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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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 30
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+10 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 30.
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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.
Using solution 11. 24 mM KBr, initial temp 0C
Using exchange 11.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (143 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 12. 24 mM KBr, initial temp 0C
Using exchange 12.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (156 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 13. 24 mM KBr, initial temp 0C
Using exchange 13.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (169 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 14. 24 mM KBr, initial temp 0C
Using exchange 14.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (182 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 15. 24 mM KBr, initial temp 0C
Using exchange 15.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (195 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 16. 24 mM KBr, initial temp 0C
Using exchange 16.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (208 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 17. 24 mM KBr, initial temp 0C
Using exchange 17.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (221 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 18. 24 mM KBr, initial temp 0C
Using exchange 18.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (234 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 19. 24 mM KBr, initial temp 0C
Using exchange 19.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (247 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 20. 24 mM KBr, initial temp 0C
Using exchange 20.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (260 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 21. 24 mM KBr, initial temp 0C
Using exchange 21.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (273 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 22. 24 mM KBr, initial temp 0C
Using exchange 22.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (286 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 23. 24 mM KBr, initial temp 0C
Using exchange 23.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (299 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 24. 24 mM KBr, initial temp 0C
Using exchange 24.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (312 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 25. 24 mM KBr, initial temp 0C
Using exchange 25.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (325 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 26. 24 mM KBr, initial temp 0C
Using exchange 26.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (338 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 27. 24 mM KBr, initial temp 0C
Using exchange 27.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (351 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 28. 24 mM KBr, initial temp 0C
Using exchange 28.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (364 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 29. 24 mM KBr, initial temp 0C
Using exchange 29.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (377 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 30. 24 mM KBr, initial temp 0C
Using exchange 30.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (390 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:
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24 1.9917e-09
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.
2.1734e+01 1.8991e-09
Using mix 1.
Using exchange 1. Exchange assemblage after simulation 2.
Mixture 1.
4.426e-01 Solution 0 Solution after simulation 2.
3.361e-01 Solution 1 Solution after simulation 2.
2.213e-01 Solution 2 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 4.400e-02 4.400e-02 9.168e-01 -0.063
KX 3.995e-03 3.995e-03 8.323e-02 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.302e-03 1.302e-03
Cl 2.270e-02 2.270e-02
K 2.296e-03 2.296e-03
Na 2.170e-02 2.170e-02
----------------------------Description of solution----------------------------
pH = 7.027 Charge balance
pe = 11.834 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 22°C) = 2615
Density (g/cm³) = 0.99889
Volume (L) = 1.00261
Viscosity (mPa s) = 0.96277
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.820e-09
Temperature (°C) = 21.73
Pressure (atm) = 1.00
Electrical balance (eq) = 9.826e-09
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+ 1.065e-07 9.407e-08 -6.973 -7.027 -0.054 0.00
OH- 9.732e-08 8.346e-08 -7.012 -7.079 -0.067 -4.11
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Br 1.302e-03
Br- 1.302e-03 1.113e-03 -2.885 -2.954 -0.068 24.51
Cl 2.270e-02
Cl- 2.270e-02 1.950e-02 -1.644 -1.710 -0.066 18.08
HCl 6.299e-10 6.449e-10 -9.201 -9.191 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.859 -40.857 0.002 28.61
K 2.296e-03
K+ 2.296e-03 1.971e-03 -2.639 -2.705 -0.066 9.00
Na 2.170e-02
Na+ 2.170e-02 1.877e-02 -1.663 -1.727 -0.063 -1.48
O(0) 3.678e-12
O2 1.839e-12 1.849e-12 -11.735 -11.733 0.002 30.14
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(294 K, 1 atm)
H2(g) -37.76 -40.86 -3.09 H2
H2O(g) -1.59 -0.00 1.59 H2O
Halite -5.00 -3.44 1.57 NaCl
O2(g) -8.87 -11.73 -2.87 O2
Sylvite -5.30 -4.42 0.88 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.7329e+01 1.7225e-09
Using mix 2.
Using exchange 2. Exchange assemblage after simulation 2.
Mixture 2.
2.213e-01 Solution 1 Solution after simulation 2.
5.574e-01 Solution 2 Solution after simulation 2.
2.213e-01 Solution 3 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 3.589e-02 3.589e-02 7.476e-01 -0.063
KX 1.211e-02 1.211e-02 2.524e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.882e-03 3.882e-03
Cl 2.012e-02 2.012e-02
K 6.770e-03 6.770e-03
Na 1.723e-02 1.723e-02
----------------------------Description of solution----------------------------
pH = 7.074 Charge balance
pe = 12.143 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 17°C) = 2468
Density (g/cm³) = 0.99992
Volume (L) = 1.00177
Viscosity (mPa s) = 1.07259
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.001e-08
Temperature (°C) = 17.33
Pressure (atm) = 1.00
Electrical balance (eq) = 2.002e-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+ 9.547e-08 8.439e-08 -7.020 -7.074 -0.054 0.00
OH- 7.598e-08 6.523e-08 -7.119 -7.186 -0.066 -4.34
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 3.882e-03
Br- 3.882e-03 3.322e-03 -2.411 -2.479 -0.068 24.25
Cl 2.012e-02
Cl- 2.012e-02 1.730e-02 -1.696 -1.762 -0.065 17.90
HCl 5.153e-10 5.275e-10 -9.288 -9.278 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.551 -41.549 0.002 28.61
K 6.770e-03
K+ 6.770e-03 5.817e-03 -2.169 -2.235 -0.066 8.83
Na 1.723e-02
Na+ 1.723e-02 1.491e-02 -1.764 -1.826 -0.063 -1.75
O(0) 2.986e-12
O2 1.493e-12 1.501e-12 -11.826 -11.824 0.002 29.74
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(290 K, 1 atm)
H2(g) -38.47 -41.55 -3.08 H2
H2O(g) -1.71 -0.00 1.71 H2O
Halite -5.15 -3.59 1.56 NaCl
O2(g) -8.99 -11.82 -2.83 O2
Sylvite -4.86 -4.00 0.86 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.3281e+01 1.5645e-09
Using mix 3.
Using exchange 3. Exchange assemblage after simulation 2.
Mixture 3.
2.213e-01 Solution 2 Solution after simulation 2.
5.574e-01 Solution 3 Solution after simulation 2.
2.213e-01 Solution 4 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
NaX 2.799e-02 2.799e-02 5.830e-01 -0.062
KX 2.001e-02 2.001e-02 4.170e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 6.391e-03 6.391e-03
Cl 1.761e-02 1.761e-02
K 1.090e-02 1.090e-02
Na 1.310e-02 1.310e-02
----------------------------Description of solution----------------------------
pH = 7.109 Charge balance
pe = 12.441 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 13°C) = 2325
Density (g/cm³) = 1.00067
Volume (L) = 1.00119
Viscosity (mPa s) = 1.19248
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.992e-08
Temperature (°C) = 13.28
Pressure (atm) = 1.00
Electrical balance (eq) = 2.993e-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+ 8.801e-08 7.786e-08 -7.055 -7.109 -0.053 0.00
OH- 5.852e-08 5.029e-08 -7.233 -7.299 -0.066 -4.62
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.03
Br 6.391e-03
Br- 6.391e-03 5.474e-03 -2.194 -2.262 -0.067 23.96
Cl 1.761e-02
Cl- 1.761e-02 1.516e-02 -1.754 -1.819 -0.065 17.68
HCl 4.271e-10 4.372e-10 -9.370 -9.359 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.199 -42.197 0.002 28.62
K 1.090e-02
K+ 1.090e-02 9.371e-03 -1.963 -2.028 -0.065 8.65
Na 1.310e-02
Na+ 1.310e-02 1.135e-02 -1.883 -1.945 -0.062 -2.04
O(0) 2.368e-12
O2 1.184e-12 1.190e-12 -11.927 -11.924 0.002 29.32
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(286 K, 1 atm)
H2(g) -39.13 -42.20 -3.07 H2
H2O(g) -1.82 -0.00 1.82 H2O
Halite -5.32 -3.76 1.56 NaCl
O2(g) -9.13 -11.92 -2.80 O2
Sylvite -4.69 -3.85 0.84 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
9.7648e+00 1.4309e-09
Using mix 4.
Using exchange 4. Exchange assemblage after simulation 2.
Mixture 4.
2.213e-01 Solution 3 Solution after simulation 2.
5.574e-01 Solution 4 Solution after simulation 2.
2.213e-01 Solution 5 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 2.723e-02 2.723e-02 5.672e-01 0.000
NaX 2.077e-02 2.077e-02 4.328e-01 -0.062
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 8.788e-03 8.788e-03
Cl 1.521e-02 1.521e-02
K 1.449e-02 1.449e-02
Na 9.513e-03 9.513e-03
----------------------------Description of solution----------------------------
pH = 7.129 Charge balance
pe = 12.714 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 10°C) = 2194
Density (g/cm³) = 1.00117
Volume (L) = 1.00085
Viscosity (mPa s) = 1.31518
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.938e-08
Temperature (°C) = 9.76
Pressure (atm) = 1.00
Electrical balance (eq) = 3.939e-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+ 8.402e-08 7.437e-08 -7.076 -7.129 -0.053 0.00
OH- 4.500e-08 3.870e-08 -7.347 -7.412 -0.066 -4.91
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 8.788e-03
Br- 8.788e-03 7.532e-03 -2.056 -2.123 -0.067 23.65
Cl 1.521e-02
Cl- 1.521e-02 1.311e-02 -1.818 -1.883 -0.065 17.45
HCl 3.605e-10 3.691e-10 -9.443 -9.433 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.767 -42.765 0.002 28.63
K 1.449e-02
K+ 1.449e-02 1.247e-02 -1.839 -1.904 -0.065 8.48
Na 9.513e-03
Na+ 9.513e-03 8.249e-03 -2.022 -2.084 -0.062 -2.32
O(0) 1.845e-12
O2 9.226e-13 9.277e-13 -12.035 -12.033 0.002 28.92
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(282 K, 1 atm)
H2(g) -39.71 -42.76 -3.05 H2
H2O(g) -1.92 -0.00 1.92 H2O
Halite -5.52 -3.97 1.56 NaCl
O2(g) -9.27 -12.03 -2.76 O2
Sylvite -4.61 -3.79 0.82 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
6.8770e+00 1.3238e-09
Using mix 5.
Using exchange 5. Exchange assemblage after simulation 2.
Mixture 5.
2.213e-01 Solution 4 Solution after simulation 2.
5.574e-01 Solution 5 Solution after simulation 2.
2.213e-01 Solution 6 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.337e-02 3.337e-02 6.953e-01 0.000
NaX 1.463e-02 1.463e-02 3.047e-01 -0.062
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.103e-02 1.103e-02
Cl 1.297e-02 1.297e-02
K 1.742e-02 1.742e-02
Na 6.576e-03 6.576e-03
----------------------------Description of solution----------------------------
pH = 7.134 Charge balance
pe = 12.949 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 7°C) = 2083
Density (g/cm³) = 1.00147
Volume (L) = 1.00070
Viscosity (mPa s) = 1.43191
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.825e-08
Temperature (°C) = 6.88
Pressure (atm) = 1.00
Electrical balance (eq) = 4.826e-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+ 8.299e-08 7.349e-08 -7.081 -7.134 -0.053 0.00
OH- 3.505e-08 3.016e-08 -7.455 -7.521 -0.065 -5.19
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.103e-02
Br- 1.103e-02 9.464e-03 -1.957 -2.024 -0.067 23.36
Cl 1.297e-02
Cl- 1.297e-02 1.118e-02 -1.887 -1.952 -0.064 17.23
HCl 3.093e-10 3.167e-10 -9.510 -9.499 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.235 -43.233 0.002 28.63
K 1.742e-02
K+ 1.742e-02 1.501e-02 -1.759 -1.824 -0.065 8.31
Na 6.576e-03
Na+ 6.576e-03 5.705e-03 -2.182 -2.244 -0.062 -2.58
O(0) 1.434e-12
O2 7.171e-13 7.210e-13 -12.144 -12.142 0.002 28.55
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(280 K, 1 atm)
H2(g) -40.19 -43.23 -3.04 H2
H2O(g) -2.00 -0.00 2.00 H2O
Halite -5.75 -4.20 1.55 NaCl
O2(g) -9.41 -12.14 -2.73 O2
Sylvite -4.58 -3.78 0.80 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
4.6334e+00 1.2424e-09
Using mix 6.
Using exchange 6. Exchange assemblage after simulation 2.
Mixture 6.
2.213e-01 Solution 5 Solution after simulation 2.
5.574e-01 Solution 6 Solution after simulation 2.
2.213e-01 Solution 7 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.826e-02 3.826e-02 7.970e-01 0.000
NaX 9.745e-03 9.745e-03 2.030e-01 -0.062
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.310e-02 1.310e-02
Cl 1.090e-02 1.090e-02
K 1.968e-02 1.968e-02
Na 4.319e-03 4.319e-03
----------------------------Description of solution----------------------------
pH = 7.127 Charge balance
pe = 13.142 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 5°C) = 1993
Density (g/cm³) = 1.00163
Volume (L) = 1.00067
Viscosity (mPa s) = 1.53455
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.641e-08
Temperature (°C) = 4.63
Pressure (atm) = 1.00
Electrical balance (eq) = 5.642e-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+ 8.418e-08 7.457e-08 -7.075 -7.127 -0.053 0.00
OH- 2.803e-08 2.413e-08 -7.552 -7.617 -0.065 -5.44
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.310e-02
Br- 1.310e-02 1.124e-02 -1.883 -1.949 -0.066 23.11
Cl 1.090e-02
Cl- 1.090e-02 9.399e-03 -1.963 -2.027 -0.064 17.03
HCl 2.676e-10 2.740e-10 -9.572 -9.562 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.596 -43.594 0.002 28.64
K 1.968e-02
K+ 1.968e-02 1.696e-02 -1.706 -1.771 -0.065 8.17
Na 4.319e-03
Na+ 4.319e-03 3.749e-03 -2.365 -2.426 -0.062 -2.80
O(0) 1.123e-12
O2 5.613e-13 5.644e-13 -12.251 -12.248 0.002 28.23
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(277 K, 1 atm)
H2(g) -40.56 -43.59 -3.03 H2
H2O(g) -2.07 -0.00 2.07 H2O
Halite -6.01 -4.45 1.55 NaCl
O2(g) -9.54 -12.25 -2.71 O2
Sylvite -4.59 -3.80 0.79 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
2.9840e+00 1.1834e-09
Using mix 7.
