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4a6ad41a [phreeqc3] Updated outputs for 3.8.3 91b76cb4 Tony's changes for viscosity and heat in transport. ex13_impl failed in Release. git-subtree-dir: phreeqc3-examples git-subtree-split: 4a6ad41ab22a95803c115b7464ae27664f1ba9db
5235 lines
224 KiB
Plaintext
5235 lines
224 KiB
Plaintext
Input file: ex12b
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Output file: ex12b.out
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Database file: ../database/phreeqc.dat
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------------------
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Reading data base.
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------------------
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SOLUTION_MASTER_SPECIES
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SOLUTION_SPECIES
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PHASES
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EXCHANGE_MASTER_SPECIES
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EXCHANGE_SPECIES
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SURFACE_MASTER_SPECIES
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SURFACE_SPECIES
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MEAN_GAMMAS
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RATES
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END
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------------------------------------
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Reading input data for simulation 1.
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------------------------------------
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DATABASE ../database/phreeqc.dat
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TITLE Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes.
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Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases.
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SOLUTION 0 Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
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temp 24
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Na 24
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Cl 24
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SOLUTION 1-31 24 mM KBr, initial temp 0C
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temp 0
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K 24
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Br 24
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EXCHANGE_SPECIES
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K+ + X- = KX
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EXCHANGE 1-31
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KX 0.048
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END
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-----
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TITLE
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-----
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Example 12b.--Compare traditional and multicomponent diffusive transport of heat and solutes.
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Multicomponent diffusion coefficients decrease with the viscosity of the solution, changing more as temperature decreases.
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-------------------------------------------
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Beginning of initial solution calculations.
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-------------------------------------------
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Initial solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Cl 2.400e-02 2.400e-02
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Na 2.400e-02 2.400e-02
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----------------------------Description of solution----------------------------
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pH = 7.000
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pe = 4.000
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Specific Conductance (µS/cm, 24°C) = 2687
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Density (g/cm³) = 0.99829
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Volume (L) = 1.00312
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Viscosity (mPa s) = 0.91317
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -4.679e-09
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Temperature (°C) = 24.00
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Electrical balance (eq) = 4.679e-09
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 4
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Total H = 1.110124e+02
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Total O = 5.550622e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
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OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
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H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
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Cl 2.400e-02
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Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
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HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
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H(0) 1.422e-25
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H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
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Na 2.400e-02
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Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
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O(0) 0.000e+00
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O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(297 K, 1 atm)
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H2(g) -22.05 -25.15 -3.10 H2
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H2O(g) -1.53 -0.00 1.53 H2O
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Halite -4.94 -3.37 1.57 NaCl
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O2(g) -39.53 -42.41 -2.89 O2
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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Initial solution 1. 24 mM KBr, initial temp 0C
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Br 2.400e-02 2.400e-02
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K 2.400e-02 2.400e-02
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----------------------------Description of solution----------------------------
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pH = 7.000
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pe = 4.000
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Specific Conductance (µS/cm, 0°C) = 1805
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Density (g/cm³) = 1.00197
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Volume (L) = 1.00089
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Viscosity (mPa s) = 1.78740
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -9.945e-08
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Temperature (°C) = 0.00
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Electrical balance (eq) = 9.945e-08
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 4 (8 overall)
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Total H = 1.110124e+02
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Total O = 5.550622e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
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OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
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H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
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Br 2.400e-02
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Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
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H(0) 1.848e-25
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H2 9.239e-26 9.290e-26 -25.034 -25.032 0.002 28.65
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K 2.400e-02
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K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
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O(0) 0.000e+00
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O2 0.000e+00 0.000e+00 -51.126 -51.123 0.002 27.49
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(273 K, 1 atm)
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H2(g) -22.02 -25.03 -3.01 H2
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H2O(g) -2.21 -0.00 2.21 H2O
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O2(g) -48.46 -51.12 -2.66 O2
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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-----------------------------------------
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Beginning of batch-reaction calculations.
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-----------------------------------------
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Reaction step 1.
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Using solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
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Using exchange 1.
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-----------------------------Exchange composition------------------------------
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X 4.800e-02 mol
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Equiv- Equivalent Log
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Species Moles alents Fraction Gamma
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KX 3.146e-02 3.146e-02 6.554e-01 0.000
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NaX 1.654e-02 1.654e-02 3.446e-01 -0.063
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Cl 2.400e-02 2.400e-02
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K 1.654e-02 1.654e-02
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Na 7.460e-03 7.460e-03
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----------------------------Description of solution----------------------------
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pH = 7.000 Charge balance
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pe = -1.000 Adjusted to redox equilibrium
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Specific Conductance (µS/cm, 24°C) = 3061
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Density (g/cm³) = 0.99839
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Volume (L) = 1.00329
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Viscosity (mPa s) = 0.91170
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -4.679e-09
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Temperature (°C) = 24.00
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Electrical balance (eq) = 4.679e-09
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 12
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Total H = 1.110124e+02
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Total O = 5.550622e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
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OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
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H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
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Cl 2.400e-02
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Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
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HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
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H(0) 1.422e-15
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H2 7.109e-16 7.148e-16 -15.148 -15.146 0.002 28.61
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K 1.654e-02
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K+ 1.654e-02 1.419e-02 -1.781 -1.848 -0.067 9.08
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Na 7.460e-03
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Na+ 7.460e-03 6.447e-03 -2.127 -2.191 -0.063 -1.36
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O(0) 0.000e+00
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O2 0.000e+00 0.000e+00 -62.415 -62.413 0.002 30.32
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(297 K, 1 atm)
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H2(g) -12.05 -15.15 -3.10 H2
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H2O(g) -1.53 -0.00 1.53 H2O
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Halite -5.45 -3.88 1.57 NaCl
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O2(g) -59.53 -62.41 -2.89 O2
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Sylvite -4.43 -3.53 0.89 KCl
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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------------------
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End of simulation.
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------------------
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------------------------------------
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Reading input data for simulation 2.
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------------------------------------
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TRANSPORT
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cells 10
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lengths 0.3333333
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shifts 1
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flow_direction diffusion
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boundary_conditions constant closed
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thermal_diffusion 3.0 # heat is retarded equal to Na
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diffusion_coefficient 0.3e-9 # m^2/s
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time_step 1.0e+9 1 # max_mixf = 2/9 = Dt_max * De / Dx^2. Dt_max = 8.2140e+07 seconds, Number of mixes = 1e10 / 8.214e7 = 122
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USER_GRAPH 1 Example 12b
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WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10.
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WARNING: No dispersivities were read; disp = 0 assumed.
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-headings Tradit:Na Cl TC Analyt
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-chart_title "Compare traditional and multicomponent diffusive transport"
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-axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS"
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-initial_solutions false
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-plot_concentration_vs x
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-axis_scale sy_axis 0
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-start
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10 x = DIST
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20 PLOT_XY x, TOT("Na")*1000, symbol = Plus
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30 PLOT_XY x, TOT("Cl")*1000, symbol = Plus
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40 PLOT_XY x, TC, symbol = XCross, y-axis 2 : print tc, diff_c("Cl-")
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50 if (x > 10 OR SIM_TIME <= 0) THEN END
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60 DATA 0.254829592, -0.284496736, 1.421413741, -1.453152027, 1.061405429, 0.3275911
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70 READ a1, a2, a3, a4, a5, a6
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80 z = x / (2 * SQRT(3e-10 * SIM_TIME / 1.0))
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90 GOSUB 2000
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100 PLOT_XY x, 24 * erfc, color = Green, symbol = Square, symbol_size = 8, line_width = 0
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110 z = z * SQRT(3.0)
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120 GOSUB 2000
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130 PLOT_XY x, 24 * erfc, color = Blue, symbol = Square, symbol_size = 8, line_width = 0
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140 END
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2000 REM calculate erfc...
