 -0.051 0.00
OH- 1.777e-08 1.538e-08 -7.750 -7.813 -0.063 -5.86
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.678e-02
Br- 1.678e-02 1.447e-02 -1.775 -1.839 -0.064 22.68
Cl 5.626e-03
Cl- 5.626e-03 4.876e-03 -2.250 -2.312 -0.062 16.69
HCl 1.626e-10 1.663e-10 -9.789 -9.779 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.702 -45.700 0.002 28.64
K 2.212e-02
K+ 2.212e-02 1.916e-02 -1.655 -1.718 -0.063 7.94
Na 2.847e-04
Na+ 2.847e-04 2.482e-04 -3.546 -3.605 -0.060 -3.18
O(0) 1.066e-09
O2 5.330e-10 5.358e-10 -9.273 -9.271 0.002 27.72
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -42.68 -45.70 -3.02 H2
H2O(g) -2.17 -0.00 2.17 H2O
Halite -7.47 -5.92 1.55 NaCl
O2(g) -6.60 -9.27 -2.67 O2
Sylvite -4.80 -4.03 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 7.
Using exchange 7. Exchange assemblage after simulation 4.
Mixture 7.
0.000e+00 Solution 6 Solution after simulation 4.
1.000e+00 Solution 7 Solution after simulation 4.
0.000e+00 Solution 8 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.784e-02 4.784e-02 9.967e-01 0.000
NaX 1.567e-04 1.567e-04 3.264e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.911e-02 1.911e-02
Cl 3.791e-03 3.791e-03
K 2.284e-02 2.284e-02
Na 6.468e-05 6.468e-05
----------------------------Description of solution----------------------------
pH = 7.067 Charge balance
pe = 14.352 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1748
Density (g/cm³) = 1.00175
Volume (L) = 1.00080
Viscosity (mPa s) = 1.75568
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.290e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.018e-08
Temperature (°C) = 0.53
Electrical balance (eq) = 9.886e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.645e-08 8.566e-08 -7.016 -7.067 -0.052 0.00
OH- 1.638e-08 1.416e-08 -7.786 -7.849 -0.063 -5.98
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.911e-02
Br- 1.911e-02 1.646e-02 -1.719 -1.783 -0.065 22.56
Cl 3.791e-03
Cl- 3.791e-03 3.282e-03 -2.421 -2.484 -0.063 16.59
HCl 1.102e-10 1.127e-10 -9.958 -9.948 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.875 -45.873 0.002 28.64
K 2.284e-02
K+ 2.284e-02 1.975e-02 -1.641 -1.704 -0.063 7.88
Na 6.468e-05
Na+ 6.468e-05 5.633e-05 -4.189 -4.249 -0.060 -3.28
O(0) 1.146e-09
O2 5.732e-10 5.763e-10 -9.242 -9.239 0.002 27.58
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.86 -45.87 -3.01 H2
H2O(g) -2.19 -0.00 2.19 H2O
Halite -8.28 -6.73 1.55 NaCl
O2(g) -6.57 -9.24 -2.66 O2
Sylvite -4.96 -4.19 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 8.
Using exchange 8. Exchange assemblage after simulation 4.
Mixture 8.
0.000e+00 Solution 7 Solution after simulation 4.
1.000e+00 Solution 8 Solution after simulation 4.