Using exchange 7. Exchange assemblage after simulation 2.
Mixture 7.
2.213e-01 Solution 6 Solution after simulation 2.
5.574e-01 Solution 7 Solution after simulation 2.
2.213e-01 Solution 8 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.186e-02 4.186e-02 8.721e-01 -0.000
NaX 6.140e-03 6.140e-03 1.279e-01 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.497e-02 1.497e-02
Cl 9.031e-03 9.031e-03
K 2.131e-02 2.131e-02
Na 2.694e-03 2.694e-03
----------------------------Description of solution----------------------------
pH = 7.114 Charge balance
pe = 13.287 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 3°C) = 1926
Density (g/cm³) = 1.00172
Volume (L) = 1.00069
Viscosity (mPa s) = 1.61774
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.379e-08
Temperature (°C) = 2.98
Pressure (atm) = 1.00
Electrical balance (eq) = 6.379e-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+ 8.679e-08 7.690e-08 -7.062 -7.114 -0.053 0.00
OH- 2.324e-08 2.001e-08 -7.634 -7.699 -0.065 -5.64
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.497e-02
Br- 1.497e-02 1.285e-02 -1.825 -1.891 -0.066 22.90
Cl 9.031e-03
Cl- 9.031e-03 7.791e-03 -2.044 -2.108 -0.064 16.87
HCl 2.311e-10 2.366e-10 -9.636 -9.626 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.852 -43.850 0.002 28.64
K 2.131e-02
K+ 2.131e-02 1.836e-02 -1.671 -1.736 -0.065 8.06
Na 2.694e-03
Na+ 2.694e-03 2.339e-03 -2.570 -2.631 -0.061 -2.98
O(0) 8.835e-13
O2 4.417e-13 4.442e-13 -12.355 -12.352 0.002 27.98
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(276 K, 1 atm)
H2(g) -40.82 -43.85 -3.03 H2
H2O(g) -2.12 -0.00 2.12 H2O
Halite -6.29 -4.74 1.55 NaCl
O2(g) -9.66 -12.35 -2.69 O2
Sylvite -4.63 -3.84 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.8357e+00 1.1429e-09
Using mix 8.
Using exchange 8. Exchange assemblage after simulation 2.
Mixture 8.
2.213e-01 Solution 7 Solution after simulation 2.
5.574e-01 Solution 8 Solution after simulation 2.
2.213e-01 Solution 9 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.434e-02 4.434e-02 9.237e-01 0.000
NaX 3.660e-03 3.660e-03 7.625e-02 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.662e-02 1.662e-02
Cl 7.375e-03 7.375e-03
K 2.241e-02 2.241e-02
Na 1.594e-03 1.594e-03
----------------------------Description of solution----------------------------
pH = 7.098 Charge balance
pe = 13.392 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 2°C) = 1879
Density (g/cm³) = 1.00176
Volume (L) = 1.00074
Viscosity (mPa s) = 1.68000
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.033e-08
Temperature (°C) = 1.84
Pressure (atm) = 1.00
Electrical balance (eq) = 7.033e-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+ 9.015e-08 7.989e-08 -7.045 -7.098 -0.052 0.00
OH- 2.002e-08 1.725e-08 -7.699 -7.763 -0.065 -5.79
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.662e-02
Br- 1.662e-02 1.427e-02 -1.779 -1.845 -0.066 22.75
Cl 7.375e-03
Cl- 7.375e-03 6.364e-03 -2.132 -2.196 -0.064 16.75
HCl 1.975e-10 2.022e-10 -9.704 -9.694 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.023 -44.021 0.002 28.64
K 2.241e-02
K+ 2.241e-02 1.932e-02 -1.650 -1.714 -0.064 7.98
Na 1.594e-03
Na+ 1.594e-03 1.385e-03 -2.797 -2.859 -0.061 -3.11
O(0) 7.146e-13
O2 3.573e-13 3.593e-13 -12.447 -12.445 0.002 27.80
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -41.00 -44.02 -3.02 H2
H2O(g) -2.15 -0.00 2.15 H2O
Halite -6.60 -5.05 1.55 NaCl
O2(g) -9.76 -12.44 -2.68 O2
Sylvite -4.68 -3.91 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.0783e+00 1.1165e-09
Using mix 9.
Using exchange 9. Exchange assemblage after simulation 2.
Mixture 9.
2.213e-01 Solution 8 Solution after simulation 2.
5.574e-01 Solution 9 Solution after simulation 2.
2.213e-01 Solution 10 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.593e-02 4.593e-02 9.570e-01 0.000
NaX 2.066e-03 2.066e-03 4.303e-02 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.807e-02 1.807e-02
Cl 5.933e-03 5.933e-03
K 2.310e-02 2.310e-02
Na 8.958e-04 8.958e-04
----------------------------Description of solution----------------------------
pH = 7.081 Charge balance
pe = 13.461 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1847
Density (g/cm³) = 1.00179
Volume (L) = 1.00079
Viscosity (mPa s) = 1.72318
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.602e-08
Temperature (°C) = 1.08
Pressure (atm) = 1.00
Electrical balance (eq) = 7.602e-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+ 9.374e-08 8.308e-08 -7.028 -7.081 -0.052 0.00
OH- 1.788e-08 1.541e-08 -7.748 -7.812 -0.065 -5.89
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.807e-02
Br- 1.807e-02 1.551e-02 -1.743 -1.809 -0.066 22.65
Cl 5.933e-03
Cl- 5.933e-03 5.121e-03 -2.227 -2.291 -0.064 16.66
HCl 1.661e-10 1.700e-10 -9.780 -9.770 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.122 -44.120 0.002 28.64
K 2.310e-02
K+ 2.310e-02 1.992e-02 -1.636 -1.701 -0.064 7.92
Na 8.958e-04
Na+ 8.958e-04 7.780e-04 -3.048 -3.109 -0.061 -3.20
O(0) 5.807e-13
O2 2.903e-13 2.919e-13 -12.537 -12.535 0.002 27.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -41.10 -44.12 -3.02 H2
H2O(g) -2.18 -0.00 2.18 H2O
Halite -6.95 -5.40 1.55 NaCl
O2(g) -9.86 -12.53 -2.67 O2
Sylvite -4.76 -3.99 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
6.0473e-01 1.1000e-09
Using mix 10.
Using exchange 10. Exchange assemblage after simulation 2.
Mixture 10.
2.213e-01 Solution 9 Solution after simulation 2.
5.574e-01 Solution 10 Solution after simulation 2.
2.213e-01 Solution 11 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.690e-02 4.690e-02 9.770e-01 0.000
NaX 1.105e-03 1.105e-03 2.302e-02 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.930e-02 1.930e-02
Cl 4.701e-03 4.701e-03
K 2.352e-02 2.352e-02
Na 4.779e-04 4.779e-04
----------------------------Description of solution----------------------------
pH = 7.065 Charge balance
pe = 13.504 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1827
Density (g/cm³) = 1.00182
Volume (L) = 1.00082
Viscosity (mPa s) = 1.75106
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.088e-08
Temperature (°C) = 0.60
Pressure (atm) = 1.00
Electrical balance (eq) = 8.089e-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+ 9.721e-08 8.616e-08 -7.012 -7.065 -0.052 0.00
OH- 1.646e-08 1.418e-08 -7.784 -7.848 -0.065 -5.96
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.930e-02
Br- 1.930e-02 1.657e-02 -1.714 -1.781 -0.066 22.58
Cl 4.701e-03
Cl- 4.701e-03 4.058e-03 -2.328 -2.392 -0.064 16.61
HCl 1.369e-10 1.401e-10 -9.864 -9.853 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.176 -44.173 0.002 28.64
K 2.352e-02
K+ 2.352e-02 2.028e-02 -1.629 -1.693 -0.064 7.88
Na 4.779e-04
Na+ 4.779e-04 4.151e-04 -3.321 -3.382 -0.061 -3.26
O(0) 4.898e-13
O2 2.449e-13 2.462e-13 -12.611 -12.609 0.002 27.59
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.16 -44.17 -3.01 H2
H2O(g) -2.19 -0.00 2.19 H2O
Halite -7.32 -5.77 1.55 NaCl
O2(g) -9.94 -12.61 -2.67 O2
Sylvite -4.85 -4.08 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
3.2377e-01 1.0903e-09
Using mix 11.
Using exchange 11. Exchange assemblage after simulation 2.
Mixture 11.
2.213e-01 Solution 10 Solution after simulation 2.
5.574e-01 Solution 11 Solution after simulation 2.
2.213e-01 Solution 12 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.744e-02 4.744e-02 9.883e-01 0.000
NaX 5.610e-04 5.610e-04 1.169e-02 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.033e-02 2.033e-02
Cl 3.668e-03 3.668e-03
K 2.376e-02 2.376e-02
Na 2.423e-04 2.423e-04
----------------------------Description of solution----------------------------
pH = 7.051 Charge balance
pe = 13.530 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1816
Density (g/cm³) = 1.00184
Volume (L) = 1.00084
Viscosity (mPa s) = 1.76793
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.497e-08
Temperature (°C) = 0.32
Pressure (atm) = 1.00
Electrical balance (eq) = 8.497e-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+ 1.004e-07 8.896e-08 -6.998 -7.051 -0.052 0.00
OH- 1.551e-08 1.336e-08 -7.809 -7.874 -0.065 -6.00
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.033e-02
Br- 2.033e-02 1.746e-02 -1.692 -1.758 -0.066 22.54
Cl 3.668e-03
Cl- 3.668e-03 3.166e-03 -2.436 -2.500 -0.064 16.57
HCl 1.105e-10 1.131e-10 -9.957 -9.947 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.198 -44.196 0.002 28.64
K 2.376e-02
K+ 2.376e-02 2.049e-02 -1.624 -1.689 -0.064 7.86
Na 2.423e-04
Na+ 2.423e-04 2.104e-04 -3.616 -3.677 -0.061 -3.30
O(0) 4.239e-13
O2 2.120e-13 2.131e-13 -12.674 -12.671 0.002 27.54
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.18 -44.20 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -7.72 -6.18 1.55 NaCl
O2(g) -10.01 -12.67 -2.66 O2
Sylvite -4.95 -4.19 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.6551e-01 1.0848e-09
Using mix 12.
Using exchange 12. Exchange assemblage after simulation 2.
Mixture 12.
2.213e-01 Solution 11 Solution after simulation 2.
5.574e-01 Solution 12 Solution after simulation 2.
2.213e-01 Solution 13 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.773e-02 4.773e-02 9.944e-01 0.000
NaX 2.705e-04 2.705e-04 5.636e-03 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.118e-02 2.118e-02
Cl 2.817e-03 2.817e-03
K 2.388e-02 2.388e-02
Na 1.167e-04 1.167e-04
----------------------------Description of solution----------------------------
pH = 7.039 Charge balance
pe = 13.544 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1809
Density (g/cm³) = 1.00187
Volume (L) = 1.00086
Viscosity (mPa s) = 1.77752
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -8.833e-08
Temperature (°C) = 0.17
Pressure (atm) = 1.00
Electrical balance (eq) = 8.833e-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+ 1.031e-07 9.139e-08 -6.987 -7.039 -0.052 0.00
OH- 1.486e-08 1.280e-08 -7.828 -7.893 -0.065 -6.03
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.118e-02
Br- 2.118e-02 1.819e-02 -1.674 -1.740 -0.066 22.51
Cl 2.817e-03
Cl- 2.817e-03 2.431e-03 -2.550 -2.614 -0.064 16.55
HCl 8.723e-11 8.930e-11 -10.059 -10.049 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.202 -44.200 0.002 28.65
K 2.388e-02
K+ 2.388e-02 2.060e-02 -1.622 -1.686 -0.064 7.85
Na 1.167e-04
Na+ 1.167e-04 1.014e-04 -3.933 -3.994 -0.061 -3.32
O(0) 3.758e-13
O2 1.879e-13 1.889e-13 -12.726 -12.724 0.002 27.52
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.19 -44.20 -3.01 H2
H2O(g) -2.21 -0.00 2.20 H2O
Halite -8.16 -6.61 1.55 NaCl
O2(g) -10.06 -12.72 -2.66 O2
Sylvite -5.07 -4.30 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
8.0802e-02 1.0819e-09
Using mix 13.
Using exchange 13. Exchange assemblage after simulation 2.
Mixture 13.
2.213e-01 Solution 12 Solution after simulation 2.
5.574e-01 Solution 13 Solution after simulation 2.
2.213e-01 Solution 14 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.788e-02 4.788e-02 9.974e-01 0.000
NaX 1.241e-04 1.241e-04 2.585e-03 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.187e-02 2.187e-02
Cl 2.129e-03 2.129e-03
K 2.395e-02 2.395e-02
Na 5.352e-05 5.352e-05
----------------------------Description of solution----------------------------
pH = 7.030 Charge balance
pe = 13.541 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1806
Density (g/cm³) = 1.00189
Volume (L) = 1.00087
Viscosity (mPa s) = 1.78267
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.104e-08
Temperature (°C) = 0.08
Pressure (atm) = 1.00
Electrical balance (eq) = 9.104e-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+ 1.054e-07 9.342e-08 -6.977 -7.030 -0.052 0.00
OH- 1.442e-08 1.242e-08 -7.841 -7.906 -0.065 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.187e-02
Br- 2.187e-02 1.878e-02 -1.660 -1.726 -0.066 22.50
Cl 2.129e-03
Cl- 2.129e-03 1.838e-03 -2.672 -2.736 -0.064 16.54
HCl 6.743e-11 6.903e-11 -10.171 -10.161 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.176 -44.173 0.002 28.65
K 2.395e-02
K+ 2.395e-02 2.065e-02 -1.621 -1.685 -0.064 7.84
Na 5.352e-05
Na+ 5.352e-05 4.649e-05 -4.272 -4.333 -0.061 -3.33
O(0) 3.084e-13
O2 1.542e-13 1.551e-13 -12.812 -12.809 0.002 27.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.16 -44.17 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -8.62 -7.07 1.55 NaCl
O2(g) -10.15 -12.81 -2.66 O2
Sylvite -5.19 -4.42 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
3.7685e-02 1.0804e-09
Using mix 14.