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2050 b = 1 / (1 + a6 * z)
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2060 erfc = b * (a1 + b * (a2 + b * (a3 + b * (a4 + b * a5)))) * EXP(-(z * z))
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2080 RETURN
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-end
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END
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------------------------------------
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Beginning of transport calculations.
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------------------------------------
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-------------------------------
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Equilibrating initial solutions
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-------------------------------
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Using solution 0. Fixed temp 24C, and NaCl conc (first type boundary cond) at inlet
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Cl 2.400e-02 2.400e-02
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Na 2.400e-02 2.400e-02
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----------------------------Description of solution----------------------------
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pH = 7.000 Charge balance
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pe = 4.000 Adjusted to redox equilibrium
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Specific Conductance (µS/cm, 24°C) = 2687
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Density (g/cm³) = 0.99829
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Volume (L) = 1.00312
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Viscosity (mPa s) = 0.91317
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -4.679e-09
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Temperature (°C) = 24.00
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Electrical balance (eq) = 4.679e-09
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 0
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Total H = 1.110124e+02
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Total O = 5.550622e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
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OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
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H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
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Cl 2.400e-02
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Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
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HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
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H(0) 1.422e-25
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H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
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Na 2.400e-02
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Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
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O(0) 0.000e+00
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O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(297 K, 1 atm)
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H2(g) -22.05 -25.15 -3.10 H2
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H2O(g) -1.53 -0.00 1.53 H2O
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Halite -4.94 -3.37 1.57 NaCl
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O2(g) -39.53 -42.41 -2.89 O2
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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Using solution 1. 24 mM KBr, initial temp 0C
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Using exchange 1.
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-----------------------------Exchange composition------------------------------
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X 4.800e-02 mol
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Equiv- Equivalent Log
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Species Moles alents Fraction Gamma
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KX 4.800e-02 4.800e-02 1.000e+00 -0.000
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Br 2.400e-02 2.400e-02
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K 2.400e-02 2.400e-02
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----------------------------Description of solution----------------------------
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pH = 7.000 Charge balance
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pe = 12.957 Adjusted to redox equilibrium
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Specific Conductance (µS/cm, 0°C) = 1805
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Density (g/cm³) = 1.00197
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Volume (L) = 1.00089
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Viscosity (mPa s) = 1.78740
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -9.945e-08
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Temperature (°C) = 0.00
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Electrical balance (eq) = 9.945e-08
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 13
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Total H = 1.110124e+02
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Total O = 5.550622e+01
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
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OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
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H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
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Br 2.400e-02
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Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
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K 2.400e-02
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K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
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O(0) 1.011e-15
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O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
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------------------------------Saturation indices-------------------------------
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Phase SI** log IAP log K(273 K, 1 atm)
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H2(g) -39.94 -42.95 -3.01 H2
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H2O(g) -2.21 -0.00 2.21 H2O
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O2(g) -12.64 -15.29 -2.66 O2
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**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
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For ideal gases, phi = 1.
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Using solution 2. 24 mM KBr, initial temp 0C
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Using exchange 2.
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-----------------------------Exchange composition------------------------------
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X 4.800e-02 mol
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Equiv- Equivalent Log
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Species Moles alents Fraction Gamma
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KX 4.800e-02 4.800e-02 1.000e+00 -0.000
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-----------------------------Solution composition------------------------------
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Elements Molality Moles
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Br 2.400e-02 2.400e-02
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K 2.400e-02 2.400e-02
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----------------------------Description of solution----------------------------
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pH = 7.000 Charge balance
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pe = 12.957 Adjusted to redox equilibrium
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Specific Conductance (µS/cm, 0°C) = 1805
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Density (g/cm³) = 1.00197
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Volume (L) = 1.00089
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Viscosity (mPa s) = 1.78740
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Activity of water = 0.999
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Ionic strength (mol/kgw) = 2.400e-02
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -9.945e-08
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Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (26 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 3. 24 mM KBr, initial temp 0C
|
|
Using exchange 3.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (39 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 4. 24 mM KBr, initial temp 0C
|
|
Using exchange 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (52 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 5. 24 mM KBr, initial temp 0C
|
|
Using exchange 5.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (65 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 6. 24 mM KBr, initial temp 0C
|
|
Using exchange 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (78 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 7. 24 mM KBr, initial temp 0C
|
|
Using exchange 7.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (91 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 8. 24 mM KBr, initial temp 0C
|
|
Using exchange 8.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (104 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 9. 24 mM KBr, initial temp 0C
|
|
Using exchange 9.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (117 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 10. 24 mM KBr, initial temp 0C
|
|
Using exchange 10.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (130 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
WARNING:
|
|
Calculating transport: 10 (mobile) cells, 1 shifts, 13 mixruns...
|
|
|
|
|
|
Transport step 1. Mixrun 1.
|
|
|
|
Transport step 1. Mixrun 2.
|
|
|
|
Transport step 1. Mixrun 3.
|
|
|
|
Transport step 1. Mixrun 4.
|
|
|
|
Transport step 1. Mixrun 5.
|
|
|
|
Transport step 1. Mixrun 6.
|
|
|
|
Transport step 1. Mixrun 7.
|
|
|
|
Transport step 1. Mixrun 8.
|
|
|
|
Transport step 1. Mixrun 9.
|
|
|
|
Transport step 1. Mixrun 10.
|
|
|
|
Transport step 1. Mixrun 11.
|
|
|
|
Transport step 1. Mixrun 12.
|
|
|
|
Transport step 1. Mixrun 13.
|
|
|
|
Using solution 0. Solution after simulation 2.
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Cl 2.400e-02 2.400e-02
|
|
Na 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 4.000 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 24°C) = 2687
|
|
Density (g/cm³) = 0.99829
|
|
Volume (L) = 1.00312
|
|
Viscosity (mPa s) = 0.91317
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.679e-09
|
|
Temperature (°C) = 24.00
|
|
Electrical balance (eq) = 4.679e-09
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 0
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
|
|
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
|
|
Cl 2.400e-02
|
|
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
|
|
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
|
|
H(0) 1.422e-25
|
|
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
|
|
Na 2.400e-02
|
|
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
|
|
O(0) 0.000e+00
|
|
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(297 K, 1 atm)
|
|
|
|
H2(g) -22.05 -25.15 -3.10 H2
|
|
H2O(g) -1.53 -0.00 1.53 H2O
|
|
Halite -4.94 -3.37 1.57 NaCl
|
|
O2(g) -39.53 -42.41 -2.89 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 1.
|
|
Using exchange 1. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 1.
|
|
|
|
4.154e-01 Solution 0 Solution after simulation 2.
|
|
3.769e-01 Solution 1 Solution after simulation 2.
|
|
2.077e-01 Solution 2 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
NaX 3.418e-02 3.418e-02 7.121e-01 -0.063
|
|
KX 1.382e-02 1.382e-02 2.879e-01 0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 4.098e-03 4.098e-03
|
|
Cl 1.990e-02 1.990e-02
|
|
K 7.678e-03 7.678e-03
|
|
Na 1.632e-02 1.632e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.086 Charge balance
|
|
pe = 12.300 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 16°C) = 2435
|
|
Density (g/cm³) = 1.00009
|
|
Volume (L) = 1.00162
|
|
Viscosity (mPa s) = 1.09808
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -2.086e-08
|
|
Temperature (°C) = 16.41
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 2.086e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 9
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.278e-08 8.203e-08 -7.033 -7.086 -0.053 0.00
|
|
OH- 7.242e-08 6.218e-08 -7.140 -7.206 -0.066 -4.40
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
|
|
Br 4.098e-03
|
|
Br- 4.098e-03 3.507e-03 -2.387 -2.455 -0.068 24.19
|
|
Cl 1.990e-02
|
|
Cl- 1.990e-02 1.712e-02 -1.701 -1.766 -0.065 17.86
|
|
HCl 4.984e-10 5.103e-10 -9.302 -9.292 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -41.887 -41.885 0.002 28.62
|
|
K 7.678e-03
|
|
K+ 7.678e-03 6.599e-03 -2.115 -2.181 -0.066 8.79
|
|
Na 1.632e-02
|
|
Na+ 1.632e-02 1.413e-02 -1.787 -1.850 -0.063 -1.81
|
|
O(0) 6.791e-12
|
|
O2 3.395e-12 3.414e-12 -11.469 -11.467 0.002 29.65
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(289 K, 1 atm)
|
|
|
|
H2(g) -38.81 -41.88 -3.08 H2
|
|
H2O(g) -1.73 -0.00 1.73 H2O
|
|
Halite -5.18 -3.62 1.56 NaCl
|
|
O2(g) -8.64 -11.47 -2.82 O2
|
|
Sylvite -4.80 -3.95 0.86 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 2.