0.000e+00 Solution 9 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.797e-02 4.797e-02 9.994e-01 0.000
NaX 3.110e-05 3.110e-05 6.480e-04 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.078e-02 2.078e-02
Cl 2.497e-03 2.497e-03
K 2.327e-02 2.327e-02
Na 1.303e-05 1.303e-05
----------------------------Description of solution----------------------------
pH = 7.066 Charge balance
pe = 14.391 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1759
Density (g/cm³) = 1.00182
Volume (L) = 1.00084
Viscosity (mPa s) = 1.77619
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.328e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.111e-08
Temperature (°C) = 0.19
Electrical balance (eq) = 9.860e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 9.684e-08 8.595e-08 -7.014 -7.066 -0.052 0.00
OH- 1.581e-08 1.365e-08 -7.801 -7.865 -0.064 -6.03
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.078e-02
Br- 2.078e-02 1.788e-02 -1.682 -1.748 -0.065 22.51
Cl 2.497e-03
Cl- 2.497e-03 2.159e-03 -2.603 -2.666 -0.063 16.55
HCl 7.290e-11 7.459e-11 -10.137 -10.127 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.948 -45.946 0.002 28.65
K 2.327e-02
K+ 2.327e-02 2.010e-02 -1.633 -1.697 -0.063 7.85
Na 1.303e-05
Na+ 1.303e-05 1.134e-05 -4.885 -4.945 -0.060 -3.32
O(0) 1.190e-09
O2 5.952e-10 5.984e-10 -9.225 -9.223 0.002 27.52
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.93 -45.95 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -9.16 -7.61 1.55 NaCl
O2(g) -6.56 -9.22 -2.66 O2
Sylvite -5.13 -4.36 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 9.
Using exchange 9. Exchange assemblage after simulation 4.
Mixture 9.
0.000e+00 Solution 8 Solution after simulation 4.
1.000e+00 Solution 9 Solution after simulation 4.
0.000e+00 Solution 10 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.799e-02 4.799e-02 9.999e-01 -0.000
NaX 5.623e-06 5.623e-06 1.172e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.183e-02 2.183e-02
Cl 1.689e-03 1.689e-03
K 2.351e-02 2.351e-02
Na 2.379e-06 2.379e-06
----------------------------Description of solution----------------------------
pH = 7.064 Charge balance
pe = 14.406 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1771
Density (g/cm³) = 1.00186
Volume (L) = 1.00086
Viscosity (mPa s) = 1.78379
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.352e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.165e-08
Temperature (°C) = 0.06
Electrical balance (eq) = 9.833e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.717e-08 8.621e-08 -7.012 -7.064 -0.052 0.00
OH- 1.557e-08 1.344e-08 -7.808 -7.872 -0.064 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.183e-02
Br- 2.183e-02 1.877e-02 -1.661 -1.726 -0.065 22.50
Cl 1.689e-03
Cl- 1.689e-03 1.459e-03 -2.772 -2.836 -0.063 16.54
HCl 4.945e-11 5.060e-11 -10.306 -10.296 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.976 -45.974 0.002 28.65
K 2.351e-02
K+ 2.351e-02 2.030e-02 -1.629 -1.692 -0.064 7.84
Na 2.379e-06
Na+ 2.379e-06 2.069e-06 -5.624 -5.684 -0.061 -3.33
O(0) 1.212e-09
O2 6.059e-10 6.092e-10 -9.218 -9.215 0.002 27.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.96 -45.97 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.07 -8.52 1.55 NaCl
O2(g) -6.56 -9.22 -2.66 O2
Sylvite -5.29 -4.53 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 10.
Using exchange 10. Exchange assemblage after simulation 4.
Mixture 10.
0.000e+00 Solution 9 Solution after simulation 4.
1.000e+00 Solution 10 Solution after simulation 4.