Using exchange 14. Exchange assemblage after simulation 2.
Mixture 14.
2.213e-01 Solution 13 Solution after simulation 2.
5.574e-01 Solution 14 Solution after simulation 2.
2.213e-01 Solution 15 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.795e-02 4.795e-02 9.989e-01 0.000
NaX 5.415e-05 5.415e-05 1.128e-03 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.242e-02 2.242e-02
Cl 1.583e-03 1.583e-03
K 2.398e-02 2.398e-02
Na 2.335e-05 2.335e-05
----------------------------Description of solution----------------------------
pH = 7.022 Charge balance
pe = 13.534 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1805
Density (g/cm³) = 1.00191
Volume (L) = 1.00088
Viscosity (mPa s) = 1.78529
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.320e-08
Temperature (°C) = 0.04
Pressure (atm) = 1.00
Electrical balance (eq) = 9.320e-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+ 1.073e-07 9.507e-08 -6.970 -7.022 -0.052 0.00
OH- 1.411e-08 1.215e-08 -7.851 -7.915 -0.065 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.242e-02
Br- 2.242e-02 1.925e-02 -1.649 -1.715 -0.066 22.49
Cl 1.583e-03
Cl- 1.583e-03 1.366e-03 -2.801 -2.864 -0.064 16.54
HCl 5.104e-11 5.225e-11 -10.292 -10.282 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.147 -44.145 0.002 28.65
K 2.398e-02
K+ 2.398e-02 2.068e-02 -1.620 -1.685 -0.064 7.84
Na 2.335e-05
Na+ 2.335e-05 2.029e-05 -4.632 -4.693 -0.061 -3.33
O(0) 2.600e-13
O2 1.300e-13 1.307e-13 -12.886 -12.884 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.13 -44.14 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -9.11 -7.56 1.55 NaCl
O2(g) -10.22 -12.88 -2.66 O2
Sylvite -5.31 -4.55 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.6798e-02 1.0797e-09
Using mix 15.
Using exchange 15. Exchange assemblage after simulation 2.
Mixture 15.
2.213e-01 Solution 14 Solution after simulation 2.
5.574e-01 Solution 15 Solution after simulation 2.
2.213e-01 Solution 16 Solution after simulation 2.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.798e-02 4.798e-02 9.995e-01 0.000
NaX 2.251e-05 2.251e-05 4.690e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.284e-02 2.284e-02
Cl 1.158e-03 1.158e-03
K 2.399e-02 2.399e-02
Na 9.707e-06 9.707e-06
----------------------------Description of solution----------------------------
pH = 7.016 Charge balance
pe = 13.532 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00192
Volume (L) = 1.00088
Viscosity (mPa s) = 1.78655
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.488e-08
Temperature (°C) = 0.02
Pressure (atm) = 1.00
Electrical balance (eq) = 9.488e-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+ 1.087e-07 9.638e-08 -6.964 -7.016 -0.052 0.00
OH- 1.389e-08 1.197e-08 -7.857 -7.922 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.284e-02
Br- 2.284e-02 1.962e-02 -1.641 -1.707 -0.066 22.49
Cl 1.158e-03
Cl- 1.158e-03 9.995e-04 -2.936 -3.000 -0.064 16.54
HCl 3.785e-11 3.875e-11 -10.422 -10.412 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.131 -44.129 0.002 28.65
K 2.399e-02
K+ 2.399e-02 2.069e-02 -1.620 -1.684 -0.064 7.84
Na 9.707e-06
Na+ 9.707e-06 8.433e-06 -5.013 -5.074 -0.061 -3.34
O(0) 2.376e-13
O2 1.188e-13 1.195e-13 -12.925 -12.923 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.12 -44.13 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -9.62 -8.07 1.55 NaCl
O2(g) -10.26 -12.92 -2.66 O2
Sylvite -5.45 -4.68 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
7.1587e-03 1.0793e-09
Using mix 16.
Using exchange 16. Exchange assemblage after simulation 2.
Mixture 16.
2.213e-01 Solution 15 Solution after simulation 2.
5.574e-01 Solution 16 Solution after simulation 2.
2.213e-01 Solution 17 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 9.998e-01 0.000
NaX 8.920e-06 8.920e-06 1.858e-04 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.317e-02 2.317e-02
Cl 8.331e-04 8.331e-04
K 2.400e-02 2.400e-02
Na 3.846e-06 3.846e-06
----------------------------Description of solution----------------------------
pH = 7.012 Charge balance
pe = 13.517 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00193
Volume (L) = 1.00088
Viscosity (mPa s) = 1.78712
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.616e-08
Temperature (°C) = 0.01
Pressure (atm) = 1.00
Electrical balance (eq) = 9.616e-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+ 1.099e-07 9.739e-08 -6.959 -7.012 -0.052 0.00
OH- 1.373e-08 1.183e-08 -7.862 -7.927 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.317e-02
Br- 2.317e-02 1.990e-02 -1.635 -1.701 -0.066 22.49
Cl 8.331e-04
Cl- 8.331e-04 7.191e-04 -3.079 -3.143 -0.064 16.53
HCl 2.752e-11 2.818e-11 -10.560 -10.550 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.091 -44.088 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.069e-02 -1.620 -1.684 -0.064 7.84
Na 3.846e-06
Na+ 3.846e-06 3.341e-06 -5.415 -5.476 -0.061 -3.34
O(0) 1.952e-13
O2 9.760e-14 9.814e-14 -13.011 -13.008 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.08 -44.09 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.17 -8.62 1.55 NaCl
O2(g) -10.35 -13.01 -2.66 O2
Sylvite -5.59 -4.83 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
2.9184e-03 1.0792e-09
Using mix 17.
Using exchange 17. Exchange assemblage after simulation 2.
Mixture 17.
2.213e-01 Solution 16 Solution after simulation 2.
5.574e-01 Solution 17 Solution after simulation 2.
2.213e-01 Solution 18 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 9.999e-01 0.000
NaX 3.371e-06 3.371e-06 7.023e-05 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.341e-02 2.341e-02
Cl 5.894e-04 5.894e-04
K 2.400e-02 2.400e-02
Na 1.454e-06 1.454e-06
----------------------------Description of solution----------------------------
pH = 7.008 Charge balance
pe = 13.506 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00194
Volume (L) = 1.00088
Viscosity (mPa s) = 1.78736
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.712e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.712e-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+ 1.107e-07 9.815e-08 -6.956 -7.008 -0.052 0.00
OH- 1.362e-08 1.173e-08 -7.866 -7.931 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.341e-02
Br- 2.341e-02 2.011e-02 -1.631 -1.697 -0.066 22.49
Cl 5.894e-04
Cl- 5.894e-04 5.088e-04 -3.230 -3.293 -0.064 16.53
HCl 1.962e-11 2.009e-11 -10.707 -10.697 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.063 -44.061 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.454e-06
Na+ 1.454e-06 1.263e-06 -5.838 -5.899 -0.061 -3.34
O(0) 1.716e-13
O2 8.580e-14 8.627e-14 -13.067 -13.064 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.05 -44.06 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -10.74 -9.19 1.55 NaCl
O2(g) -10.41 -13.06 -2.66 O2
Sylvite -5.74 -4.98 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.1387e-03 1.0791e-09
Using mix 18.
Using exchange 18. Exchange assemblage after simulation 2.
Mixture 18.
2.213e-01 Solution 17 Solution after simulation 2.
5.574e-01 Solution 18 Solution after simulation 2.
2.213e-01 Solution 19 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 1.216e-06 1.216e-06 2.534e-05 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.359e-02 2.359e-02
Cl 4.100e-04 4.100e-04
K 2.400e-02 2.400e-02
Na 5.244e-07 5.244e-07
----------------------------Description of solution----------------------------
pH = 7.006 Charge balance
pe = 13.488 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00195
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78746
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.783e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.783e-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+ 1.114e-07 9.871e-08 -6.953 -7.006 -0.052 0.00
OH- 1.354e-08 1.166e-08 -7.868 -7.933 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.359e-02
Br- 2.359e-02 2.026e-02 -1.627 -1.693 -0.066 22.49
Cl 4.100e-04
Cl- 4.100e-04 3.539e-04 -3.387 -3.451 -0.064 16.53
HCl 1.373e-11 1.405e-11 -10.862 -10.852 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.022 -44.020 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 5.244e-07
Na+ 5.244e-07 4.555e-07 -6.280 -6.341 -0.061 -3.34
O(0) 1.415e-13
O2 7.077e-14 7.116e-14 -13.150 -13.148 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -41.01 -44.02 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -11.34 -9.79 1.55 NaCl
O2(g) -10.49 -13.15 -2.66 O2
Sylvite -5.90 -5.14 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
4.2546e-04 1.0791e-09
Using mix 19.
Using exchange 19. Exchange assemblage after simulation 2.
Mixture 19.
2.213e-01 Solution 18 Solution after simulation 2.
5.574e-01 Solution 19 Solution after simulation 2.
2.213e-01 Solution 20 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 4.191e-07 4.191e-07 8.731e-06 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.372e-02 2.372e-02
Cl 2.804e-04 2.804e-04
K 2.400e-02 2.400e-02
Na 1.807e-07 1.807e-07
----------------------------Description of solution----------------------------
pH = 7.004 Charge balance
pe = 13.473 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78749
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.834e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.834e-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+ 1.118e-07 9.912e-08 -6.952 -7.004 -0.052 0.00
OH- 1.348e-08 1.162e-08 -7.870 -7.935 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.372e-02
Br- 2.372e-02 2.037e-02 -1.625 -1.691 -0.066 22.49
Cl 2.804e-04
Cl- 2.804e-04 2.420e-04 -3.552 -3.616 -0.064 16.53
HCl 9.426e-12 9.650e-12 -11.026 -11.015 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.987 -43.985 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.807e-07
Na+ 1.807e-07 1.570e-07 -6.743 -6.804 -0.061 -3.34
O(0) 1.206e-13
O2 6.030e-14 6.064e-14 -13.220 -13.217 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.97 -43.98 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -11.97 -10.42 1.55 NaCl
O2(g) -10.56 -13.22 -2.66 O2
Sylvite -6.06 -5.30 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.5231e-04 1.0791e-09
Using mix 20.
Using exchange 20. Exchange assemblage after simulation 2.
Mixture 20.
2.213e-01 Solution 19 Solution after simulation 2.
5.574e-01 Solution 20 Solution after simulation 2.
2.213e-01 Solution 21 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 1.381e-07 1.381e-07 2.876e-06 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.381e-02 2.381e-02
Cl 1.884e-04 1.884e-04
K 2.400e-02 2.400e-02
Na 5.953e-08 5.953e-08
----------------------------Description of solution----------------------------
pH = 7.003 Charge balance
pe = 13.444 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.870e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.870e-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+ 1.121e-07 9.941e-08 -6.950 -7.003 -0.052 0.00
OH- 1.344e-08 1.158e-08 -7.872 -7.936 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.381e-02
Br- 2.381e-02 2.045e-02 -1.623 -1.689 -0.066 22.49
Cl 1.884e-04
Cl- 1.884e-04 1.626e-04 -3.725 -3.789 -0.064 16.53
HCl 6.354e-12 6.505e-12 -11.197 -11.187 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.928 -43.925 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 5.953e-08
Na+ 5.953e-08 5.172e-08 -7.225 -7.286 -0.061 -3.34
O(0) 9.158e-14
O2 4.579e-14 4.604e-14 -13.339 -13.337 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.91 -43.93 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -12.62 -11.08 1.55 NaCl
O2(g) -10.68 -13.34 -2.66 O2
Sylvite -6.24 -5.47 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
5.2272e-05 1.0791e-09
Using mix 21.
Using exchange 21. Exchange assemblage after simulation 2.
Mixture 21.
2.213e-01 Solution 20 Solution after simulation 2.
5.574e-01 Solution 21 Solution after simulation 2.
2.213e-01 Solution 22 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 4.351e-08 4.351e-08 9.065e-07 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.388e-02 2.388e-02
Cl 1.245e-04 1.245e-04
K 2.400e-02 2.400e-02
Na 1.876e-08 1.876e-08
----------------------------Description of solution----------------------------
pH = 7.002 Charge balance
pe = 13.436 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.896e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.896e-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+ 1.124e-07 9.961e-08 -6.949 -7.002 -0.052 0.00
OH- 1.341e-08 1.156e-08 -7.872 -7.937 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.388e-02
Br- 2.388e-02 2.051e-02 -1.622 -1.688 -0.066 22.49
Cl 1.245e-04
Cl- 1.245e-04 1.074e-04 -3.905 -3.969 -0.064 16.53
HCl 4.205e-12 4.305e-12 -11.376 -11.366 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.909 -43.907 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.876e-08
Na+ 1.876e-08 1.630e-08 -7.727 -7.788 -0.061 -3.34
O(0) 8.413e-14
O2 4.206e-14 4.230e-14 -13.376 -13.374 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.90 -43.91 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -13.30 -11.76 1.55 NaCl
O2(g) -10.72 -13.37 -2.66 O2
Sylvite -6.42 -5.65 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.7207e-05 1.0791e-09
Using mix 22.
Using exchange 22. Exchange assemblage after simulation 2.
Mixture 22.
2.213e-01 Solution 21 Solution after simulation 2.