|
|
Using exchange 2. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 2.
|
|
|
|
2.077e-01 Solution 1 Solution after simulation 2.
|
|
5.846e-01 Solution 2 Solution after simulation 2.
|
|
2.077e-01 Solution 3 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 3.576e-02 3.576e-02 7.450e-01 0.000
|
|
NaX 1.224e-02 1.224e-02 2.550e-01 -0.062
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.158e-02 1.158e-02
|
|
Cl 1.242e-02 1.242e-02
|
|
K 1.854e-02 1.854e-02
|
|
Na 5.464e-03 5.464e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.138 Charge balance
|
|
pe = 13.226 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 6°C) = 2040
|
|
Density (g/cm³) = 1.00154
|
|
Volume (L) = 1.00067
|
|
Viscosity (mPa s) = 1.47979
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -5.042e-08
|
|
Temperature (°C) = 5.80
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 5.042e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 8.216e-08 7.276e-08 -7.085 -7.138 -0.053 0.00
|
|
OH- 3.204e-08 2.757e-08 -7.494 -7.560 -0.065 -5.30
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.158e-02
|
|
Br- 1.158e-02 9.936e-03 -1.936 -2.003 -0.067 23.24
|
|
Cl 1.242e-02
|
|
Cl- 1.242e-02 1.071e-02 -1.906 -1.970 -0.064 17.14
|
|
HCl 2.953e-10 3.023e-10 -9.530 -9.520 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -43.792 -43.790 0.002 28.63
|
|
K 1.854e-02
|
|
K+ 1.854e-02 1.597e-02 -1.732 -1.797 -0.065 8.25
|
|
Na 5.464e-03
|
|
Na+ 5.464e-03 4.742e-03 -2.262 -2.324 -0.062 -2.69
|
|
O(0) 7.479e-12
|
|
O2 3.739e-12 3.760e-12 -11.427 -11.425 0.002 28.40
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(278 K, 1 atm)
|
|
|
|
H2(g) -40.75 -43.79 -3.04 H2
|
|
H2O(g) -2.03 -0.00 2.03 H2O
|
|
Halite -5.85 -4.29 1.55 NaCl
|
|
O2(g) -8.70 -11.42 -2.72 O2
|
|
Sylvite -4.56 -3.77 0.80 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 3.
|
|
Using exchange 3. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 3.
|
|
|
|
2.077e-01 Solution 2 Solution after simulation 2.
|
|
5.846e-01 Solution 3 Solution after simulation 2.
|
|
2.077e-01 Solution 4 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.514e-02 4.514e-02 9.405e-01 0.000
|
|
NaX 2.855e-03 2.855e-03 5.948e-02 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.728e-02 1.728e-02
|
|
Cl 6.719e-03 6.719e-03
|
|
K 2.276e-02 2.276e-02
|
|
Na 1.241e-03 1.241e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.090 Charge balance
|
|
pe = 13.856 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 1°C) = 1862
|
|
Density (g/cm³) = 1.00177
|
|
Volume (L) = 1.00076
|
|
Viscosity (mPa s) = 1.70216
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.292e-08
|
|
Temperature (°C) = 1.44
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 7.292e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 4
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.168e-08 8.125e-08 -7.038 -7.090 -0.052 0.00
|
|
OH- 1.895e-08 1.632e-08 -7.722 -7.787 -0.065 -5.84
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.728e-02
|
|
Br- 1.728e-02 1.484e-02 -1.762 -1.829 -0.066 22.70
|
|
Cl 6.719e-03
|
|
Cl- 6.719e-03 5.798e-03 -2.173 -2.237 -0.064 16.70
|
|
HCl 1.835e-10 1.879e-10 -9.736 -9.726 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.935 -44.932 0.002 28.64
|
|
K 2.276e-02
|
|
K+ 2.276e-02 1.962e-02 -1.643 -1.707 -0.064 7.95
|
|
Na 1.241e-03
|
|
Na+ 1.241e-03 1.078e-03 -2.906 -2.967 -0.061 -3.16
|
|
O(0) 3.370e-11
|
|
O2 1.685e-11 1.694e-11 -10.773 -10.771 0.002 27.74
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(274 K, 1 atm)
|
|
|
|
H2(g) -41.91 -44.93 -3.02 H2
|
|
H2O(g) -2.17 -0.00 2.17 H2O
|
|
Halite -6.75 -5.20 1.55 NaCl
|
|
O2(g) -8.10 -10.77 -2.68 O2
|
|
Sylvite -4.72 -3.94 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 4.
|
|
Using exchange 4. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 4.
|
|
|
|
2.077e-01 Solution 3 Solution after simulation 2.
|
|
5.846e-01 Solution 4 Solution after simulation 2.
|
|
2.077e-01 Solution 5 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.753e-02 4.753e-02 9.902e-01 0.000
|
|
NaX 4.680e-04 4.680e-04 9.751e-03 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.089e-02 2.089e-02
|
|
Cl 3.110e-03 3.110e-03
|
|
K 2.380e-02 2.380e-02
|
|
Na 2.021e-04 2.021e-04
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.043 Charge balance
|
|
pe = 14.257 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1813
|
|
Density (g/cm³) = 1.00186
|
|
Volume (L) = 1.00085
|
|
Viscosity (mPa s) = 1.77161
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.717e-08
|
|
Temperature (°C) = 0.26
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 8.717e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 7
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.022e-07 9.060e-08 -6.991 -7.043 -0.052 0.00
|
|
OH- 1.513e-08 1.304e-08 -7.820 -7.885 -0.065 -6.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.089e-02
|
|
Br- 2.089e-02 1.794e-02 -1.680 -1.746 -0.066 22.53
|
|
Cl 3.110e-03
|
|
Cl- 3.110e-03 2.684e-03 -2.507 -2.571 -0.064 16.57
|
|
HCl 9.542e-11 9.769e-11 -10.020 -10.010 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.635 -45.633 0.002 28.64
|
|
K 2.380e-02
|
|
K+ 2.380e-02 2.052e-02 -1.623 -1.688 -0.064 7.86
|
|
Na 2.021e-04
|
|
Na+ 2.021e-04 1.755e-04 -3.694 -3.756 -0.061 -3.30
|
|
O(0) 3.001e-10
|
|
O2 1.501e-10 1.509e-10 -9.824 -9.821 0.002 27.53
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.62 -45.63 -3.01 H2
|
|
H2O(g) -2.20 -0.00 2.20 H2O
|
|
Halite -7.88 -6.33 1.55 NaCl
|
|
O2(g) -7.16 -9.82 -2.66 O2
|
|
Sylvite -5.02 -4.26 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 5.
|
|
Using exchange 5. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 5.
|
|
|
|
2.077e-01 Solution 4 Solution after simulation 2.
|
|
5.846e-01 Solution 5 Solution after simulation 2.