0.000e+00 Solution 11 24 mM KBr, initial temp 0C
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 0.000
NaX 1.066e-06 1.066e-06 2.220e-05 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.233e-02 2.233e-02
Cl 1.304e-03 1.304e-03
K 2.363e-02 2.363e-02
Na 4.529e-07 4.529e-07
----------------------------Description of solution----------------------------
pH = 7.064 Charge balance
pe = 14.412 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1777
Density (g/cm³) = 1.00189
Volume (L) = 1.00087
Viscosity (mPa s) = 1.78613
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.363e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.190e-08
Temperature (°C) = 0.02
Electrical balance (eq) = 9.887e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.735e-08 8.636e-08 -7.012 -7.064 -0.052 0.00
OH- 1.549e-08 1.336e-08 -7.810 -7.874 -0.064 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.233e-02
Br- 2.233e-02 1.919e-02 -1.651 -1.717 -0.066 22.49
Cl 1.304e-03
Cl- 1.304e-03 1.127e-03 -2.885 -2.948 -0.063 16.54
HCl 3.824e-11 3.913e-11 -10.418 -10.407 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.985 -45.983 0.002 28.65
K 2.363e-02
K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84
Na 4.529e-07
Na+ 4.529e-07 3.938e-07 -6.344 -6.405 -0.061 -3.34
O(0) 1.221e-09
O2 6.103e-10 6.136e-10 -9.214 -9.212 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.97 -45.98 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.90 -9.35 1.55 NaCl
O2(g) -6.55 -9.21 -2.66 O2
Sylvite -5.40 -4.64 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
copy cell 31 1-30
USER_GRAPH 1
-connect_simulations false
END
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
TRANSPORT
shifts 1
multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
implicit true 3 -12 # max_mixf = 3, min_dif_LM = -12
USER_GRAPH 1 Example 12b
WARNING: No porosities were read; used the value 1.00e+00 from -multi_D.
------------------------------------
Column data retained from former run
------------------------------------
-headings MultiD&Visc&Implicit:Na Cl TC
-start
10 x = DIST
20 PLOT_XY x, TOT("Na")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Red
30 PLOT_XY x, TOT("Cl")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Green
40 PLOT_XY x, TC, symbol = XCross, line_width = 0, symbol_size = 9, y-axis 2, color = Blue
END
------------------------------------
Beginning of transport calculations.
------------------------------------
-------------------------------
Equilibrating initial solutions
-------------------------------
Using solution 0. Solution after simulation 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 1. 24 mM KBr, initial temp 0C
Using exchange 1.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 2. 24 mM KBr, initial temp 0C
Using exchange 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (26 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 3. 24 mM KBr, initial temp 0C
Using exchange 3.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (39 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 4. 24 mM KBr, initial temp 0C
Using exchange 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (52 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 5. 24 mM KBr, initial temp 0C
Using exchange 5.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (65 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 6. 24 mM KBr, initial temp 0C
Using exchange 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (78 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 7. 24 mM KBr, initial temp 0C
Using exchange 7.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (91 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 8. 24 mM KBr, initial temp 0C
Using exchange 8.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (104 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 9. 24 mM KBr, initial temp 0C
Using exchange 9.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (117 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using solution 10. 24 mM KBr, initial temp 0C
Using exchange 10.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
K 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 12.957 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78740
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.945e-08
Temperature (°C) = 0.00
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 (130 overall)
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
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.400e-02
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
O(0) 1.011e-15
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -39.94 -42.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
O2(g) -12.64 -15.29 -2.66 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
WARNING:
Calculating implicit transport: 10 (mobile) cells, 1 shifts, 56 mixruns, max. mixf = 3.
Transport step 1. Multicomponent diffusion run 56.
Using solution 0. Solution after simulation 6.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Cl 2.400e-02 2.400e-02
Na 2.400e-02 2.400e-02
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 24°C) = 2687
Density (g/cm³) = 0.99829
Volume (L) = 1.00312
Viscosity (mPa s) = 0.91317
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.679e-09
Temperature (°C) = 24.00
Electrical balance (eq) = 4.679e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Cl 2.400e-02
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
H(0) 1.422e-25
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
Na 2.400e-02
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(297 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.53 -0.00 1.53 H2O
Halite -4.94 -3.37 1.57 NaCl
O2(g) -39.53 -42.41 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 1.
Using exchange 1. Exchange assemblage after simulation 6.
Mixture 1.
0.000e+00 Solution 0 Solution after simulation 6.
1.000e+00 Solution 1 Solution after simulation 6.