5.574e-01 Solution 22 Solution after simulation 2.
2.213e-01 Solution 23 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 1.313e-08 1.313e-08 2.735e-07 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.392e-02 2.392e-02
Cl 8.078e-05 8.078e-05
K 2.400e-02 2.400e-02
Na 5.660e-09 5.660e-09
----------------------------Description of solution----------------------------
pH = 7.001 Charge balance
pe = 13.429 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.913e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.913e-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+ 1.125e-07 9.975e-08 -6.949 -7.001 -0.052 0.00
OH- 1.340e-08 1.154e-08 -7.873 -7.938 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.392e-02
Br- 2.392e-02 2.054e-02 -1.621 -1.687 -0.066 22.49
Cl 8.078e-05
Cl- 8.078e-05 6.973e-05 -4.093 -4.157 -0.064 16.53
HCl 2.733e-12 2.798e-12 -11.563 -11.553 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.895 -43.892 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 5.660e-09
Na+ 5.660e-09 4.917e-09 -8.247 -8.308 -0.061 -3.34
O(0) 7.871e-14
O2 3.935e-14 3.957e-14 -13.405 -13.403 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.88 -43.89 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -14.01 -12.46 1.55 NaCl
O2(g) -10.74 -13.40 -2.66 O2
Sylvite -6.60 -5.84 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
5.4361e-06 1.0791e-09
Using mix 23.
Using exchange 23. Exchange assemblage after simulation 2.
Mixture 23.
2.213e-01 Solution 22 Solution after simulation 2.
5.574e-01 Solution 23 Solution after simulation 2.
2.213e-01 Solution 24 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 3.794e-09 3.794e-09 7.904e-08 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.395e-02 2.395e-02
Cl 5.151e-05 5.151e-05
K 2.400e-02 2.400e-02
Na 1.636e-09 1.636e-09
----------------------------Description of solution----------------------------
pH = 7.001 Charge balance
pe = 13.405 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00196
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.925e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.925e-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+ 1.126e-07 9.984e-08 -6.948 -7.001 -0.052 0.00
OH- 1.338e-08 1.153e-08 -7.873 -7.938 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.395e-02
Br- 2.395e-02 2.057e-02 -1.621 -1.687 -0.066 22.49
Cl 5.151e-05
Cl- 5.151e-05 4.446e-05 -4.288 -4.352 -0.064 16.53
HCl 1.744e-12 1.786e-12 -11.758 -11.748 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.846 -43.844 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.636e-09
Na+ 1.636e-09 1.421e-09 -8.786 -8.847 -0.061 -3.34
O(0) 6.298e-14
O2 3.149e-14 3.167e-14 -13.502 -13.499 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.83 -43.84 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -14.75 -13.20 1.55 NaCl
O2(g) -10.84 -13.50 -2.66 O2
Sylvite -6.80 -6.04 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.6491e-06 1.0791e-09
Using mix 24.
Using exchange 24. Exchange assemblage after simulation 2.
Mixture 24.
2.213e-01 Solution 23 Solution after simulation 2.
5.574e-01 Solution 24 Solution after simulation 2.
2.213e-01 Solution 25 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 1.051e-09 1.051e-09 2.190e-08 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.397e-02 2.397e-02
Cl 3.228e-05 3.228e-05
K 2.400e-02 2.400e-02
Na 4.532e-10 4.532e-10
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.416 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.932e-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 = 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+ 1.127e-07 9.990e-08 -6.948 -7.000 -0.052 0.00
OH- 1.337e-08 1.152e-08 -7.874 -7.938 -0.065 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 2.397e-02
Br- 2.397e-02 2.059e-02 -1.620 -1.686 -0.066 22.49
Cl 3.228e-05
Cl- 3.228e-05 2.786e-05 -4.491 -4.555 -0.064 16.53
HCl 1.094e-12 1.120e-12 -11.961 -11.951 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.866 -43.864 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 4.532e-10
Na+ 4.532e-10 3.937e-10 -9.344 -9.405 -0.061 -3.34
O(0) 6.910e-14
O2 3.455e-14 3.474e-14 -13.462 -13.459 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.85 -43.86 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -15.51 -13.96 1.55 NaCl
O2(g) -10.80 -13.46 -2.66 O2
Sylvite -7.00 -6.24 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
4.8063e-07 1.0791e-09
Using mix 25.
Using exchange 25. Exchange assemblage after simulation 2.
Mixture 25.
2.213e-01 Solution 24 Solution after simulation 2.
5.574e-01 Solution 25 Solution after simulation 2.
2.213e-01 Solution 26 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 2.793e-10 2.793e-10 5.819e-09 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.398e-02 2.398e-02
Cl 1.988e-05 1.988e-05
K 2.400e-02 2.400e-02
Na 1.204e-10 1.204e-10
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.376 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.937e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.937e-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+ 1.127e-07 9.994e-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 2.060e-02 -1.620 -1.686 -0.066 22.49
Cl 1.988e-05
Cl- 1.988e-05 1.716e-05 -4.702 -4.766 -0.064 16.53
HCl 6.739e-13 6.899e-13 -12.171 -12.161 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.788 -43.785 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.204e-10
Na+ 1.204e-10 1.046e-10 -9.919 -9.980 -0.061 -3.34
O(0) 4.806e-14
O2 2.403e-14 2.416e-14 -13.619 -13.617 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.77 -43.79 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -16.29 -14.75 1.55 NaCl
O2(g) -10.96 -13.62 -2.66 O2
Sylvite -7.21 -6.45 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
1.3465e-07 1.0791e-09
Using mix 26.
Using exchange 26. Exchange assemblage after simulation 2.
Mixture 26.
2.213e-01 Solution 25 Solution after simulation 2.
5.574e-01 Solution 26 Solution after simulation 2.
2.213e-01 Solution 27 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 7.125e-11 7.125e-11 1.484e-09 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.399e-02 2.399e-02
Cl 1.205e-05 1.205e-05
K 2.400e-02 2.400e-02
Na 3.072e-11 3.072e-11
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.376 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.940e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.940e-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+ 1.128e-07 9.996e-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 2.399e-02
Br- 2.399e-02 2.060e-02 -1.620 -1.686 -0.066 22.49
Cl 1.205e-05
Cl- 1.205e-05 1.040e-05 -4.919 -4.983 -0.064 16.53
HCl 4.086e-13 4.183e-13 -12.389 -12.378 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.787 -43.785 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 3.072e-11
Na+ 3.072e-11 2.669e-11 -10.513 -10.574 -0.061 -3.34
O(0) 4.792e-14
O2 2.396e-14 2.409e-14 -13.620 -13.618 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.77 -43.78 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -17.10 -15.56 1.55 NaCl
O2(g) -10.96 -13.62 -2.66 O2
Sylvite -7.43 -6.67 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
3.6283e-08 1.0791e-09
Using mix 27.
Using exchange 27. Exchange assemblage after simulation 2.
Mixture 27.
2.213e-01 Solution 26 Solution after simulation 2.
5.574e-01 Solution 27 Solution after simulation 2.
2.213e-01 Solution 28 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 1.746e-11 1.746e-11 3.637e-10 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.399e-02 2.399e-02
Cl 7.227e-06 7.227e-06
K 2.400e-02 2.400e-02
Na 7.527e-12 7.527e-12
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.381 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.942e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
Electrical balance (eq) = 9.942e-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+ 1.128e-07 9.998e-08 -6.948 -7.000 -0.052 0.00
OH- 1.336e-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 2.399e-02
Br- 2.399e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
Cl 7.227e-06
Cl- 7.227e-06 6.238e-06 -5.141 -5.205 -0.064 16.53
HCl 2.451e-13 2.509e-13 -12.611 -12.600 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.796 -43.794 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 7.527e-12
Na+ 7.527e-12 6.538e-12 -11.123 -11.185 -0.061 -3.34
O(0) 4.999e-14
O2 2.500e-14 2.513e-14 -13.602 -13.600 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.78 -43.79 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -17.94 -16.39 1.55 NaCl
O2(g) -10.94 -13.60 -2.66 O2
Sylvite -7.65 -6.89 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
9.4125e-09 1.0791e-09
Using mix 28.
Using exchange 28. Exchange assemblage after simulation 2.
Mixture 28.
2.213e-01 Solution 27 Solution after simulation 2.
5.574e-01 Solution 28 Solution after simulation 2.
2.213e-01 Solution 29 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 4.111e-12 4.111e-12 8.565e-11 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
Cl 4.357e-06 4.357e-06
K 2.400e-02 2.400e-02
Na 1.773e-12 1.773e-12
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.370 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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
Pressure (atm) = 1.00
Electrical balance (eq) = 9.943e-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+ 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 4.357e-06
Cl- 4.357e-06 3.761e-06 -5.361 -5.425 -0.064 16.53
HCl 1.478e-13 1.513e-13 -12.830 -12.820 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.775 -43.773 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.773e-12
Na+ 1.773e-12 1.540e-12 -11.751 -11.812 -0.061 -3.34
O(0) 4.538e-14
O2 2.269e-14 2.282e-14 -13.644 -13.642 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.76 -43.77 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -18.79 -17.24 1.55 NaCl
O2(g) -10.98 -13.64 -2.66 O2
Sylvite -7.87 -7.11 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
2.3768e-09 1.0791e-09
Using mix 29.
Using exchange 29. Exchange assemblage after simulation 2.
Mixture 29.
2.213e-01 Solution 28 Solution after simulation 2.
5.574e-01 Solution 29 Solution after simulation 2.
2.213e-01 Solution 30 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 9.388e-13 9.388e-13 1.956e-11 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
Cl 2.769e-06 2.769e-06
K 2.400e-02 2.400e-02
Na 4.048e-13 4.048e-13
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.313 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.944e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
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+ 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 2.769e-06
Cl- 2.769e-06 2.390e-06 -5.558 -5.622 -0.064 16.53
HCl 9.391e-14 9.615e-14 -13.027 -13.017 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.661 -43.658 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 4.048e-13
Na+ 4.048e-13 3.517e-13 -12.393 -12.454 -0.061 -3.34
O(0) 2.678e-14
O2 1.339e-14 1.346e-14 -13.873 -13.871 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.65 -43.66 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -19.62 -18.08 1.55 NaCl
O2(g) -11.21 -13.87 -2.66 O2
Sylvite -8.07 -7.31 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
6.9499e-10 1.0791e-09
Using mix 30.
Using exchange 30. Exchange assemblage after simulation 2.
Mixture 30.
2.213e-01 Solution 29 Solution after simulation 2.
7.787e-01 Solution 30 Solution after simulation 2.
0.000e+00 Solution 31 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 2.451e-13 2.451e-13 5.105e-12 -0.061
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.400e-02 2.400e-02
Cl 2.066e-06 2.066e-06
K 2.400e-02 2.400e-02
Na 1.057e-13 1.057e-13
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 13.323 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.400e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.944e-08
Temperature (°C) = 0.00
Pressure (atm) = 1.00
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+ 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 2.066e-06
Cl- 2.066e-06 1.783e-06 -5.685 -5.749 -0.064 16.53
HCl 7.007e-14 7.174e-14 -13.154 -13.144 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.680 -43.678 0.002 28.65
K 2.400e-02
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
Na 1.057e-13
Na+ 1.057e-13 9.179e-14 -12.976 -13.037 -0.061 -3.34
O(0) 2.933e-14
O2 1.467e-14 1.475e-14 -13.834 -13.831 0.002 27.49
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -40.67 -43.68 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -20.33 -18.79 1.55 NaCl
O2(g) -11.17 -13.83 -2.66 O2
Sylvite -8.20 -7.43 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.
------------------------------------
Reinitialize the column...
WARNING: Unknown input, no keyword has been specified.
copy cell 31 1-30
END
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
TRANSPORT
multi_d true 0.3e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
thermal_diffusion 3.0 1.33e-9 # efine the diffusion coefficient for heat to be 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 = 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 = 8, 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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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.
Using solution 11. 24 mM KBr, initial temp 0C
Using exchange 11.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (143 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 12. 24 mM KBr, initial temp 0C
Using exchange 12.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (156 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 13. 24 mM KBr, initial temp 0C
Using exchange 13.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (169 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 14. 24 mM KBr, initial temp 0C
Using exchange 14.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (182 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 15. 24 mM KBr, initial temp 0C
Using exchange 15.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (195 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 16. 24 mM KBr, initial temp 0C
Using exchange 16.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (208 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 17. 24 mM KBr, initial temp 0C
Using exchange 17.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (221 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 18. 24 mM KBr, initial temp 0C
Using exchange 18.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (234 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 19. 24 mM KBr, initial temp 0C
Using exchange 19.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (247 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 20. 24 mM KBr, initial temp 0C
Using exchange 20.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (260 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 21. 24 mM KBr, initial temp 0C
Using exchange 21.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (273 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 22. 24 mM KBr, initial temp 0C
Using exchange 22.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (286 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 23. 24 mM KBr, initial temp 0C
Using exchange 23.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (299 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 24. 24 mM KBr, initial temp 0C
Using exchange 24.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (312 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 25. 24 mM KBr, initial temp 0C
Using exchange 25.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (325 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 26. 24 mM KBr, initial temp 0C
Using exchange 26.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (338 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 27. 24 mM KBr, initial temp 0C
Using exchange 27.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (351 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 28. 24 mM KBr, initial temp 0C
Using exchange 28.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (364 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 29. 24 mM KBr, initial temp 0C
Using exchange 29.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (377 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 30. 24 mM KBr, initial temp 0C
Using exchange 30.
-----------------------------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) = 1804
Density (g/cm³) = 1.00197
Volume (L) = 1.00089
Viscosity (mPa s) = 1.78750
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 (390 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: 30 (mobile) cells, 1 shifts, 723 mixruns, max. mixf = 3.
Transport step 1. Multicomponent diffusion run 723.