|
|
2.077e-01 Solution 6 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.794e-02 4.794e-02 9.988e-01 0.000
|
|
NaX 5.659e-05 5.659e-05 1.179e-03 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.278e-02 2.278e-02
|
|
Cl 1.216e-03 1.216e-03
|
|
K 2.398e-02 2.398e-02
|
|
Na 2.441e-05 2.441e-05
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.017 Charge balance
|
|
pe = 14.153 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00192
|
|
Volume (L) = 1.00088
|
|
Viscosity (mPa s) = 1.78531
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.465e-08
|
|
Temperature (°C) = 0.04
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 9.465e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 14
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.085e-07 9.622e-08 -6.964 -7.017 -0.052 0.00
|
|
OH- 1.393e-08 1.201e-08 -7.856 -7.921 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.278e-02
|
|
Br- 2.278e-02 1.957e-02 -1.642 -1.708 -0.066 22.49
|
|
Cl 1.216e-03
|
|
Cl- 1.216e-03 1.049e-03 -2.915 -2.979 -0.064 16.54
|
|
HCl 3.967e-11 4.061e-11 -10.402 -10.391 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.374 -45.371 0.002 28.65
|
|
K 2.398e-02
|
|
K+ 2.398e-02 2.068e-02 -1.620 -1.685 -0.064 7.84
|
|
Na 2.441e-05
|
|
Na+ 2.441e-05 2.120e-05 -4.613 -4.674 -0.061 -3.33
|
|
O(0) 7.373e-11
|
|
O2 3.687e-11 3.707e-11 -10.433 -10.431 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.36 -45.37 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -9.20 -7.65 1.55 NaCl
|
|
O2(g) -7.77 -10.43 -2.66 O2
|
|
Sylvite -5.43 -4.66 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 6.
|
|
Using exchange 6. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 6.
|
|
|
|
2.077e-01 Solution 5 Solution after simulation 2.
|
|
5.846e-01 Solution 6 Solution after simulation 2.
|
|
2.077e-01 Solution 7 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.799e-02 4.799e-02 9.999e-01 0.000
|
|
NaX 5.158e-06 5.158e-06 1.074e-04 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.360e-02 2.360e-02
|
|
Cl 3.957e-04 3.957e-04
|
|
K 2.400e-02 2.400e-02
|
|
Na 2.224e-06 2.224e-06
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.005 Charge balance
|
|
pe = 13.211 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1804
|
|
Density (g/cm³) = 1.00195
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78721
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.789e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.787e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 14
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.114e-07 9.876e-08 -6.953 -7.005 -0.052 0.00
|
|
OH- 1.353e-08 1.166e-08 -7.869 -7.933 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.360e-02
|
|
Br- 2.360e-02 2.027e-02 -1.627 -1.693 -0.066 22.49
|
|
Cl 3.957e-04
|
|
Cl- 3.957e-04 3.416e-04 -3.403 -3.466 -0.064 16.53
|
|
HCl 1.326e-11 1.357e-11 -10.878 -10.867 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -43.467 -43.464 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
Na 2.224e-06
|
|
Na+ 2.224e-06 1.932e-06 -5.653 -5.714 -0.061 -3.34
|
|
O(0) 1.099e-14
|
|
O2 5.495e-15 5.525e-15 -14.260 -14.258 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -40.45 -43.46 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -10.73 -9.18 1.55 NaCl
|
|
O2(g) -11.60 -14.26 -2.66 O2
|
|
Sylvite -5.91 -5.15 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 7.
|
|
Using exchange 7. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 7.
|
|
|
|
2.077e-01 Solution 6 Solution after simulation 2.
|
|
5.846e-01 Solution 7 Solution after simulation 2.
|
|
2.077e-01 Solution 8 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 0.000
|
|
NaX 3.567e-07 3.567e-07 7.432e-06 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.389e-02 2.389e-02
|
|
Cl 1.056e-04 1.056e-04
|
|
K 2.400e-02 2.400e-02
|
|
Na 1.538e-07 1.538e-07
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.001 Charge balance
|
|
pe = 13.764 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1804
|
|
Density (g/cm³) = 1.00196
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78739
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.903e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.900e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 8
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.124e-07 9.967e-08 -6.949 -7.001 -0.052 0.00
|
|
OH- 1.341e-08 1.155e-08 -7.873 -7.937 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.389e-02
|
|
Br- 2.389e-02 2.052e-02 -1.622 -1.688 -0.066 22.49
|
|
Cl 1.056e-04
|
|
Cl- 1.056e-04 9.118e-05 -3.976 -4.040 -0.064 16.53
|
|
HCl 3.571e-12 3.656e-12 -11.447 -11.437 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.566 -44.563 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
Na 1.538e-07
|
|
Na+ 1.538e-07 1.336e-07 -6.813 -6.874 -0.061 -3.34
|
|
O(0) 1.729e-12
|
|
O2 8.646e-13 8.694e-13 -12.063 -12.061 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -41.55 -44.56 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -12.46 -10.91 1.55 NaCl
|
|
O2(g) -9.40 -12.06 -2.66 O2
|
|
Sylvite -6.49 -5.72 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 8.
|
|
Using exchange 8. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 8.
|
|
|
|
2.077e-01 Solution 7 Solution after simulation 2.
|
|
5.846e-01 Solution 8 Solution after simulation 2.
|
|
2.077e-01 Solution 9 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 0.000
|
|
NaX 1.866e-08 1.866e-08 3.887e-07 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.398e-02 2.398e-02
|
|
Cl 2.266e-05 2.266e-05
|
|
K 2.400e-02 2.400e-02
|
|
Na 8.045e-09 8.045e-09
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 13.704 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.936e-08
|
|
Temperature (°C) = 0.00
|
|
Pressure (atm) = 1.00
|
|
Electrical balance (eq) = 9.932e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 5
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.127e-07 9.993e-08 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.337e-08 1.152e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.398e-02
|
|
Br- 2.398e-02 2.059e-02 -1.620 -1.686 -0.066 22.49
|
|
Cl 2.266e-05
|
|
Cl- 2.266e-05 1.956e-05 -4.645 -4.709 -0.064 16.53
|
|
HCl 7.682e-13 7.865e-13 -12.115 -12.104 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.444 -44.441 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
Na 8.045e-09
|
|
Na+ 8.045e-09 6.989e-09 -8.094 -8.156 -0.061 -3.34
|
|
O(0) 9.863e-13
|
|
O2 4.932e-13 4.959e-13 -12.307 -12.305 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -41.43 -44.44 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -14.41 -12.86 1.55 NaCl
|
|
O2(g) -9.65 -12.30 -2.66 O2
|
|
Sylvite -7.16 -6.39 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 9.
|
|
Using exchange 9. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 9.
|
|
|
|
2.077e-01 Solution 8 Solution after simulation 2.
|
|
5.846e-01 Solution 9 Solution after simulation 2.
|
|
2.077e-01 Solution 10 Solution after simulation 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 0.000
|
|
NaX 7.270e-10 7.270e-10 1.515e-08 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
Cl 3.808e-06 3.808e-06
|
|
K 2.400e-02 2.400e-02
|
|
Na 3.135e-10 3.135e-10
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 13.610 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.943e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.940e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 6
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 9.999e-08 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
Cl 3.808e-06
|
|
Cl- 3.808e-06 3.287e-06 -5.419 -5.483 -0.064 16.53
|
|
HCl 1.291e-13 1.322e-13 -12.889 -12.879 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.255 -44.252 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
Na 3.135e-10
|
|
Na+ 3.135e-10 2.723e-10 -9.504 -9.565 -0.061 -3.34
|
|
O(0) 4.131e-13
|
|
O2 2.065e-13 2.077e-13 -12.685 -12.683 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -41.24 -44.25 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -16.60 -15.05 1.55 NaCl
|
|
O2(g) -10.02 -12.68 -2.66 O2
|
|
Sylvite -7.93 -7.17 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 10.
|
|
Using exchange 10. Exchange assemblage after simulation 2.
|
|
|
|
Mixture 10.
|
|
|
|
2.077e-01 Solution 9 Solution after simulation 2.
|
|
7.923e-01 Solution 10 Solution after simulation 2.