0.000e+00 Solution 2 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 4.288e-02 4.288e-02 8.933e-01 -0.063
KX 5.119e-03 5.119e-03 1.067e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.496e-03 1.496e-03
Cl 2.204e-02 2.204e-02
K 2.870e-03 2.870e-03
Na 2.066e-02 2.066e-02
----------------------------Description of solution----------------------------
pH = 7.016 Charge balance
pe = 12.155 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 21°C) = 2563
Density (g/cm³) = 0.99896
Volume (L) = 1.00254
Viscosity (mPa s) = 0.96986
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.353e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.698e-08
Temperature (°C) = 21.42
Electrical balance (eq) = 9.963e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 1.090e-07 9.632e-08 -6.963 -7.016 -0.054 0.00
OH- 9.261e-08 7.953e-08 -7.033 -7.099 -0.066 -4.12
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05
Br 1.496e-03
Br- 1.496e-03 1.280e-03 -2.825 -2.893 -0.068 24.49
Cl 2.204e-02
Cl- 2.204e-02 1.896e-02 -1.657 -1.722 -0.065 18.07
HCl 6.286e-10 6.432e-10 -9.202 -9.192 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.479 -41.476 0.002 28.61
K 2.870e-03
K+ 2.870e-03 2.467e-03 -2.542 -2.608 -0.066 8.99
Na 2.066e-02
Na+ 2.066e-02 1.789e-02 -1.685 -1.747 -0.063 -1.50
O(0) 5.031e-11
O2 2.515e-11 2.529e-11 -10.599 -10.597 0.002 30.11
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(294 K, 1 atm)
H2(g) -38.38 -41.48 -3.09 H2
H2O(g) -1.60 -0.00 1.60 H2O
Halite -5.04 -3.47 1.57 NaCl
O2(g) -7.73 -10.60 -2.87 O2
Sylvite -5.21 -4.33 0.88 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 2.
Using exchange 2. Exchange assemblage after simulation 6.
Mixture 2.
0.000e+00 Solution 1 Solution after simulation 6.
1.000e+00 Solution 2 Solution after simulation 6.
0.000e+00 Solution 3 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 3.084e-02 3.084e-02 6.425e-01 -0.061
KX 1.716e-02 1.716e-02 3.575e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.518e-03 4.518e-03
Cl 1.812e-02 1.812e-02
K 8.876e-03 8.876e-03
Na 1.376e-02 1.376e-02
----------------------------Description of solution----------------------------
pH = 7.039 Charge balance
pe = 12.713 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 16°C) = 2321
Density (g/cm³) = 1.00010
Volume (L) = 1.00157
Viscosity (mPa s) = 1.10528
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.264e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.020e-08
Temperature (°C) = 16.15
Electrical balance (eq) = 1.004e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
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
H+ 1.031e-07 9.135e-08 -6.987 -7.039 -0.052 0.00
OH- 6.338e-08 5.463e-08 -7.198 -7.263 -0.065 -4.42
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 4.518e-03
Br- 4.518e-03 3.882e-03 -2.345 -2.411 -0.066 24.17
Cl 1.812e-02
Cl- 1.812e-02 1.565e-02 -1.742 -1.806 -0.064 17.84
HCl 5.088e-10 5.202e-10 -9.293 -9.284 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.617 -42.614 0.002 28.62
K 8.876e-03
K+ 8.876e-03 7.657e-03 -2.052 -2.116 -0.064 8.78
Na 1.376e-02
Na+ 1.376e-02 1.196e-02 -1.861 -1.922 -0.061 -1.84
O(0) 1.592e-10
O2 7.962e-11 8.003e-11 -10.099 -10.097 0.002 29.62
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(289 K, 1 atm)
H2(g) -39.54 -42.61 -3.08 H2
H2O(g) -1.74 -0.00 1.74 H2O
Halite -5.29 -3.73 1.56 NaCl
O2(g) -7.27 -10.10 -2.82 O2
Sylvite -4.78 -3.92 0.85 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 3.
Using exchange 3. Exchange assemblage after simulation 6.