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 4.651e-02 4.651e-02 9.689e-01 -0.063
KX 1.493e-03 1.493e-03 3.111e-02 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.009e-04 5.009e-04
Cl 2.337e-02 2.337e-02
K 8.607e-04 8.607e-04
Na 2.301e-02 2.301e-02
----------------------------Description of solution----------------------------
pH = 7.009 Charge balance
pe = 11.983 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 23°C) = 2634
Density (g/cm³) = 0.99857
Volume (L) = 1.00286
Viscosity (mPa s) = 0.93620
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.387e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.009e-09
Temperature (°C) = 22.92
Pressure (atm) = 1.00
Electrical balance (eq) = 9.972e-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+ 1.109e-07 9.797e-08 -6.955 -7.009 -0.054 0.00
OH- 1.026e-07 8.798e-08 -6.989 -7.056 -0.067 -4.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
Br 5.009e-04
Br- 5.009e-04 4.281e-04 -3.300 -3.368 -0.068 24.57
Cl 2.337e-02
Cl- 2.337e-02 2.008e-02 -1.631 -1.697 -0.066 18.12
HCl 6.705e-10 6.864e-10 -9.174 -9.163 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.128 -41.126 0.002 28.61
K 8.607e-04
K+ 8.607e-04 7.388e-04 -3.065 -3.131 -0.066 9.04
Na 2.301e-02
Na+ 2.301e-02 1.990e-02 -1.638 -1.701 -0.063 -1.41
O(0) 3.126e-11
O2 1.563e-11 1.572e-11 -10.806 -10.804 0.002 30.23
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(296 K, 1 atm)
H2(g) -38.03 -41.13 -3.10 H2
H2O(g) -1.56 -0.00 1.56 H2O
Halite -4.97 -3.40 1.57 NaCl
O2(g) -7.93 -10.80 -2.88 O2
Sylvite -5.72 -4.83 0.89 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 4.341e-02 4.341e-02 9.044e-01 -0.063
KX 4.590e-03 4.590e-03 9.563e-02 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.489e-03 1.489e-03
Cl 2.212e-02 2.212e-02
K 2.587e-03 2.587e-03
Na 2.102e-02 2.102e-02
----------------------------Description of solution----------------------------
pH = 7.025 Charge balance
pe = 12.267 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 21°C) = 2530
Density (g/cm³) = 0.99910
Volume (L) = 1.00239
Viscosity (mPa s) = 0.98472
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.361e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.733e-08
Temperature (°C) = 20.79
Pressure (atm) = 1.00
Electrical balance (eq) = 1.008e-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+ 1.067e-07 9.431e-08 -6.972 -7.025 -0.054 0.00
OH- 8.998e-08 7.727e-08 -7.046 -7.112 -0.066 -4.15
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05
Br 1.489e-03
Br- 1.489e-03 1.274e-03 -2.827 -2.895 -0.068 24.46
Cl 2.212e-02
Cl- 2.212e-02 1.903e-02 -1.655 -1.721 -0.065 18.05
HCl 6.200e-10 6.345e-10 -9.208 -9.198 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -41.718 -41.715 0.002 28.61
K 2.587e-03
K+ 2.587e-03 2.223e-03 -2.587 -2.653 -0.066 8.97
Na 2.102e-02
Na+ 2.102e-02 1.820e-02 -1.677 -1.740 -0.063 -1.54
O(0) 9.366e-11
O2 4.683e-11 4.709e-11 -10.329 -10.327 0.002 30.05
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(293 K, 1 atm)
H2(g) -38.63 -41.72 -3.09 H2
H2O(g) -1.61 -0.00 1.61 H2O
Halite -5.03 -3.46 1.57 NaCl
O2(g) -7.47 -10.33 -2.86 O2
Sylvite -5.25 -4.37 0.88 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
NaX 4.017e-02 4.017e-02 8.369e-01 -0.062
KX 7.827e-03 7.827e-03 1.631e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 2.450e-03 2.450e-03
Cl 2.090e-02 2.090e-02
K 4.311e-03 4.311e-03
Na 1.904e-02 1.904e-02
----------------------------Description of solution----------------------------
pH = 7.040 Charge balance
pe = 12.487 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 19°C) = 2429
Density (g/cm³) = 0.99956
Volume (L) = 1.00198
Viscosity (mPa s) = 1.03639
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.335e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.501e-08
Temperature (°C) = 18.70
Pressure (atm) = 1.00
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+ 1.030e-07 9.115e-08 -6.987 -7.040 -0.053 0.00
OH- 7.859e-08 6.756e-08 -7.105 -7.170 -0.066 -4.27
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 2.450e-03
Br- 2.450e-03 2.100e-03 -2.611 -2.678 -0.067 24.34
Cl 2.090e-02
Cl- 2.090e-02 1.800e-02 -1.680 -1.745 -0.065 17.96
HCl 5.745e-10 5.878e-10 -9.241 -9.231 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.178 -42.176 0.002 28.61
K 4.311e-03
K+ 4.311e-03 3.709e-03 -2.365 -2.431 -0.065 8.89
Na 1.904e-02
Na+ 1.904e-02 1.650e-02 -1.720 -1.782 -0.062 -1.67
O(0) 1.558e-10
O2 7.789e-11 7.831e-11 -10.109 -10.106 0.002 29.87
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(291 K, 1 atm)
H2(g) -39.09 -42.18 -3.08 H2
H2O(g) -1.67 -0.00 1.67 H2O
Halite -5.09 -3.53 1.56 NaCl
O2(g) -7.26 -10.11 -2.84 O2
Sylvite -5.04 -4.18 0.87 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
NaX 3.683e-02 3.683e-02 7.673e-01 -0.062
KX 1.117e-02 1.117e-02 2.327e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 3.385e-03 3.385e-03
Cl 1.972e-02 1.972e-02
K 6.015e-03 6.015e-03
Na 1.709e-02 1.709e-02
----------------------------Description of solution----------------------------
pH = 7.053 Charge balance
pe = 12.686 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 17°C) = 2333
Density (g/cm³) = 0.99997
Volume (L) = 1.00163
Viscosity (mPa s) = 1.09077
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.310e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.205e-08
Temperature (°C) = 16.67
Pressure (atm) = 1.00
Electrical balance (eq) = 1.001e-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+ 9.996e-08 8.851e-08 -7.000 -7.053 -0.053 0.00
OH- 6.844e-08 5.891e-08 -7.165 -7.230 -0.065 -4.39
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
Br 3.385e-03
Br- 3.385e-03 2.904e-03 -2.470 -2.537 -0.067 24.20
Cl 1.972e-02
Cl- 1.972e-02 1.700e-02 -1.705 -1.770 -0.064 17.87
HCl 5.336e-10 5.458e-10 -9.273 -9.263 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.594 -42.592 0.002 28.62
K 6.015e-03
K+ 6.015e-03 5.182e-03 -2.221 -2.286 -0.065 8.80
Na 1.709e-02
Na+ 1.709e-02 1.482e-02 -1.767 -1.829 -0.062 -1.80
O(0) 2.174e-10
O2 1.087e-10 1.093e-10 -9.964 -9.961 0.002 29.67
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(289 K, 1 atm)
H2(g) -39.51 -42.59 -3.08 H2
H2O(g) -1.72 -0.00 1.72 H2O
Halite -5.16 -3.60 1.56 NaCl
O2(g) -7.13 -9.96 -2.83 O2
Sylvite -4.91 -4.06 0.86 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
NaX 3.341e-02 3.341e-02 6.961e-01 -0.061
KX 1.459e-02 1.459e-02 3.039e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 4.291e-03 4.291e-03
Cl 1.857e-02 1.857e-02
K 7.684e-03 7.684e-03
Na 1.518e-02 1.518e-02
----------------------------Description of solution----------------------------
pH = 7.064 Charge balance
pe = 12.874 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 15°C) = 2242
Density (g/cm³) = 1.00032
Volume (L) = 1.00133
Viscosity (mPa s) = 1.14723
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.286e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.840e-08
Temperature (°C) = 14.73
Pressure (atm) = 1.00
Electrical balance (eq) = 1.000e-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+ 9.746e-08 8.636e-08 -7.011 -7.064 -0.052 0.00
OH- 5.955e-08 5.132e-08 -7.225 -7.290 -0.065 -4.52
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.03
Br 4.291e-03
Br- 4.291e-03 3.686e-03 -2.367 -2.433 -0.066 24.06
Cl 1.857e-02
Cl- 1.857e-02 1.603e-02 -1.731 -1.795 -0.064 17.76
HCl 4.970e-10 5.083e-10 -9.304 -9.294 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.981 -42.979 0.002 28.62
K 7.684e-03
K+ 7.684e-03 6.627e-03 -2.114 -2.179 -0.064 8.72
Na 1.518e-02
Na+ 1.518e-02 1.318e-02 -1.819 -1.880 -0.061 -1.94
O(0) 2.784e-10
O2 1.392e-10 1.399e-10 -9.856 -9.854 0.002 29.48
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(287 K, 1 atm)
H2(g) -39.91 -42.98 -3.07 H2
H2O(g) -1.78 -0.00 1.78 H2O
Halite -5.24 -3.68 1.56 NaCl
O2(g) -7.04 -9.85 -2.81 O2
Sylvite -4.82 -3.97 0.85 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
NaX 2.997e-02 2.997e-02 6.243e-01 -0.061
KX 1.803e-02 1.803e-02 3.757e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 5.168e-03 5.168e-03
Cl 1.747e-02 1.747e-02
K 9.300e-03 9.300e-03
Na 1.334e-02 1.334e-02
----------------------------Description of solution----------------------------
pH = 7.072 Charge balance
pe = 13.050 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 13°C) = 2158
Density (g/cm³) = 1.00061
Volume (L) = 1.00110
Viscosity (mPa s) = 1.20503
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.264e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.405e-08
Temperature (°C) = 12.90
Pressure (atm) = 1.00
Electrical balance (eq) = 9.996e-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+ 9.548e-08 8.467e-08 -7.020 -7.072 -0.052 0.00
OH- 5.189e-08 4.476e-08 -7.285 -7.349 -0.064 -4.65
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.03
Br 5.168e-03
Br- 5.168e-03 4.444e-03 -2.287 -2.352 -0.066 23.92
Cl 1.747e-02
Cl- 1.747e-02 1.510e-02 -1.758 -1.821 -0.063 17.66
HCl 4.643e-10 4.747e-10 -9.333 -9.324 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.343 -43.341 0.002 28.62
K 9.300e-03
K+ 9.300e-03 8.028e-03 -2.032 -2.095 -0.064 8.63
Na 1.334e-02
Na+ 1.334e-02 1.160e-02 -1.875 -1.936 -0.061 -2.07
O(0) 3.385e-10
O2 1.692e-10 1.701e-10 -9.771 -9.769 0.002 29.28
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(286 K, 1 atm)
H2(g) -40.28 -43.34 -3.07 H2
H2O(g) -1.83 -0.00 1.83 H2O
Halite -5.32 -3.76 1.56 NaCl
O2(g) -6.98 -9.77 -2.79 O2
Sylvite -4.75 -3.92 0.84 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
NaX 2.654e-02 2.654e-02 5.530e-01 -0.060
KX 2.146e-02 2.146e-02 4.470e-01 0.000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 6.018e-03 6.018e-03
Cl 1.642e-02 1.642e-02
K 1.085e-02 1.085e-02
Na 1.159e-02 1.159e-02
----------------------------Description of solution----------------------------
pH = 7.079 Charge balance
pe = 13.216 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 11°C) = 2080
Density (g/cm³) = 1.00084
Volume (L) = 1.00091
Viscosity (mPa s) = 1.26331
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.244e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -4.903e-08
Temperature (°C) = 11.19
Pressure (atm) = 1.00
Electrical balance (eq) = 9.990e-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+ 9.396e-08 8.338e-08 -7.027 -7.079 -0.052 0.00
OH- 4.536e-08 3.916e-08 -7.343 -7.407 -0.064 -4.79
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 6.018e-03
Br- 6.018e-03 5.179e-03 -2.221 -2.286 -0.065 23.78
Cl 1.642e-02
Cl- 1.642e-02 1.420e-02 -1.785 -1.848 -0.063 17.55
HCl 4.348e-10 4.445e-10 -9.362 -9.352 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.679 -43.677 0.002 28.62
K 1.085e-02
K+ 1.085e-02 9.372e-03 -1.965 -2.028 -0.063 8.55
Na 1.159e-02
Na+ 1.159e-02 1.009e-02 -1.936 -1.996 -0.060 -2.21
O(0) 3.976e-10
O2 1.988e-10 1.998e-10 -9.702 -9.699 0.002 29.09
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(284 K, 1 atm)
H2(g) -40.62 -43.68 -3.06 H2
H2O(g) -1.88 -0.00 1.88 H2O
Halite -5.40 -3.84 1.56 NaCl
O2(g) -6.92 -9.70 -2.78 O2
Sylvite -4.70 -3.88 0.83 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 2.480e-02 2.480e-02 5.167e-01 0.000
NaX 2.320e-02 2.320e-02 4.833e-01 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 6.839e-03 6.839e-03
Cl 1.542e-02 1.542e-02
K 1.231e-02 1.231e-02
Na 9.954e-03 9.954e-03
----------------------------Description of solution----------------------------
pH = 7.084 Charge balance
pe = 13.370 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 10°C) = 2011
Density (g/cm³) = 1.00102
Volume (L) = 1.00078
Viscosity (mPa s) = 1.32113
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.226e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.337e-08
Temperature (°C) = 9.62
Pressure (atm) = 1.00
Electrical balance (eq) = 9.984e-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+ 9.284e-08 8.243e-08 -7.032 -7.084 -0.052 0.00
OH- 3.987e-08 3.446e-08 -7.399 -7.463 -0.063 -4.93
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 6.839e-03
Br- 6.839e-03 5.891e-03 -2.165 -2.230 -0.065 23.63
Cl 1.542e-02
Cl- 1.542e-02 1.335e-02 -1.812 -1.875 -0.063 17.44
HCl 4.081e-10 4.171e-10 -9.389 -9.380 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.990 -43.988 0.002 28.63
K 1.231e-02
K+ 1.231e-02 1.064e-02 -1.910 -1.973 -0.063 8.46
Na 9.954e-03
Na+ 9.954e-03 8.668e-03 -2.002 -2.062 -0.060 -2.34