|
|
0.000e+00 Solution 11 24 mM KBr, initial temp 0C
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 0.000
|
|
NaX 2.088e-11 2.088e-11 4.350e-10 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
Cl 5.237e-07 5.237e-07
|
|
K 2.400e-02 2.400e-02
|
|
Na 9.004e-12 9.004e-12
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 13.522 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.943e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 5
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
Cl 5.237e-07
|
|
Cl- 5.237e-07 4.521e-07 -6.281 -6.345 -0.064 16.53
|
|
HCl 1.777e-14 1.819e-14 -13.750 -13.740 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.078 -44.076 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
Na 9.004e-12
|
|
Na+ 9.004e-12 7.822e-12 -11.046 -11.107 -0.061 -3.34
|
|
O(0) 1.831e-13
|
|
O2 9.154e-14 9.204e-14 -13.038 -13.036 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -41.06 -44.08 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -19.00 -17.45 1.55 NaCl
|
|
O2(g) -10.38 -13.04 -2.66 O2
|
|
Sylvite -8.79 -8.03 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
------------------
|
|
End of simulation.
|
|
------------------
|
|
|
|
------------------------------------
|
|
Reading input data for simulation 3.
|
|
------------------------------------
|
|
|
|
copy cell 31 1-30
|
|
END
|
|
------------------
|
|
End of simulation.
|
|
------------------
|
|
|
|
------------------------------------
|
|
Reading input data for simulation 4.
|
|
------------------------------------
|
|
|
|
TRANSPORT
|
|
shifts 1
|
|
multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
|
|
thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
|
|
USER_GRAPH 1 Example 12b
|
|
WARNING: No porosities were read; used the value 1.00e+00 from -multi_D.
|
|
------------------------------------
|
|
Column data retained from former run
|
|
------------------------------------
|
|
|
|
-headings MultiD&Visc:Na Cl TC
|
|
-start
|
|
10 x = DIST
|
|
20 PLOT_XY x, TOT("Na")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Red
|
|
30 PLOT_XY x, TOT("Cl")*1000, symbol = Circle, line_width = 0, symbol_size = 5, color = Green
|
|
40 PLOT_XY x, TC, symbol = Circle, line_width = 0, symbol_size = 5, y-axis 2, color = Blue
|
|
END
|
|
------------------------------------
|
|
Beginning of transport calculations.
|
|
------------------------------------
|
|
|
|
-------------------------------
|
|
Equilibrating initial solutions
|
|
-------------------------------
|
|
|
|
Using solution 0. Solution after simulation 2.
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Cl 2.400e-02 2.400e-02
|
|
Na 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 4.000 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 24°C) = 2687
|
|
Density (g/cm³) = 0.99829
|
|
Volume (L) = 1.00312
|
|
Viscosity (mPa s) = 0.91317
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.679e-09
|
|
Temperature (°C) = 24.00
|
|
Electrical balance (eq) = 4.679e-09
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 0
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
|
|
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
|
|
Cl 2.400e-02
|
|
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
|
|
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
|
|
H(0) 1.422e-25
|
|
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
|
|
Na 2.400e-02
|
|
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
|
|
O(0) 0.000e+00
|
|
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(297 K, 1 atm)
|
|
|
|
H2(g) -22.05 -25.15 -3.10 H2
|
|
H2O(g) -1.53 -0.00 1.53 H2O
|
|
Halite -4.94 -3.37 1.57 NaCl
|
|
O2(g) -39.53 -42.41 -2.89 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 1. 24 mM KBr, initial temp 0C
|
|
Using exchange 1.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 2. 24 mM KBr, initial temp 0C
|
|
Using exchange 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (26 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 3. 24 mM KBr, initial temp 0C
|
|
Using exchange 3.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (39 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 4. 24 mM KBr, initial temp 0C
|
|
Using exchange 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (52 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 5. 24 mM KBr, initial temp 0C
|
|
Using exchange 5.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (65 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 6. 24 mM KBr, initial temp 0C
|
|
Using exchange 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (78 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 7. 24 mM KBr, initial temp 0C
|
|
Using exchange 7.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (91 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 8. 24 mM KBr, initial temp 0C
|
|
Using exchange 8.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (104 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 9. 24 mM KBr, initial temp 0C
|
|
Using exchange 9.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (117 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 10. 24 mM KBr, initial temp 0C
|
|
Using exchange 10.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (130 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
WARNING:
|
|
Calculating transport: 10 (mobile) cells, 1 shifts, 373 mixruns...
|
|
|
|
|
|
Transport step 1. Multicomponent diffusion run 373.
|
|
|
|
Using solution 0. Solution after simulation 4.
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Cl 2.400e-02 2.400e-02
|
|
Na 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 4.000 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 24°C) = 2687
|
|
Density (g/cm³) = 0.99829
|
|
Volume (L) = 1.00312
|
|
Viscosity (mPa s) = 0.91317
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.679e-09
|
|
Temperature (°C) = 24.00
|
|
Electrical balance (eq) = 4.679e-09
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 0
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
|
|
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
|
|
Cl 2.400e-02
|
|
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
|
|
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
|
|
H(0) 1.422e-25
|
|
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
|
|
Na 2.400e-02
|
|
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
|
|
O(0) 0.000e+00
|
|
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(297 K, 1 atm)
|
|
|
|
H2(g) -22.05 -25.15 -3.10 H2
|
|
H2O(g) -1.53 -0.00 1.53 H2O
|
|
Halite -4.94 -3.37 1.57 NaCl
|
|
O2(g) -39.53 -42.41 -2.89 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 1.
|
|
Using exchange 1. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 1.
|
|
|
|
0.000e+00 Solution 0 Solution after simulation 4.
|
|
1.000e+00 Solution 1 Solution after simulation 4.
|
|
0.000e+00 Solution 2 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
NaX 4.315e-02 4.315e-02 8.990e-01 -0.063
|
|
KX 4.847e-03 4.847e-03 1.010e-01 0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.468e-03 1.468e-03
|
|
Cl 2.205e-02 2.205e-02
|
|
K 2.719e-03 2.719e-03
|
|
Na 2.080e-02 2.080e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.015 Charge balance
|
|
pe = 12.225 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 22°C) = 2564
|
|
Density (g/cm³) = 0.99893
|
|
Volume (L) = 1.00256
|
|
Viscosity (mPa s) = 0.96748
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.352e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -1.672e-08
|
|
Temperature (°C) = 21.53
|
|
Electrical balance (eq) = 1.018e-07
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.092e-07 9.656e-08 -6.962 -7.015 -0.054 0.00
|
|
OH- 9.314e-08 7.998e-08 -7.031 -7.097 -0.066 -4.12
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05
|
|
Br 1.468e-03
|
|
Br- 1.468e-03 1.257e-03 -2.833 -2.901 -0.068 24.50
|
|
Cl 2.205e-02
|
|
Cl- 2.205e-02 1.897e-02 -1.657 -1.722 -0.065 18.07
|
|
HCl 6.302e-10 6.449e-10 -9.201 -9.191 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -41.617 -41.615 0.002 28.61
|
|
K 2.719e-03
|
|
K+ 2.719e-03 2.337e-03 -2.566 -2.631 -0.066 8.99
|
|
Na 2.080e-02
|
|
Na+ 2.080e-02 1.801e-02 -1.682 -1.744 -0.063 -1.50
|
|
O(0) 1.031e-10
|
|
O2 5.156e-11 5.184e-11 -10.288 -10.285 0.002 30.12
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(294 K, 1 atm)
|
|
|
|
H2(g) -38.52 -41.61 -3.09 H2
|
|
H2O(g) -1.59 -0.00 1.59 H2O
|
|
Halite -5.03 -3.47 1.57 NaCl
|
|
O2(g) -7.42 -10.29 -2.87 O2
|
|
Sylvite -5.24 -4.35 0.88 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 2.
|
|
Using exchange 2. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 2.
|
|
|
|
0.000e+00 Solution 1 Solution after simulation 4.
|
|
1.000e+00 Solution 2 Solution after simulation 4.