Mixture 3.
0.000e+00 Solution 2 Solution after simulation 6.
1.000e+00 Solution 3 Solution after simulation 6.
0.000e+00 Solution 4 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.025e-02 3.025e-02 6.301e-01 0.000
NaX 1.775e-02 1.775e-02 3.699e-01 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 7.621e-03 7.621e-03
Cl 1.437e-02 1.437e-02
K 1.458e-02 1.458e-02
Na 7.407e-03 7.407e-03
----------------------------Description of solution----------------------------
pH = 7.052 Charge balance
pe = 13.230 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 11°C) = 2101
Density (g/cm³) = 1.00093
Volume (L) = 1.00093
Viscosity (mPa s) = 1.27129
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.199e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.872e-08
Temperature (°C) = 10.95
Electrical balance (eq) = 9.946e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.996e-08 8.878e-08 -7.000 -7.052 -0.052 0.00
OH- 4.165e-08 3.600e-08 -7.380 -7.444 -0.063 -4.81
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 7.621e-03
Br- 7.621e-03 6.568e-03 -2.118 -2.183 -0.065 23.75
Cl 1.437e-02
Cl- 1.437e-02 1.244e-02 -1.843 -1.905 -0.063 17.53
HCl 4.064e-10 4.153e-10 -9.391 -9.382 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.652 -43.650 0.002 28.62
K 1.458e-02
K+ 1.458e-02 1.262e-02 -1.836 -1.899 -0.063 8.53
Na 7.407e-03
Na+ 7.407e-03 6.452e-03 -2.130 -2.190 -0.060 -2.23
O(0) 2.879e-10
O2 1.440e-10 1.447e-10 -9.842 -9.840 0.002 29.06
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(284 K, 1 atm)
H2(g) -40.59 -43.65 -3.06 H2
H2O(g) -1.88 -0.00 1.88 H2O
Halite -5.65 -4.10 1.56 NaCl
O2(g) -7.06 -9.84 -2.77 O2
Sylvite -4.63 -3.80 0.83 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 4.
Using exchange 4. Exchange assemblage after simulation 6.
Mixture 4.
0.000e+00 Solution 3 Solution after simulation 6.
1.000e+00 Solution 4 Solution after simulation 6.
0.000e+00 Solution 5 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.013e-02 4.013e-02 8.359e-01 0.000
NaX 7.874e-03 7.874e-03 1.641e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.083e-02 1.083e-02
Cl 1.100e-02 1.100e-02
K 1.866e-02 1.866e-02
Na 3.173e-03 3.173e-03
----------------------------Description of solution----------------------------
pH = 7.058 Charge balance
pe = 13.682 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 7°C) = 1928
Density (g/cm³) = 1.00139
Volume (L) = 1.00067
Viscosity (mPa s) = 1.44790
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.184e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.033e-08
Temperature (°C) = 6.50
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.832e-08 8.741e-08 -7.007 -7.058 -0.051 0.00
OH- 2.830e-08 2.450e-08 -7.548 -7.611 -0.063 -5.24
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.083e-02
Br- 1.083e-02 9.349e-03 -1.965 -2.029 -0.064 23.32
Cl 1.100e-02
Cl- 1.100e-02 9.542e-03 -1.958 -2.020 -0.062 17.19
HCl 3.155e-10 3.223e-10 -9.501 -9.492 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.548 -44.546 0.002 28.63
K 1.866e-02
K+ 1.866e-02 1.617e-02 -1.729 -1.791 -0.062 8.28
Na 3.173e-03
Na+ 3.173e-03 2.767e-03 -2.499 -2.558 -0.059 -2.63
O(0) 4.412e-10
O2 2.206e-10 2.217e-10 -9.656 -9.654 0.002 28.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(279 K, 1 atm)
H2(g) -41.50 -44.55 -3.04 H2
H2O(g) -2.01 -0.00 2.01 H2O
Halite -6.13 -4.58 1.55 NaCl
O2(g) -6.92 -9.65 -2.73 O2
Sylvite -4.61 -3.81 0.80 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 5.