O(0) 4.554e-10
O2 2.277e-10 2.289e-10 -9.643 -9.640 0.002 28.90
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(282 K, 1 atm)
H2(g) -40.93 -43.99 -3.05 H2
H2O(g) -1.92 -0.00 1.92 H2O
Halite -5.49 -3.94 1.56 NaCl
O2(g) -6.88 -9.64 -2.76 O2
Sylvite -4.67 -3.85 0.82 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 2.801e-02 2.801e-02 5.836e-01 0.000
NaX 1.999e-02 1.999e-02 4.164e-01 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 7.634e-03 7.634e-03
Cl 1.448e-02 1.448e-02
K 1.367e-02 1.367e-02
Na 8.441e-03 8.441e-03
----------------------------Description of solution----------------------------
pH = 7.087 Charge balance
pe = 13.512 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 8°C) = 1949
Density (g/cm³) = 1.00116
Volume (L) = 1.00069
Viscosity (mPa s) = 1.37753
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.211e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.712e-08
Temperature (°C) = 8.18
Pressure (atm) = 1.00
Electrical balance (eq) = 9.978e-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+ 9.205e-08 8.177e-08 -7.036 -7.087 -0.051 0.00
OH- 3.531e-08 3.053e-08 -7.452 -7.515 -0.063 -5.06
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 7.634e-03
Br- 7.634e-03 6.581e-03 -2.117 -2.182 -0.064 23.49
Cl 1.448e-02
Cl- 1.448e-02 1.254e-02 -1.839 -1.902 -0.062 17.33
HCl 3.837e-10 3.921e-10 -9.416 -9.407 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.274 -44.272 0.002 28.63
K 1.367e-02
K+ 1.367e-02 1.183e-02 -1.864 -1.927 -0.063 8.38
Na 8.441e-03
Na+ 8.441e-03 7.355e-03 -2.074 -2.133 -0.060 -2.47
O(0) 5.119e-10
O2 2.560e-10 2.573e-10 -9.592 -9.590 0.002 28.72
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(281 K, 1 atm)
H2(g) -41.22 -44.27 -3.05 H2
H2O(g) -1.96 -0.00 1.96 H2O
Halite -5.59 -4.04 1.56 NaCl
O2(g) -6.84 -9.59 -2.75 O2
Sylvite -4.64 -3.83 0.81 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 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.103e-02 3.103e-02 6.465e-01 0.000
NaX 1.697e-02 1.697e-02 3.535e-01 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 8.403e-03 8.403e-03
Cl 1.359e-02 1.359e-02
K 1.493e-02 1.493e-02
Na 7.066e-03 7.066e-03
----------------------------Description of solution----------------------------
pH = 7.090 Charge balance
pe = 13.641 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 7°C) = 1895
Density (g/cm³) = 1.00127
Volume (L) = 1.00063
Viscosity (mPa s) = 1.43158
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.199e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.032e-08
Temperature (°C) = 6.89
Pressure (atm) = 1.00
Electrical balance (eq) = 9.972e-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+ 9.151e-08 8.132e-08 -7.039 -7.090 -0.051 0.00
OH- 3.155e-08 2.730e-08 -7.501 -7.564 -0.063 -5.19
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 8.403e-03
Br- 8.403e-03 7.248e-03 -2.076 -2.140 -0.064 23.36
Cl 1.359e-02
Cl- 1.359e-02 1.178e-02 -1.867 -1.929 -0.062 17.23
HCl 3.613e-10 3.692e-10 -9.442 -9.433 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.531 -44.528 0.002 28.63
K 1.493e-02
K+ 1.493e-02 1.292e-02 -1.826 -1.889 -0.063 8.31
Na 7.066e-03
Na+ 7.066e-03 6.160e-03 -2.151 -2.210 -0.060 -2.59
O(0) 5.669e-10
O2 2.835e-10 2.849e-10 -9.548 -9.545 0.002 28.55
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(280 K, 1 atm)
H2(g) -41.49 -44.53 -3.04 H2
H2O(g) -2.00 -0.00 2.00 H2O
Halite -5.69 -4.14 1.55 NaCl
O2(g) -6.81 -9.55 -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 11.
Using exchange 11. Exchange assemblage after simulation 4.
Mixture 11.
0.000e+00 Solution 10 Solution after simulation 4.
1.000e+00 Solution 11 Solution after simulation 4.
0.000e+00 Solution 12 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.381e-02 3.381e-02 7.045e-01 0.000
NaX 1.419e-02 1.419e-02 2.955e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 9.147e-03 9.147e-03
Cl 1.275e-02 1.275e-02
K 1.606e-02 1.606e-02
Na 5.837e-03 5.837e-03
----------------------------Description of solution----------------------------
pH = 7.091 Charge balance
pe = 13.757 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 6°C) = 1849
Density (g/cm³) = 1.00134
Volume (L) = 1.00060
Viscosity (mPa s) = 1.48246
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.190e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.302e-08
Temperature (°C) = 5.75
Pressure (atm) = 1.00
Electrical balance (eq) = 9.967e-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+ 9.115e-08 8.104e-08 -7.040 -7.091 -0.051 0.00
OH- 2.847e-08 2.465e-08 -7.546 -7.608 -0.063 -5.32
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 9.147e-03
Br- 9.147e-03 7.894e-03 -2.039 -2.103 -0.064 23.23
Cl 1.275e-02
Cl- 1.275e-02 1.106e-02 -1.894 -1.956 -0.062 17.13
HCl 3.405e-10 3.478e-10 -9.468 -9.459 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.760 -44.758 0.002 28.63
K 1.606e-02
K+ 1.606e-02 1.391e-02 -1.794 -1.857 -0.062 8.24
Na 5.837e-03
Na+ 5.837e-03 5.091e-03 -2.234 -2.293 -0.059 -2.70
O(0) 6.202e-10
O2 3.101e-10 3.116e-10 -9.509 -9.506 0.002 28.39
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(278 K, 1 atm)
H2(g) -41.72 -44.76 -3.04 H2
H2O(g) -2.04 -0.00 2.03 H2O
Halite -5.80 -4.25 1.55 NaCl
O2(g) -6.78 -9.51 -2.72 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 12.
Using exchange 12. Exchange assemblage after simulation 4.
Mixture 12.
0.000e+00 Solution 11 Solution after simulation 4.
1.000e+00 Solution 12 Solution after simulation 4.
0.000e+00 Solution 13 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.632e-02 3.632e-02 7.567e-01 0.000
NaX 1.168e-02 1.168e-02 2.433e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 9.867e-03 9.867e-03
Cl 1.197e-02 1.197e-02
K 1.708e-02 1.708e-02
Na 4.758e-03 4.758e-03
----------------------------Description of solution----------------------------
pH = 7.092 Charge balance
pe = 13.860 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 5°C) = 1809
Density (g/cm³) = 1.00140
Volume (L) = 1.00059
Viscosity (mPa s) = 1.52948
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.183e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.529e-08
Temperature (°C) = 4.75
Pressure (atm) = 1.00
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+ 9.094e-08 8.087e-08 -7.041 -7.092 -0.051 0.00
OH- 2.597e-08 2.249e-08 -7.585 -7.648 -0.062 -5.43
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 9.867e-03
Br- 9.867e-03 8.519e-03 -2.006 -2.070 -0.064 23.12
Cl 1.197e-02
Cl- 1.197e-02 1.038e-02 -1.922 -1.984 -0.062 17.03
HCl 3.210e-10 3.279e-10 -9.494 -9.484 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.963 -44.961 0.002 28.64
K 1.708e-02
K+ 1.708e-02 1.480e-02 -1.768 -1.830 -0.062 8.17
Na 4.758e-03
Na+ 4.758e-03 4.152e-03 -2.323 -2.382 -0.059 -2.80
O(0) 6.716e-10
O2 3.358e-10 3.375e-10 -9.474 -9.472 0.002 28.25
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(277 K, 1 atm)
H2(g) -41.93 -44.96 -3.03 H2
H2O(g) -2.07 -0.00 2.06 H2O
Halite -5.92 -4.37 1.55 NaCl
O2(g) -6.76 -9.47 -2.71 O2
Sylvite -4.61 -3.81 0.79 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 13.
Using exchange 13. Exchange assemblage after simulation 4.
Mixture 13.
0.000e+00 Solution 12 Solution after simulation 4.
1.000e+00 Solution 13 Solution after simulation 4.
0.000e+00 Solution 14 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 3.853e-02 3.853e-02 8.028e-01 0.000
NaX 9.468e-03 9.468e-03 1.972e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.056e-02 1.056e-02
Cl 1.123e-02 1.123e-02
K 1.797e-02 1.797e-02
Na 3.828e-03 3.828e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 13.950 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 4°C) = 1777
Density (g/cm³) = 1.00144
Volume (L) = 1.00060
Viscosity (mPa s) = 1.57214
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.180e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.717e-08
Temperature (°C) = 3.88
Pressure (atm) = 1.00
Electrical balance (eq) = 9.960e-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+ 9.082e-08 8.078e-08 -7.042 -7.093 -0.051 0.00
OH- 2.395e-08 2.075e-08 -7.621 -7.683 -0.062 -5.54
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.056e-02
Br- 1.056e-02 9.123e-03 -1.976 -2.040 -0.064 23.01
Cl 1.123e-02
Cl- 1.123e-02 9.746e-03 -1.950 -2.011 -0.062 16.95
HCl 3.027e-10 3.092e-10 -9.519 -9.510 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.140 -45.138 0.002 28.64
K 1.797e-02
K+ 1.797e-02 1.558e-02 -1.745 -1.808 -0.062 8.12
Na 3.828e-03
Na+ 3.828e-03 3.340e-03 -2.417 -2.476 -0.059 -2.90
O(0) 7.211e-10
O2 3.605e-10 3.623e-10 -9.443 -9.441 0.002 28.12
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(277 K, 1 atm)
H2(g) -42.11 -45.14 -3.03 H2
H2O(g) -2.09 -0.00 2.09 H2O
Halite -6.04 -4.49 1.55 NaCl
O2(g) -6.74 -9.44 -2.70 O2
Sylvite -4.61 -3.82 0.79 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 14.
Using exchange 14. Exchange assemblage after simulation 4.
Mixture 14.
0.000e+00 Solution 13 Solution after simulation 4.
1.000e+00 Solution 14 Solution after simulation 4.
0.000e+00 Solution 15 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.044e-02 4.044e-02 8.425e-01 0.000
NaX 7.559e-03 7.559e-03 1.575e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.124e-02 1.124e-02
Cl 1.055e-02 1.055e-02
K 1.875e-02 1.875e-02
Na 3.038e-03 3.038e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.028 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 3°C) = 1750
Density (g/cm³) = 1.00146
Volume (L) = 1.00061
Viscosity (mPa s) = 1.61015
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.178e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.871e-08
Temperature (°C) = 3.14
Pressure (atm) = 1.00
Electrical balance (eq) = 9.957e-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+ 9.075e-08 8.073e-08 -7.042 -7.093 -0.051 0.00
OH- 2.233e-08 1.935e-08 -7.651 -7.713 -0.062 -5.63
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.124e-02
Br- 1.124e-02 9.706e-03 -1.949 -2.013 -0.064 22.92
Cl 1.055e-02
Cl- 1.055e-02 9.153e-03 -1.977 -2.038 -0.062 16.88
HCl 2.854e-10 2.916e-10 -9.545 -9.535 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.293 -45.290 0.002 28.64
K 1.875e-02
K+ 1.875e-02 1.625e-02 -1.727 -1.789 -0.062 8.07
Na 3.038e-03
Na+ 3.038e-03 2.652e-03 -2.517 -2.576 -0.059 -2.98
O(0) 7.684e-10
O2 3.842e-10 3.861e-10 -9.415 -9.413 0.002 28.01
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(276 K, 1 atm)
H2(g) -42.26 -45.29 -3.03 H2
H2O(g) -2.11 -0.00 2.11 H2O
Halite -6.17 -4.61 1.55 NaCl
O2(g) -6.72 -9.41 -2.69 O2
Sylvite -4.61 -3.83 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 15.
Using exchange 15. Exchange assemblage after simulation 4.
Mixture 15.
0.000e+00 Solution 14 Solution after simulation 4.
1.000e+00 Solution 15 Solution after simulation 4.
0.000e+00 Solution 16 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.205e-02 4.205e-02 8.761e-01 0.000
NaX 5.947e-03 5.947e-03 1.239e-01 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.188e-02 1.188e-02
Cl 9.910e-03 9.910e-03
K 1.941e-02 1.941e-02
Na 2.380e-03 2.380e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.095 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 3°C) = 1729
Density (g/cm³) = 1.00148
Volume (L) = 1.00063
Viscosity (mPa s) = 1.64339
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.179e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.996e-08
Temperature (°C) = 2.51
Pressure (atm) = 1.00
Electrical balance (eq) = 9.955e-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+ 9.072e-08 8.071e-08 -7.042 -7.093 -0.051 0.00
OH- 2.103e-08 1.822e-08 -7.677 -7.739 -0.062 -5.71
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.188e-02
Br- 1.188e-02 1.027e-02 -1.925 -1.989 -0.064 22.84
Cl 9.910e-03
Cl- 9.910e-03 8.601e-03 -2.004 -2.065 -0.062 16.81
HCl 2.691e-10 2.750e-10 -9.570 -9.561 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.423 -45.421 0.002 28.64
K 1.941e-02
K+ 1.941e-02 1.683e-02 -1.712 -1.774 -0.062 8.02
Na 2.380e-03
Na+ 2.380e-03 2.078e-03 -2.623 -2.682 -0.059 -3.05
O(0) 8.135e-10
O2 4.068e-10 4.088e-10 -9.391 -9.388 0.002 27.91
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(275 K, 1 atm)
H2(g) -42.40 -45.42 -3.02 H2
H2O(g) -2.13 -0.00 2.13 H2O
Halite -6.30 -4.75 1.55 NaCl
O2(g) -6.70 -9.39 -2.69 O2
Sylvite -4.62 -3.84 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 16.