|
|
0.000e+00 Solution 3 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
NaX 3.173e-02 3.173e-02 6.611e-01 -0.061
|
|
KX 1.627e-02 1.627e-02 3.389e-01 0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 4.424e-03 4.424e-03
|
|
Cl 1.815e-02 1.815e-02
|
|
K 8.416e-03 8.416e-03
|
|
Na 1.416e-02 1.416e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.043 Charge balance
|
|
pe = 12.789 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 16°C) = 2304
|
|
Density (g/cm³) = 1.00010
|
|
Volume (L) = 1.00155
|
|
Viscosity (mPa s) = 1.10687
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.258e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -3.923e-08
|
|
Temperature (°C) = 16.09
|
|
Electrical balance (eq) = 1.002e-07
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.023e-07 9.067e-08 -6.990 -7.043 -0.052 0.00
|
|
OH- 6.356e-08 5.480e-08 -7.197 -7.261 -0.064 -4.43
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
|
|
Br 4.424e-03
|
|
Br- 4.424e-03 3.802e-03 -2.354 -2.420 -0.066 24.16
|
|
Cl 1.815e-02
|
|
Cl- 1.815e-02 1.568e-02 -1.741 -1.805 -0.064 17.84
|
|
HCl 5.062e-10 5.175e-10 -9.296 -9.286 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.776 -42.774 0.002 28.62
|
|
K 8.416e-03
|
|
K+ 8.416e-03 7.261e-03 -2.075 -2.139 -0.064 8.78
|
|
Na 1.416e-02
|
|
Na+ 1.416e-02 1.231e-02 -1.849 -1.910 -0.061 -1.84
|
|
O(0) 3.178e-10
|
|
O2 1.589e-10 1.597e-10 -9.799 -9.797 0.002 29.62
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(289 K, 1 atm)
|
|
|
|
H2(g) -39.70 -42.77 -3.08 H2
|
|
H2O(g) -1.74 -0.00 1.74 H2O
|
|
Halite -5.28 -3.71 1.56 NaCl
|
|
O2(g) -6.97 -9.80 -2.82 O2
|
|
Sylvite -4.80 -3.94 0.85 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 3.
|
|
Using exchange 3. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 3.
|
|
|
|
0.000e+00 Solution 2 Solution after simulation 4.
|
|
1.000e+00 Solution 3 Solution after simulation 4.
|
|
0.000e+00 Solution 4 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 2.914e-02 2.914e-02 6.071e-01 0.000
|
|
NaX 1.886e-02 1.886e-02 3.929e-01 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 7.490e-03 7.490e-03
|
|
Cl 1.435e-02 1.435e-02
|
|
K 1.400e-02 1.400e-02
|
|
Na 7.840e-03 7.840e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.059 Charge balance
|
|
pe = 13.313 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 11°C) = 2066
|
|
Density (g/cm³) = 1.00094
|
|
Volume (L) = 1.00090
|
|
Viscosity (mPa s) = 1.27974
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.184e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -5.732e-08
|
|
Temperature (°C) = 10.72
|
|
Electrical balance (eq) = 9.993e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.835e-08 8.738e-08 -7.007 -7.059 -0.051 0.00
|
|
OH- 4.144e-08 3.584e-08 -7.383 -7.446 -0.063 -4.83
|
|
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
|
|
Br 7.490e-03
|
|
Br- 7.490e-03 6.458e-03 -2.126 -2.190 -0.064 23.73
|
|
Cl 1.435e-02
|
|
Cl- 1.435e-02 1.243e-02 -1.843 -1.906 -0.062 17.52
|
|
HCl 4.002e-10 4.088e-10 -9.398 -9.388 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -43.831 -43.829 0.002 28.62
|
|
K 1.400e-02
|
|
K+ 1.400e-02 1.212e-02 -1.854 -1.917 -0.063 8.52
|
|
Na 7.840e-03
|
|
Na+ 7.840e-03 6.832e-03 -2.106 -2.165 -0.060 -2.25
|
|
O(0) 5.419e-10
|
|
O2 2.710e-10 2.723e-10 -9.567 -9.565 0.002 29.03
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(283 K, 1 atm)
|
|
|
|
H2(g) -40.77 -43.83 -3.06 H2
|
|
H2O(g) -1.89 -0.00 1.89 H2O
|
|
Halite -5.63 -4.07 1.56 NaCl
|
|
O2(g) -6.79 -9.56 -2.77 O2
|
|
Sylvite -4.65 -3.82 0.83 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 4.
|
|
Using exchange 4. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 4.
|
|
|
|
0.000e+00 Solution 3 Solution after simulation 4.
|
|
1.000e+00 Solution 4 Solution after simulation 4.
|
|
0.000e+00 Solution 5 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 3.971e-02 3.971e-02 8.274e-01 0.000
|
|
NaX 8.286e-03 8.286e-03 1.726e-01 -0.059
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.068e-02 1.068e-02
|
|
Cl 1.093e-02 1.093e-02
|
|
K 1.829e-02 1.829e-02
|
|
Na 3.309e-03 3.309e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.065 Charge balance
|
|
pe = 13.763 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 6°C) = 1889
|
|
Density (g/cm³) = 1.00139
|
|
Volume (L) = 1.00064
|
|
Viscosity (mPa s) = 1.46185
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.160e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -6.914e-08
|
|
Temperature (°C) = 6.19
|
|
Electrical balance (eq) = 9.964e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.674e-08 8.605e-08 -7.014 -7.065 -0.051 0.00
|
|
OH- 2.791e-08 2.418e-08 -7.554 -7.617 -0.062 -5.27
|
|
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.068e-02
|
|
Br- 1.068e-02 9.222e-03 -1.972 -2.035 -0.064 23.28
|
|
Cl 1.093e-02
|
|
Cl- 1.093e-02 9.481e-03 -1.962 -2.023 -0.062 17.16
|
|
HCl 3.092e-10 3.159e-10 -9.510 -9.501 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.722 -44.720 0.002 28.63
|
|
K 1.829e-02
|
|
K+ 1.829e-02 1.586e-02 -1.738 -1.800 -0.062 8.26
|
|
Na 3.309e-03
|
|
Na+ 3.309e-03 2.888e-03 -2.480 -2.539 -0.059 -2.66
|
|
O(0) 7.563e-10
|
|
O2 3.781e-10 3.800e-10 -9.422 -9.420 0.002 28.46
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(279 K, 1 atm)
|
|
|
|
H2(g) -41.68 -44.72 -3.04 H2
|
|
H2O(g) -2.02 -0.00 2.02 H2O
|
|
Halite -6.12 -4.56 1.55 NaCl
|
|
O2(g) -6.69 -9.42 -2.73 O2
|
|
Sylvite -4.62 -3.82 0.80 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 5.
|
|
Using exchange 5. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 5.
|
|
|
|
0.000e+00 Solution 4 Solution after simulation 4.
|
|
1.000e+00 Solution 5 Solution after simulation 4.