Using exchange 5. Exchange assemblage after simulation 6.
Mixture 5.
0.000e+00 Solution 4 Solution after simulation 6.
1.000e+00 Solution 5 Solution after simulation 6.
0.000e+00 Solution 6 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.519e-02 4.519e-02 9.414e-01 0.000
NaX 2.810e-03 2.810e-03 5.855e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.401e-02 1.401e-02
Cl 8.098e-03 8.098e-03
K 2.098e-02 2.098e-02
Na 1.130e-03 1.130e-03
----------------------------Description of solution----------------------------
pH = 7.063 Charge balance
pe = 14.015 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 3°C) = 1819
Density (g/cm³) = 1.00160
Volume (L) = 1.00066
Viscosity (mPa s) = 1.59878
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.211e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.635e-08
Temperature (°C) = 3.34
Electrical balance (eq) = 9.944e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.737e-08 8.656e-08 -7.012 -7.063 -0.051 0.00
OH- 2.126e-08 1.840e-08 -7.673 -7.735 -0.063 -5.60
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.401e-02
Br- 1.401e-02 1.209e-02 -1.853 -1.917 -0.064 22.94
Cl 8.098e-03
Cl- 8.098e-03 7.020e-03 -2.092 -2.154 -0.062 16.90
HCl 2.343e-10 2.395e-10 -9.630 -9.621 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.207 -45.205 0.002 28.64
K 2.098e-02
K+ 2.098e-02 1.817e-02 -1.678 -1.741 -0.062 8.08
Na 1.130e-03
Na+ 1.130e-03 9.857e-04 -2.947 -3.006 -0.059 -2.95
O(0) 6.194e-10
O2 3.097e-10 3.113e-10 -9.509 -9.507 0.002 28.04
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(276 K, 1 atm)
H2(g) -42.18 -45.21 -3.03 H2
H2O(g) -2.11 -0.00 2.11 H2O
Halite -6.71 -5.16 1.55 NaCl
O2(g) -6.81 -9.51 -2.70 O2
Sylvite -4.68 -3.89 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 6.
Using exchange 6. Exchange assemblage after simulation 6.
Mixture 6.
0.000e+00 Solution 5 Solution after simulation 6.
1.000e+00 Solution 6 Solution after simulation 6.
0.000e+00 Solution 7 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.713e-02 4.713e-02 9.819e-01 0.000
NaX 8.677e-04 8.677e-04 1.808e-02 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.686e-02 1.686e-02
Cl 5.701e-03 5.701e-03
K 2.221e-02 2.221e-02
Na 3.538e-04 3.538e-04
----------------------------Description of solution----------------------------
pH = 7.064 Charge balance
pe = 14.222 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 2°C) = 1769
Density (g/cm³) = 1.00169
Volume (L) = 1.00073
Viscosity (mPa s) = 1.69862
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.256e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.938e-08
Temperature (°C) = 1.50
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.709e-08 8.627e-08 -7.013 -7.064 -0.051 0.00
OH- 1.788e-08 1.546e-08 -7.748 -7.811 -0.063 -5.84
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.686e-02
Br- 1.686e-02 1.454e-02 -1.773 -1.838 -0.064 22.70
Cl 5.701e-03
Cl- 5.701e-03 4.938e-03 -2.244 -2.306 -0.062 16.70
HCl 1.661e-10 1.698e-10 -9.780 -9.770 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.615 -45.612 0.002 28.64
K 2.221e-02
K+ 2.221e-02 1.922e-02 -1.653 -1.716 -0.063 7.95
Na 3.538e-04
Na+ 3.538e-04 3.083e-04 -3.451 -3.511 -0.060 -3.16
O(0) 8.151e-10
O2 4.076e-10 4.097e-10 -9.390 -9.388 0.002 27.75
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -42.59 -45.61 -3.02 H2
H2O(g) -2.16 -0.00 2.16 H2O
Halite -7.37 -5.82 1.55 NaCl
O2(g) -6.71 -9.39 -2.68 O2
Sylvite -4.80 -4.02 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 7.