Using exchange 16. Exchange assemblage after simulation 4.
Mixture 16.
0.000e+00 Solution 15 Solution after simulation 4.
1.000e+00 Solution 16 Solution after simulation 4.
0.000e+00 Solution 17 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.339e-02 4.339e-02 9.039e-01 0.000
NaX 4.611e-03 4.611e-03 9.606e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.250e-02 1.250e-02
Cl 9.317e-03 9.317e-03
K 1.998e-02 1.998e-02
Na 1.841e-03 1.841e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.151 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 2°C) = 1713
Density (g/cm³) = 1.00150
Volume (L) = 1.00065
Viscosity (mPa s) = 1.67196
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.182e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.097e-08
Temperature (°C) = 1.99
Pressure (atm) = 1.00
Electrical balance (eq) = 9.953e-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+ 9.071e-08 8.071e-08 -7.042 -7.093 -0.051 0.00
OH- 2.000e-08 1.733e-08 -7.699 -7.761 -0.062 -5.78
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.250e-02
Br- 1.250e-02 1.080e-02 -1.903 -1.966 -0.064 22.77
Cl 9.317e-03
Cl- 9.317e-03 8.086e-03 -2.031 -2.092 -0.062 16.76
HCl 2.538e-10 2.593e-10 -9.595 -9.586 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.533 -45.531 0.002 28.64
K 1.998e-02
K+ 1.998e-02 1.733e-02 -1.699 -1.761 -0.062 7.98
Na 1.841e-03
Na+ 1.841e-03 1.607e-03 -2.735 -2.794 -0.059 -3.11
O(0) 8.563e-10
O2 4.282e-10 4.303e-10 -9.368 -9.366 0.002 27.83
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(275 K, 1 atm)
H2(g) -42.51 -45.53 -3.02 H2
H2O(g) -2.15 -0.00 2.15 H2O
Halite -6.44 -4.89 1.55 NaCl
O2(g) -6.68 -9.37 -2.68 O2
Sylvite -4.63 -3.85 0.78 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 17.
Using exchange 17. Exchange assemblage after simulation 4.
Mixture 17.
0.000e+00 Solution 16 Solution after simulation 4.
1.000e+00 Solution 17 Solution after simulation 4.
0.000e+00 Solution 18 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.447e-02 4.447e-02 9.265e-01 0.000
NaX 3.526e-03 3.526e-03 7.346e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.310e-02 1.310e-02
Cl 8.768e-03 8.768e-03
K 2.046e-02 2.046e-02
Na 1.406e-03 1.406e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.198 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 2°C) = 1700
Density (g/cm³) = 1.00151
Volume (L) = 1.00068
Viscosity (mPa s) = 1.69610
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.186e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.177e-08
Temperature (°C) = 1.56
Pressure (atm) = 1.00
Electrical balance (eq) = 9.951e-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+ 9.071e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.918e-08 1.662e-08 -7.717 -7.779 -0.062 -5.83
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.310e-02
Br- 1.310e-02 1.131e-02 -1.883 -1.946 -0.064 22.71
Cl 8.768e-03
Cl- 8.768e-03 7.609e-03 -2.057 -2.119 -0.062 16.71
HCl 2.395e-10 2.447e-10 -9.621 -9.611 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.625 -45.622 0.002 28.64
K 2.046e-02
K+ 2.046e-02 1.774e-02 -1.689 -1.751 -0.062 7.95
Na 1.406e-03
Na+ 1.406e-03 1.228e-03 -2.852 -2.911 -0.059 -3.16
O(0) 8.967e-10
O2 4.484e-10 4.506e-10 -9.348 -9.346 0.002 27.75
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -42.60 -45.62 -3.02 H2
H2O(g) -2.16 -0.00 2.16 H2O
Halite -6.58 -5.03 1.55 NaCl
O2(g) -6.67 -9.35 -2.68 O2
Sylvite -4.64 -3.87 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 18.
Using exchange 18. Exchange assemblage after simulation 4.
Mixture 18.
0.000e+00 Solution 17 Solution after simulation 4.
1.000e+00 Solution 18 Solution after simulation 4.
0.000e+00 Solution 19 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.534e-02 4.534e-02 9.446e-01 0.000
NaX 2.661e-03 2.661e-03 5.543e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.366e-02 1.366e-02
Cl 8.260e-03 8.260e-03
K 2.086e-02 2.086e-02
Na 1.061e-03 1.061e-03
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.237 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1692
Density (g/cm³) = 1.00152
Volume (L) = 1.00070
Viscosity (mPa s) = 1.71615
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.192e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.240e-08
Temperature (°C) = 1.21
Pressure (atm) = 1.00
Electrical balance (eq) = 9.949e-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+ 9.072e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.854e-08 1.606e-08 -7.732 -7.794 -0.062 -5.88
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.366e-02
Br- 1.366e-02 1.180e-02 -1.865 -1.928 -0.064 22.66
Cl 8.260e-03
Cl- 8.260e-03 7.167e-03 -2.083 -2.145 -0.062 16.67
HCl 2.261e-10 2.310e-10 -9.646 -9.636 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.700 -45.698 0.002 28.64
K 2.086e-02
K+ 2.086e-02 1.808e-02 -1.681 -1.743 -0.062 7.93
Na 1.061e-03
Na+ 1.061e-03 9.263e-04 -2.974 -3.033 -0.059 -3.20
O(0) 9.346e-10
O2 4.673e-10 4.696e-10 -9.330 -9.328 0.002 27.70
------------------------------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 -6.73 -5.18 1.55 NaCl
O2(g) -6.66 -9.33 -2.67 O2
Sylvite -4.66 -3.89 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 19.
Using exchange 19. Exchange assemblage after simulation 4.
Mixture 19.
0.000e+00 Solution 18 Solution after simulation 4.
1.000e+00 Solution 19 Solution after simulation 4.
0.000e+00 Solution 20 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.602e-02 4.602e-02 9.587e-01 0.000
NaX 1.982e-03 1.982e-03 4.130e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.419e-02 1.419e-02
Cl 7.792e-03 7.792e-03
K 2.119e-02 2.119e-02
Na 7.913e-04 7.913e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.268 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1686
Density (g/cm³) = 1.00154
Volume (L) = 1.00072
Viscosity (mPa s) = 1.73253
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.198e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.290e-08
Temperature (°C) = 0.93
Pressure (atm) = 1.00
Electrical balance (eq) = 9.948e-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+ 9.072e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.804e-08 1.563e-08 -7.744 -7.806 -0.062 -5.92
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.419e-02
Br- 1.419e-02 1.225e-02 -1.848 -1.912 -0.064 22.62
Cl 7.792e-03
Cl- 7.792e-03 6.761e-03 -2.108 -2.170 -0.062 16.64
HCl 2.136e-10 2.183e-10 -9.670 -9.661 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.762 -45.760 0.002 28.64
K 2.119e-02
K+ 2.119e-02 1.837e-02 -1.674 -1.736 -0.062 7.90
Na 7.913e-04
Na+ 7.913e-04 6.906e-04 -3.102 -3.161 -0.059 -3.23
O(0) 9.698e-10
O2 4.849e-10 4.873e-10 -9.314 -9.312 0.002 27.65
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(274 K, 1 atm)
H2(g) -42.74 -45.76 -3.02 H2
H2O(g) -2.18 -0.00 2.18 H2O
Halite -6.88 -5.33 1.55 NaCl
O2(g) -6.64 -9.31 -2.67 O2
Sylvite -4.68 -3.91 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 20.
Using exchange 20. Exchange assemblage after simulation 4.
Mixture 20.
0.000e+00 Solution 19 Solution after simulation 4.
1.000e+00 Solution 20 Solution after simulation 4.
0.000e+00 Solution 21 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.654e-02 4.654e-02 9.696e-01 0.000
NaX 1.459e-03 1.459e-03 3.040e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.468e-02 1.468e-02
Cl 7.364e-03 7.364e-03
K 2.146e-02 2.146e-02
Na 5.832e-04 5.832e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.294 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1683
Density (g/cm³) = 1.00155
Volume (L) = 1.00074
Viscosity (mPa s) = 1.74572
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.205e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.328e-08
Temperature (°C) = 0.70
Pressure (atm) = 1.00
Electrical balance (eq) = 9.947e-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+ 9.073e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.765e-08 1.529e-08 -7.753 -7.816 -0.062 -5.95
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
Br 1.468e-02
Br- 1.468e-02 1.268e-02 -1.833 -1.897 -0.064 22.59
Cl 7.364e-03
Cl- 7.364e-03 6.389e-03 -2.133 -2.195 -0.062 16.61
HCl 2.021e-10 2.065e-10 -9.694 -9.685 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.812 -45.810 0.002 28.64
K 2.146e-02
K+ 2.146e-02 1.860e-02 -1.668 -1.730 -0.062 7.89
Na 5.832e-04
Na+ 5.832e-04 5.089e-04 -3.234 -3.293 -0.059 -3.26
O(0) 1.002e-09
O2 5.012e-10 5.037e-10 -9.300 -9.298 0.002 27.61
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.80 -45.81 -3.01 H2
H2O(g) -2.19 -0.00 2.19 H2O
Halite -7.04 -5.49 1.55 NaCl
O2(g) -6.63 -9.30 -2.67 O2
Sylvite -4.69 -3.92 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 21.
Using exchange 21. Exchange assemblage after simulation 4.
Mixture 21.
0.000e+00 Solution 20 Solution after simulation 4.
1.000e+00 Solution 21 Solution after simulation 4.
0.000e+00 Solution 22 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.694e-02 4.694e-02 9.779e-01 0.000
NaX 1.061e-03 1.061e-03 2.211e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.514e-02 1.514e-02
Cl 6.976e-03 6.976e-03
K 2.169e-02 2.169e-02
Na 4.250e-04 4.250e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.314 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 1°C) = 1681
Density (g/cm³) = 1.00156
Volume (L) = 1.00075
Viscosity (mPa s) = 1.75616
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.211e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.357e-08
Temperature (°C) = 0.53
Pressure (atm) = 1.00
Electrical balance (eq) = 9.946e-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+ 9.074e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.736e-08 1.503e-08 -7.761 -7.823 -0.062 -5.98
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.514e-02
Br- 1.514e-02 1.307e-02 -1.820 -1.884 -0.064 22.56
Cl 6.976e-03
Cl- 6.976e-03 6.051e-03 -2.156 -2.218 -0.062 16.59
HCl 1.916e-10 1.958e-10 -9.718 -9.708 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.852 -45.850 0.002 28.64
K 2.169e-02
K+ 2.169e-02 1.880e-02 -1.664 -1.726 -0.062 7.87
Na 4.250e-04
Na+ 4.250e-04 3.708e-04 -3.372 -3.431 -0.059 -3.28
O(0) 1.032e-09
O2 5.160e-10 5.187e-10 -9.287 -9.285 0.002 27.58
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.84 -45.85 -3.01 H2
H2O(g) -2.19 -0.00 2.19 H2O
Halite -7.20 -5.65 1.55 NaCl
O2(g) -6.62 -9.29 -2.66 O2
Sylvite -4.71 -3.94 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 22.
Using exchange 22. Exchange assemblage after simulation 4.
Mixture 22.
0.000e+00 Solution 21 Solution after simulation 4.
1.000e+00 Solution 22 Solution after simulation 4.
0.000e+00 Solution 23 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.724e-02 4.724e-02 9.841e-01 0.000
NaX 7.634e-04 7.634e-04 1.590e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.555e-02 1.555e-02
Cl 6.626e-03 6.626e-03
K 2.187e-02 2.187e-02
Na 3.063e-04 3.063e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.330 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1681
Density (g/cm³) = 1.00157
Volume (L) = 1.00077
Viscosity (mPa s) = 1.76432
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.218e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.380e-08
Temperature (°C) = 0.39
Pressure (atm) = 1.00
Electrical balance (eq) = 9.946e-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+ 9.074e-08 8.070e-08 -7.042 -7.093 -0.051 0.00
OH- 1.713e-08 1.483e-08 -7.766 -7.829 -0.063 -6.00
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.555e-02
Br- 1.555e-02 1.343e-02 -1.808 -1.872 -0.064 22.54
Cl 6.626e-03
Cl- 6.626e-03 5.746e-03 -2.179 -2.241 -0.062 16.58
HCl 1.821e-10 1.861e-10 -9.740 -9.730 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.883 -45.881 0.002 28.64
K 2.187e-02
K+ 2.187e-02 1.895e-02 -1.660 -1.722 -0.062 7.86
Na 3.063e-04
Na+ 3.063e-04 2.672e-04 -3.514 -3.573 -0.059 -3.30
O(0) 1.059e-09
O2 5.295e-10 5.322e-10 -9.276 -9.274 0.002 27.56
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.87 -45.88 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -7.36 -5.81 1.55 NaCl
O2(g) -6.61 -9.27 -2.66 O2
Sylvite -4.73 -3.96 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 23.
Using exchange 23. Exchange assemblage after simulation 4.
Mixture 23.
0.000e+00 Solution 22 Solution after simulation 4.
1.000e+00 Solution 23 Solution after simulation 4.