|
|
0.000e+00 Solution 6 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.530e-02 4.530e-02 9.438e-01 0.000
|
|
NaX 2.700e-03 2.700e-03 5.625e-02 -0.059
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.388e-02 1.388e-02
|
|
Cl 8.013e-03 8.013e-03
|
|
K 2.082e-02 2.082e-02
|
|
Na 1.075e-03 1.075e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.068 Charge balance
|
|
pe = 14.080 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 3°C) = 1788
|
|
Density (g/cm³) = 1.00158
|
|
Volume (L) = 1.00065
|
|
Viscosity (mPa s) = 1.61216
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.189e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.547e-08
|
|
Temperature (°C) = 3.09
|
|
Electrical balance (eq) = 9.935e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.621e-08 8.557e-08 -7.017 -7.068 -0.051 0.00
|
|
OH- 2.097e-08 1.816e-08 -7.678 -7.741 -0.062 -5.63
|
|
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.388e-02
|
|
Br- 1.388e-02 1.198e-02 -1.858 -1.921 -0.064 22.91
|
|
Cl 8.013e-03
|
|
Cl- 8.013e-03 6.951e-03 -2.096 -2.158 -0.062 16.87
|
|
HCl 2.298e-10 2.348e-10 -9.639 -9.629 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.345 -45.343 0.002 28.64
|
|
K 2.082e-02
|
|
K+ 2.082e-02 1.804e-02 -1.682 -1.744 -0.062 8.06
|
|
Na 1.075e-03
|
|
Na+ 1.075e-03 9.384e-04 -2.968 -3.028 -0.059 -2.98
|
|
O(0) 9.363e-10
|
|
O2 4.682e-10 4.705e-10 -9.330 -9.327 0.002 28.00
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(276 K, 1 atm)
|
|
|
|
H2(g) -42.32 -45.34 -3.03 H2
|
|
H2O(g) -2.12 -0.00 2.11 H2O
|
|
Halite -6.74 -5.19 1.55 NaCl
|
|
O2(g) -6.63 -9.33 -2.69 O2
|
|
Sylvite -4.68 -3.90 0.78 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 6.
|
|
Using exchange 6. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 6.
|
|
|
|
0.000e+00 Solution 5 Solution after simulation 4.
|
|
1.000e+00 Solution 6 Solution after simulation 4.
|
|
0.000e+00 Solution 7 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.730e-02 4.730e-02 9.854e-01 0.000
|
|
NaX 7.029e-04 7.029e-04 1.464e-02 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.678e-02 1.678e-02
|
|
Cl 5.626e-03 5.626e-03
|
|
K 2.212e-02 2.212e-02
|
|
Na 2.847e-04 2.847e-04
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.068 Charge balance
|
|
pe = 14.262 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 1°C) = 1751
|
|
Density (g/cm³) = 1.00168
|
|
Volume (L) = 1.00073
|
|
Viscosity (mPa s) = 1.70747
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.241e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.855e-08
|
|
Temperature (°C) = 1.35
|
|
Electrical balance (eq) = 9.910e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.617e-08 8.547e-08 -7.017 -7.068 -0.051 0.00
|
|
OH- 1.777e-08 1.538e-08 -7.750 -7.813 -0.063 -5.86
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.678e-02
|
|
Br- 1.678e-02 1.447e-02 -1.775 -1.839 -0.064 22.68
|
|
Cl 5.626e-03
|
|
Cl- 5.626e-03 4.876e-03 -2.250 -2.312 -0.062 16.69
|
|
HCl 1.626e-10 1.663e-10 -9.789 -9.779 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.702 -45.700 0.002 28.64
|
|
K 2.212e-02
|
|
K+ 2.212e-02 1.916e-02 -1.655 -1.718 -0.063 7.94
|
|
Na 2.847e-04
|
|
Na+ 2.847e-04 2.482e-04 -3.546 -3.605 -0.060 -3.18
|
|
O(0) 1.066e-09
|
|
O2 5.330e-10 5.358e-10 -9.273 -9.271 0.002 27.72
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(274 K, 1 atm)
|
|
|
|
H2(g) -42.68 -45.70 -3.02 H2
|
|
H2O(g) -2.17 -0.00 2.17 H2O
|
|
Halite -7.47 -5.92 1.55 NaCl
|
|
O2(g) -6.60 -9.27 -2.67 O2
|
|
Sylvite -4.80 -4.03 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 7.
|
|
Using exchange 7. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 7.
|
|
|
|
0.000e+00 Solution 6 Solution after simulation 4.
|
|
1.000e+00 Solution 7 Solution after simulation 4.
|
|
0.000e+00 Solution 8 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.784e-02 4.784e-02 9.967e-01 0.000
|
|
NaX 1.567e-04 1.567e-04 3.264e-03 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.911e-02 1.911e-02
|
|
Cl 3.791e-03 3.791e-03
|
|
K 2.284e-02 2.284e-02
|
|
Na 6.468e-05 6.468e-05
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.067 Charge balance
|
|
pe = 14.352 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 1°C) = 1748
|
|
Density (g/cm³) = 1.00175
|
|
Volume (L) = 1.00080
|
|
Viscosity (mPa s) = 1.75568
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.290e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.018e-08
|
|
Temperature (°C) = 0.53
|
|
Electrical balance (eq) = 9.886e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.645e-08 8.566e-08 -7.016 -7.067 -0.052 0.00
|
|
OH- 1.638e-08 1.416e-08 -7.786 -7.849 -0.063 -5.98
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.911e-02
|
|
Br- 1.911e-02 1.646e-02 -1.719 -1.783 -0.065 22.56
|
|
Cl 3.791e-03
|
|
Cl- 3.791e-03 3.282e-03 -2.421 -2.484 -0.063 16.59
|
|
HCl 1.102e-10 1.127e-10 -9.958 -9.948 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.875 -45.873 0.002 28.64
|
|
K 2.284e-02
|
|
K+ 2.284e-02 1.975e-02 -1.641 -1.704 -0.063 7.88
|
|
Na 6.468e-05
|
|
Na+ 6.468e-05 5.633e-05 -4.189 -4.249 -0.060 -3.28
|
|
O(0) 1.146e-09
|
|
O2 5.732e-10 5.763e-10 -9.242 -9.239 0.002 27.58
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.86 -45.87 -3.01 H2
|
|
H2O(g) -2.19 -0.00 2.19 H2O
|
|
Halite -8.28 -6.73 1.55 NaCl
|
|
O2(g) -6.57 -9.24 -2.66 O2
|
|
Sylvite -4.96 -4.19 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 8.
|
|
Using exchange 8. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 8.
|
|
|
|
0.000e+00 Solution 7 Solution after simulation 4.
|
|
1.000e+00 Solution 8 Solution after simulation 4.
|
|
0.000e+00 Solution 9 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.797e-02 4.797e-02 9.994e-01 0.000
|
|
NaX 3.110e-05 3.110e-05 6.480e-04 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.078e-02 2.078e-02
|
|
Cl 2.497e-03 2.497e-03
|
|
K 2.327e-02 2.327e-02
|
|
Na 1.303e-05 1.303e-05
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.066 Charge balance
|
|
pe = 14.391 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1759
|
|
Density (g/cm³) = 1.00182
|
|
Volume (L) = 1.00084
|
|
Viscosity (mPa s) = 1.77619
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.328e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.111e-08
|
|
Temperature (°C) = 0.19
|
|
Electrical balance (eq) = 9.860e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.684e-08 8.595e-08 -7.014 -7.066 -0.052 0.00
|
|
OH- 1.581e-08 1.365e-08 -7.801 -7.865 -0.064 -6.03
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.078e-02
|
|
Br- 2.078e-02 1.788e-02 -1.682 -1.748 -0.065 22.51
|
|
Cl 2.497e-03
|
|
Cl- 2.497e-03 2.159e-03 -2.603 -2.666 -0.063 16.55
|
|
HCl 7.290e-11 7.459e-11 -10.137 -10.127 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.948 -45.946 0.002 28.65
|
|
K 2.327e-02
|
|
K+ 2.327e-02 2.010e-02 -1.633 -1.697 -0.063 7.85
|
|
Na 1.303e-05
|
|
Na+ 1.303e-05 1.134e-05 -4.885 -4.945 -0.060 -3.32
|
|
O(0) 1.190e-09
|
|
O2 5.952e-10 5.984e-10 -9.225 -9.223 0.002 27.52
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.93 -45.95 -3.01 H2
|
|
H2O(g) -2.20 -0.00 2.20 H2O
|
|
Halite -9.16 -7.61 1.55 NaCl
|
|
O2(g) -6.56 -9.22 -2.66 O2
|
|
Sylvite -5.13 -4.36 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 9.
|
|
Using exchange 9. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 9.
|
|
|
|
0.000e+00 Solution 8 Solution after simulation 4.
|
|
1.000e+00 Solution 9 Solution after simulation 4.