Using exchange 7. Exchange assemblage after simulation 6.
Mixture 7.
0.000e+00 Solution 6 Solution after simulation 6.
1.000e+00 Solution 7 Solution after simulation 6.
0.000e+00 Solution 8 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.776e-02 4.776e-02 9.949e-01 0.000
NaX 2.446e-04 2.446e-04 5.096e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.913e-02 1.913e-02
Cl 3.862e-03 3.862e-03
K 2.289e-02 2.289e-02
Na 1.014e-04 1.014e-04
----------------------------Description of solution----------------------------
pH = 7.064 Charge balance
pe = 14.334 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1759
Density (g/cm³) = 1.00176
Volume (L) = 1.00080
Viscosity (mPa s) = 1.75105
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.299e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.102e-08
Temperature (°C) = 0.60
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.728e-08 8.638e-08 -7.012 -7.064 -0.052 0.00
OH- 1.637e-08 1.415e-08 -7.786 -7.849 -0.064 -5.97
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.913e-02
Br- 1.913e-02 1.648e-02 -1.718 -1.783 -0.065 22.57
Cl 3.862e-03
Cl- 3.862e-03 3.342e-03 -2.413 -2.476 -0.063 16.60
HCl 1.131e-10 1.157e-10 -9.946 -9.937 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.834 -45.831 0.002 28.64
K 2.289e-02
K+ 2.289e-02 1.979e-02 -1.640 -1.704 -0.063 7.88
Na 1.014e-04
Na+ 1.014e-04 8.826e-05 -3.994 -4.054 -0.060 -3.27
O(0) 1.013e-09
O2 5.067e-10 5.094e-10 -9.295 -9.293 0.002 27.59
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.82 -45.83 -3.01 H2
H2O(g) -2.19 -0.00 2.19 H2O
Halite -8.08 -6.53 1.55 NaCl
O2(g) -6.63 -9.29 -2.67 O2
Sylvite -4.95 -4.18 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 8.
Using exchange 8. Exchange assemblage after simulation 6.
Mixture 8.
0.000e+00 Solution 7 Solution after simulation 6.
1.000e+00 Solution 8 Solution after simulation 6.
0.000e+00 Solution 9 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.794e-02 4.794e-02 9.986e-01 0.000
NaX 6.490e-05 6.490e-05 1.352e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.075e-02 2.075e-02
Cl 2.570e-03 2.570e-03
K 2.329e-02 2.329e-02
Na 2.724e-05 2.724e-05
----------------------------Description of solution----------------------------
pH = 7.062 Charge balance
pe = 14.391 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1764
Density (g/cm³) = 1.00182
Volume (L) = 1.00084
Viscosity (mPa s) = 1.77408
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.332e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.198e-08
Temperature (°C) = 0.22
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.764e-08 8.665e-08 -7.010 -7.062 -0.052 0.00
OH- 1.573e-08 1.358e-08 -7.803 -7.867 -0.064 -6.02
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.075e-02
Br- 2.075e-02 1.786e-02 -1.683 -1.748 -0.065 22.52
Cl 2.570e-03
Cl- 2.570e-03 2.222e-03 -2.590 -2.653 -0.063 16.56
HCl 7.561e-11 7.735e-11 -10.121 -10.112 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.942 -45.940 0.002 28.65
K 2.329e-02
K+ 2.329e-02 2.012e-02 -1.633 -1.696 -0.064 7.85
Na 2.724e-05
Na+ 2.724e-05 2.370e-05 -4.565 -4.625 -0.060 -3.31
O(0) 1.193e-09
O2 5.966e-10 5.998e-10 -9.224 -9.222 0.002 27.53
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.93 -45.94 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -8.83 -7.28 1.55 NaCl
O2(g) -6.56 -9.22 -2.66 O2
Sylvite -5.11 -4.35 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 9.