0.000e+00 Solution 24 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.746e-02 4.746e-02 9.887e-01 0.000
NaX 5.434e-04 5.434e-04 1.132e-02 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.593e-02 1.593e-02
Cl 6.314e-03 6.314e-03
K 2.202e-02 2.202e-02
Na 2.185e-04 2.185e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.343 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1682
Density (g/cm³) = 1.00158
Volume (L) = 1.00078
Viscosity (mPa s) = 1.77059
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.224e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.396e-08
Temperature (°C) = 0.29
Pressure (atm) = 1.00
Electrical balance (eq) = 9.945e-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+ 9.075e-08 8.069e-08 -7.042 -7.093 -0.051 0.00
OH- 1.696e-08 1.468e-08 -7.771 -7.833 -0.063 -6.01
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.593e-02
Br- 1.593e-02 1.375e-02 -1.798 -1.862 -0.064 22.53
Cl 6.314e-03
Cl- 6.314e-03 5.475e-03 -2.200 -2.262 -0.062 16.56
HCl 1.736e-10 1.774e-10 -9.760 -9.751 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.908 -45.906 0.002 28.64
K 2.202e-02
K+ 2.202e-02 1.908e-02 -1.657 -1.719 -0.062 7.86
Na 2.185e-04
Na+ 2.185e-04 1.906e-04 -3.661 -3.720 -0.059 -3.31
O(0) 1.083e-09
O2 5.416e-10 5.443e-10 -9.266 -9.264 0.002 27.54
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.89 -45.91 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -7.53 -5.98 1.55 NaCl
O2(g) -6.60 -9.26 -2.66 O2
Sylvite -4.75 -3.98 0.77 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 24.
Using exchange 24. Exchange assemblage after simulation 4.
Mixture 24.
0.000e+00 Solution 23 Solution after simulation 4.
1.000e+00 Solution 24 Solution after simulation 4.
0.000e+00 Solution 25 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.762e-02 4.762e-02 9.920e-01 0.000
NaX 3.832e-04 3.832e-04 7.982e-03 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.626e-02 1.626e-02
Cl 6.041e-03 6.041e-03
K 2.215e-02 2.215e-02
Na 1.544e-04 1.544e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.353 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1683
Density (g/cm³) = 1.00160
Volume (L) = 1.00079
Viscosity (mPa s) = 1.77534
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.230e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.409e-08
Temperature (°C) = 0.21
Pressure (atm) = 1.00
Electrical balance (eq) = 9.945e-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+ 9.075e-08 8.069e-08 -7.042 -7.093 -0.051 0.00
OH- 1.683e-08 1.457e-08 -7.774 -7.837 -0.063 -6.03
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.626e-02
Br- 1.626e-02 1.403e-02 -1.789 -1.853 -0.064 22.52
Cl 6.041e-03
Cl- 6.041e-03 5.238e-03 -2.219 -2.281 -0.062 16.55
HCl 1.662e-10 1.698e-10 -9.779 -9.770 0.009 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.927 -45.925 0.002 28.65
K 2.215e-02
K+ 2.215e-02 1.918e-02 -1.655 -1.717 -0.062 7.85
Na 1.544e-04
Na+ 1.544e-04 1.346e-04 -3.811 -3.871 -0.059 -3.32
O(0) 1.104e-09
O2 5.521e-10 5.550e-10 -9.258 -9.256 0.002 27.53
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.91 -45.93 -3.01 H2
H2O(g) -2.20 -0.00 2.20 H2O
Halite -7.70 -6.15 1.55 NaCl
O2(g) -6.59 -9.26 -2.66 O2
Sylvite -4.76 -4.00 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 25.
Using exchange 25. Exchange assemblage after simulation 4.
Mixture 25.
0.000e+00 Solution 24 Solution after simulation 4.
1.000e+00 Solution 25 Solution after simulation 4.
0.000e+00 Solution 26 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.773e-02 4.773e-02 9.944e-01 0.000
NaX 2.681e-04 2.681e-04 5.586e-03 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.655e-02 1.655e-02
Cl 5.807e-03 5.807e-03
K 2.224e-02 2.224e-02
Na 1.082e-04 1.082e-04
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.360 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1685
Density (g/cm³) = 1.00161
Volume (L) = 1.00079
Viscosity (mPa s) = 1.77888
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.235e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.418e-08
Temperature (°C) = 0.15
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.076e-08 8.069e-08 -7.042 -7.093 -0.051 0.00
OH- 1.674e-08 1.449e-08 -7.776 -7.839 -0.063 -6.03
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.655e-02
Br- 1.655e-02 1.428e-02 -1.781 -1.845 -0.064 22.51
Cl 5.807e-03
Cl- 5.807e-03 5.034e-03 -2.236 -2.298 -0.062 16.55
HCl 1.597e-10 1.633e-10 -9.797 -9.787 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.942 -45.940 0.002 28.65
K 2.224e-02
K+ 2.224e-02 1.927e-02 -1.653 -1.715 -0.062 7.85
Na 1.082e-04
Na+ 1.082e-04 9.439e-05 -3.966 -4.025 -0.059 -3.33
O(0) 1.122e-09
O2 5.612e-10 5.641e-10 -9.251 -9.249 0.002 27.51
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.93 -45.94 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -7.87 -6.32 1.55 NaCl
O2(g) -6.59 -9.25 -2.66 O2
Sylvite -4.78 -4.01 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 26.
Using exchange 26. Exchange assemblage after simulation 4.
Mixture 26.
0.000e+00 Solution 25 Solution after simulation 4.
1.000e+00 Solution 26 Solution after simulation 4.
0.000e+00 Solution 27 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.781e-02 4.781e-02 9.961e-01 0.000
NaX 1.870e-04 1.870e-04 3.896e-03 -0.059
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.679e-02 1.679e-02
Cl 5.612e-03 5.612e-03
K 2.232e-02 2.232e-02
Na 7.562e-05 7.562e-05
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.366 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1687
Density (g/cm³) = 1.00162
Volume (L) = 1.00080
Viscosity (mPa s) = 1.78146
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.240e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.425e-08
Temperature (°C) = 0.11
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.076e-08 8.069e-08 -7.042 -7.093 -0.051 0.00
OH- 1.667e-08 1.443e-08 -7.778 -7.841 -0.063 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.679e-02
Br- 1.679e-02 1.448e-02 -1.775 -1.839 -0.064 22.50
Cl 5.612e-03
Cl- 5.612e-03 4.864e-03 -2.251 -2.313 -0.062 16.54
HCl 1.544e-10 1.578e-10 -9.811 -9.802 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.953 -45.951 0.002 28.65
K 2.232e-02
K+ 2.232e-02 1.933e-02 -1.651 -1.714 -0.062 7.84
Na 7.562e-05
Na+ 7.562e-05 6.594e-05 -4.121 -4.181 -0.059 -3.33
O(0) 1.138e-09
O2 5.689e-10 5.718e-10 -9.245 -9.243 0.002 27.51
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.94 -45.95 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -8.04 -6.49 1.55 NaCl
O2(g) -6.58 -9.24 -2.66 O2
Sylvite -4.79 -4.03 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 27.
Using exchange 27. Exchange assemblage after simulation 4.
Mixture 27.
0.000e+00 Solution 26 Solution after simulation 4.
1.000e+00 Solution 27 Solution after simulation 4.
0.000e+00 Solution 28 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.787e-02 4.787e-02 9.973e-01 0.000
NaX 1.312e-04 1.312e-04 2.734e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.698e-02 1.698e-02
Cl 5.455e-03 5.455e-03
K 2.238e-02 2.238e-02
Na 5.313e-05 5.313e-05
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.370 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1688
Density (g/cm³) = 1.00162
Volume (L) = 1.00080
Viscosity (mPa s) = 1.78330
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.244e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.429e-08
Temperature (°C) = 0.08
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.077e-08 8.068e-08 -7.042 -7.093 -0.051 0.00
OH- 1.662e-08 1.438e-08 -7.779 -7.842 -0.063 -6.04
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.698e-02
Br- 1.698e-02 1.465e-02 -1.770 -1.834 -0.064 22.50
Cl 5.455e-03
Cl- 5.455e-03 4.728e-03 -2.263 -2.325 -0.062 16.54
HCl 1.501e-10 1.534e-10 -9.824 -9.814 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.961 -45.959 0.002 28.65
K 2.238e-02
K+ 2.238e-02 1.938e-02 -1.650 -1.713 -0.062 7.84
Na 5.313e-05
Na+ 5.313e-05 4.632e-05 -4.275 -4.334 -0.060 -3.34
O(0) 1.150e-09
O2 5.750e-10 5.779e-10 -9.240 -9.238 0.002 27.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.95 -45.96 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -8.21 -6.66 1.55 NaCl
O2(g) -6.58 -9.24 -2.66 O2
Sylvite -4.80 -4.04 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 28.
Using exchange 28. Exchange assemblage after simulation 4.
Mixture 28.
0.000e+00 Solution 27 Solution after simulation 4.
1.000e+00 Solution 28 Solution after simulation 4.
0.000e+00 Solution 29 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.791e-02 4.791e-02 9.980e-01 0.000
NaX 9.436e-05 9.436e-05 1.966e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.713e-02 1.713e-02
Cl 5.337e-03 5.337e-03
K 2.243e-02 2.243e-02
Na 3.825e-05 3.825e-05
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.373 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1689
Density (g/cm³) = 1.00163
Volume (L) = 1.00081
Viscosity (mPa s) = 1.78454
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.246e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.433e-08
Temperature (°C) = 0.06
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.077e-08 8.068e-08 -7.042 -7.093 -0.051 0.00
OH- 1.659e-08 1.435e-08 -7.780 -7.843 -0.063 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.713e-02
Br- 1.713e-02 1.477e-02 -1.766 -1.831 -0.064 22.49
Cl 5.337e-03
Cl- 5.337e-03 4.626e-03 -2.273 -2.335 -0.062 16.54
HCl 1.468e-10 1.501e-10 -9.833 -9.824 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.967 -45.965 0.002 28.65
K 2.243e-02
K+ 2.243e-02 1.942e-02 -1.649 -1.712 -0.063 7.84
Na 3.825e-05
Na+ 3.825e-05 3.335e-05 -4.417 -4.477 -0.060 -3.34
O(0) 1.159e-09
O2 5.795e-10 5.826e-10 -9.237 -9.235 0.002 27.50
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(273 K, 1 atm)
H2(g) -42.95 -45.96 -3.01 H2
H2O(g) -2.21 -0.00 2.21 H2O
Halite -8.36 -6.81 1.55 NaCl
O2(g) -6.58 -9.23 -2.66 O2
Sylvite -4.81 -4.05 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 29.
Using exchange 29. Exchange assemblage after simulation 4.
Mixture 29.
0.000e+00 Solution 28 Solution after simulation 4.
1.000e+00 Solution 29 Solution after simulation 4.
0.000e+00 Solution 30 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.793e-02 4.793e-02 9.985e-01 0.000
NaX 7.208e-05 7.208e-05 1.502e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.722e-02 1.722e-02
Cl 5.259e-03 5.259e-03
K 2.245e-02 2.245e-02
Na 2.924e-05 2.924e-05
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.375 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1690
Density (g/cm³) = 1.00163
Volume (L) = 1.00081
Viscosity (mPa s) = 1.78531
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.248e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.435e-08
Temperature (°C) = 0.05
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.077e-08 8.068e-08 -7.042 -7.093 -0.051 0.00
OH- 1.657e-08 1.434e-08 -7.781 -7.844 -0.063 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.722e-02
Br- 1.722e-02 1.486e-02 -1.764 -1.828 -0.064 22.49
Cl 5.259e-03
Cl- 5.259e-03 4.558e-03 -2.279 -2.341 -0.062 16.54
HCl 1.447e-10 1.479e-10 -9.840 -9.830 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.971 -45.968 0.002 28.65
K 2.245e-02
K+ 2.245e-02 1.944e-02 -1.649 -1.711 -0.063 7.84
Na 2.924e-05
Na+ 2.924e-05 2.549e-05 -4.534 -4.594 -0.060 -3.34
O(0) 1.165e-09
O2 5.826e-10 5.856e-10 -9.235 -9.232 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 -8.48 -6.93 1.55 NaCl
O2(g) -6.57 -9.23 -2.66 O2
Sylvite -4.82 -4.05 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Using mix 30.
Using exchange 30. Exchange assemblage after simulation 4.
Mixture 30.
0.000e+00 Solution 29 Solution after simulation 4.
1.000e+00 Solution 30 Solution after simulation 4.
0.000e+00 Solution 31 Solution after simulation 4.
-----------------------------Exchange composition------------------------------
X 4.800e-02 mol
Equiv- Equivalent Log
Species Moles alents Fraction Gamma
KX 4.794e-02 4.794e-02 9.987e-01 0.000
NaX 6.161e-05 6.161e-05 1.284e-03 -0.060
-----------------------------Solution composition------------------------------
Elements Molality Moles
Br 1.727e-02 1.727e-02
Cl 5.220e-03 5.220e-03
K 2.247e-02 2.247e-02
Na 2.500e-05 2.500e-05
----------------------------Description of solution----------------------------
pH = 7.093 Charge balance
pe = 14.376 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 0°C) = 1691
Density (g/cm³) = 1.00163
Volume (L) = 1.00081
Viscosity (mPa s) = 1.78567
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.249e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.436e-08
Temperature (°C) = 0.04
Pressure (atm) = 1.00
Electrical balance (eq) = 9.944e-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+ 9.077e-08 8.068e-08 -7.042 -7.093 -0.051 0.00
OH- 1.656e-08 1.433e-08 -7.781 -7.844 -0.063 -6.05
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
Br 1.727e-02
Br- 1.727e-02 1.490e-02 -1.763 -1.827 -0.064 22.49
Cl 5.220e-03
Cl- 5.220e-03 4.523e-03 -2.282 -2.345 -0.062 16.53
HCl 1.436e-10 1.468e-10 -9.843 -9.833 0.010 (0)
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -45.972 -45.970 0.002 28.65
K 2.247e-02
K+ 2.247e-02 1.945e-02 -1.648 -1.711 -0.063 7.84
Na 2.500e-05
Na+ 2.500e-05 2.180e-05 -4.602 -4.662 -0.060 -3.34
O(0) 1.168e-09
O2 5.841e-10 5.872e-10 -9.233 -9.231 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 -8.55 -7.01 1.55 NaCl
O2(g) -6.57 -9.23 -2.66 O2
Sylvite -4.82 -4.06 0.76 KCl
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
WARNING:
For balancing negative concentrations in MCD, added in total to the system:
WARNING: 6.3961e-12 moles Na.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
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