Using exchange 9. Exchange assemblage after simulation 6.
Mixture 9.
0.000e+00 Solution 8 Solution after simulation 6.
1.000e+00 Solution 9 Solution after simulation 6.
0.000e+00 Solution 10 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.798e-02 4.798e-02 9.997e-01 0.000
NaX 1.662e-05 1.662e-05 3.462e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.177e-02 2.177e-02
Cl 1.765e-03 1.765e-03
K 2.352e-02 2.352e-02
Na 7.034e-06 7.034e-06
----------------------------Description of solution----------------------------
pH = 7.061 Charge balance
pe = 14.419 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1773
Density (g/cm³) = 1.00186
Volume (L) = 1.00086
Viscosity (mPa s) = 1.78288
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.353e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.253e-08
Temperature (°C) = 0.08
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.795e-08 8.690e-08 -7.009 -7.061 -0.052 0.00
OH- 1.547e-08 1.335e-08 -7.810 -7.875 -0.064 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.177e-02
Br- 2.177e-02 1.872e-02 -1.662 -1.728 -0.066 22.50
Cl 1.765e-03
Cl- 1.765e-03 1.526e-03 -2.753 -2.817 -0.063 16.54
HCl 5.210e-11 5.331e-11 -10.283 -10.273 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.994 -45.992 0.002 28.65
K 2.352e-02
K+ 2.352e-02 2.031e-02 -1.628 -1.692 -0.064 7.84
Na 7.034e-06
Na+ 7.034e-06 6.117e-06 -5.153 -5.213 -0.061 -3.33
O(0) 1.331e-09
O2 6.656e-10 6.693e-10 -9.177 -9.174 0.002 27.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.98 -45.99 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -9.58 -8.03 1.55 NaCl
O2(g) -6.51 -9.17 -2.66 O2
Sylvite -5.27 -4.51 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 10.
Using exchange 10. Exchange assemblage after simulation 6.
Mixture 10.
0.000e+00 Solution 9 Solution after simulation 6.
1.000e+00 Solution 10 Solution after simulation 6.
0.000e+00 Solution 11 Solution after simulation 6.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.800e-02 4.800e-02 9.999e-01 0.000
NaX 4.922e-06 4.922e-06 1.025e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.225e-02 2.225e-02
Cl 1.383e-03 1.383e-03
K 2.363e-02 2.363e-02
Na 2.092e-06 2.092e-06
----------------------------Description of solution----------------------------
pH = 7.060 Charge balance
pe = 14.430 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1778
Density (g/cm³) = 1.00188
Volume (L) = 1.00087
Viscosity (mPa s) = 1.78568
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.363e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.279e-08
Temperature (°C) = 0.03
Electrical balance (eq) = 9.945e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
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
H+ 9.813e-08 8.704e-08 -7.008 -7.060 -0.052 0.00
OH- 1.538e-08 1.327e-08 -7.813 -7.877 -0.064 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.225e-02
Br- 2.225e-02 1.913e-02 -1.653 -1.718 -0.066 22.49
Cl 1.383e-03
Cl- 1.383e-03 1.195e-03 -2.859 -2.923 -0.063 16.54
HCl 4.088e-11 4.184e-11 -10.388 -10.378 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -46.015 -46.012 0.002 28.65
K 2.363e-02
K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84
Na 2.092e-06
Na+ 2.092e-06 1.819e-06 -5.680 -5.740 -0.061 -3.34
O(0) 1.407e-09
O2 7.033e-10 7.071e-10 -9.153 -9.151 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -43.00 -46.01 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.21 -8.66 1.55 NaCl
O2(g) -6.49 -9.15 -2.66 O2
Sylvite -5.38 -4.61 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 7.
------------------------------------
-------------------------------
End of Run after 0.327 Seconds.
-------------------------------
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