|
|
0.000e+00 Solution 10 Solution after simulation 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.799e-02 4.799e-02 9.999e-01 -0.000
|
|
NaX 5.623e-06 5.623e-06 1.172e-04 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.183e-02 2.183e-02
|
|
Cl 1.689e-03 1.689e-03
|
|
K 2.351e-02 2.351e-02
|
|
Na 2.379e-06 2.379e-06
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.064 Charge balance
|
|
pe = 14.406 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1771
|
|
Density (g/cm³) = 1.00186
|
|
Volume (L) = 1.00086
|
|
Viscosity (mPa s) = 1.78379
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.352e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.165e-08
|
|
Temperature (°C) = 0.06
|
|
Electrical balance (eq) = 9.833e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.717e-08 8.621e-08 -7.012 -7.064 -0.052 0.00
|
|
OH- 1.557e-08 1.344e-08 -7.808 -7.872 -0.064 -6.04
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.183e-02
|
|
Br- 2.183e-02 1.877e-02 -1.661 -1.726 -0.065 22.50
|
|
Cl 1.689e-03
|
|
Cl- 1.689e-03 1.459e-03 -2.772 -2.836 -0.063 16.54
|
|
HCl 4.945e-11 5.060e-11 -10.306 -10.296 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.976 -45.974 0.002 28.65
|
|
K 2.351e-02
|
|
K+ 2.351e-02 2.030e-02 -1.629 -1.692 -0.064 7.84
|
|
Na 2.379e-06
|
|
Na+ 2.379e-06 2.069e-06 -5.624 -5.684 -0.061 -3.33
|
|
O(0) 1.212e-09
|
|
O2 6.059e-10 6.092e-10 -9.218 -9.215 0.002 27.50
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.96 -45.97 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -10.07 -8.52 1.55 NaCl
|
|
O2(g) -6.56 -9.22 -2.66 O2
|
|
Sylvite -5.29 -4.53 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 10.
|
|
Using exchange 10. Exchange assemblage after simulation 4.
|
|
|
|
Mixture 10.
|
|
|
|
0.000e+00 Solution 9 Solution after simulation 4.
|
|
1.000e+00 Solution 10 Solution after simulation 4.
|
|
0.000e+00 Solution 11 24 mM KBr, initial temp 0C
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 0.000
|
|
NaX 1.066e-06 1.066e-06 2.220e-05 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.233e-02 2.233e-02
|
|
Cl 1.304e-03 1.304e-03
|
|
K 2.363e-02 2.363e-02
|
|
Na 4.529e-07 4.529e-07
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.064 Charge balance
|
|
pe = 14.412 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1777
|
|
Density (g/cm³) = 1.00189
|
|
Volume (L) = 1.00087
|
|
Viscosity (mPa s) = 1.78613
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.363e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.190e-08
|
|
Temperature (°C) = 0.02
|
|
Electrical balance (eq) = 9.887e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.735e-08 8.636e-08 -7.012 -7.064 -0.052 0.00
|
|
OH- 1.549e-08 1.336e-08 -7.810 -7.874 -0.064 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.233e-02
|
|
Br- 2.233e-02 1.919e-02 -1.651 -1.717 -0.066 22.49
|
|
Cl 1.304e-03
|
|
Cl- 1.304e-03 1.127e-03 -2.885 -2.948 -0.063 16.54
|
|
HCl 3.824e-11 3.913e-11 -10.418 -10.407 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.985 -45.983 0.002 28.65
|
|
K 2.363e-02
|
|
K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84
|
|
Na 4.529e-07
|
|
Na+ 4.529e-07 3.938e-07 -6.344 -6.405 -0.061 -3.34
|
|
O(0) 1.221e-09
|
|
O2 6.103e-10 6.136e-10 -9.214 -9.212 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.97 -45.98 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -10.90 -9.35 1.55 NaCl
|
|
O2(g) -6.55 -9.21 -2.66 O2
|
|
Sylvite -5.40 -4.64 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
------------------
|
|
End of simulation.
|
|
------------------
|
|
|
|
------------------------------------
|
|
Reading input data for simulation 5.
|
|
------------------------------------
|
|
|
|
copy cell 31 1-30
|
|
USER_GRAPH 1
|
|
-connect_simulations false
|
|
END
|
|
------------------
|
|
End of simulation.
|
|
------------------
|
|
|
|
------------------------------------
|
|
Reading input data for simulation 6.
|
|
------------------------------------
|
|
|
|
TRANSPORT
|
|
shifts 1
|
|
multi_d true 2.33e-9 1 0.05 0 false # will give the traditional results when tc = 25 throughout
|
|
thermal_diffusion 3.0 2.33e-9 # define the diffusion coefficient for heat equal to Na
|
|
implicit true 3 -12 # max_mixf = 3, min_dif_LM = -12
|
|
USER_GRAPH 1 Example 12b
|
|
WARNING: No porosities were read; used the value 1.00e+00 from -multi_D.
|
|
------------------------------------
|
|
Column data retained from former run
|
|
------------------------------------
|
|
|
|
-headings MultiD&Visc&Implicit:Na Cl TC
|
|
-start
|
|
10 x = DIST
|
|
20 PLOT_XY x, TOT("Na")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Red
|
|
30 PLOT_XY x, TOT("Cl")*1000, symbol = XCross, line_width = 0, symbol_size = 9, color = Green
|
|
40 PLOT_XY x, TC, symbol = XCross, line_width = 0, symbol_size = 9, y-axis 2, color = Blue
|
|
END
|
|
------------------------------------
|
|
Beginning of transport calculations.
|
|
------------------------------------
|
|
|
|
-------------------------------
|
|
Equilibrating initial solutions
|
|
-------------------------------
|
|
|
|
Using solution 0. Solution after simulation 4.
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Cl 2.400e-02 2.400e-02
|
|
Na 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 4.000 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 24°C) = 2687
|
|
Density (g/cm³) = 0.99829
|
|
Volume (L) = 1.00312
|
|
Viscosity (mPa s) = 0.91317
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.679e-09
|
|
Temperature (°C) = 24.00
|
|
Electrical balance (eq) = 4.679e-09
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 0
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
|
|
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
|
|
Cl 2.400e-02
|
|
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
|
|
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
|
|
H(0) 1.422e-25
|
|
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
|
|
Na 2.400e-02
|
|
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
|
|
O(0) 0.000e+00
|
|
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(297 K, 1 atm)
|
|
|
|
H2(g) -22.05 -25.15 -3.10 H2
|
|
H2O(g) -1.53 -0.00 1.53 H2O
|
|
Halite -4.94 -3.37 1.57 NaCl
|
|
O2(g) -39.53 -42.41 -2.89 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 1. 24 mM KBr, initial temp 0C
|
|
Using exchange 1.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 2. 24 mM KBr, initial temp 0C
|
|
Using exchange 2.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (26 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 3. 24 mM KBr, initial temp 0C
|
|
Using exchange 3.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (39 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 4. 24 mM KBr, initial temp 0C
|
|
Using exchange 4.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (52 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 5. 24 mM KBr, initial temp 0C
|
|
Using exchange 5.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (65 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 6. 24 mM KBr, initial temp 0C
|
|
Using exchange 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (78 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 7. 24 mM KBr, initial temp 0C
|
|
Using exchange 7.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (91 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 8. 24 mM KBr, initial temp 0C
|
|
Using exchange 8.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (104 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 9. 24 mM KBr, initial temp 0C
|
|
Using exchange 9.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (117 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using solution 10. 24 mM KBr, initial temp 0C
|
|
Using exchange 10.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 1.000e+00 -0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.400e-02 2.400e-02
|
|
K 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 12.957 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1805
|
|
Density (g/cm³) = 1.00197
|
|
Volume (L) = 1.00089
|
|
Viscosity (mPa s) = 1.78740
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -9.945e-08
|
|
Temperature (°C) = 0.00
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 13 (130 overall)
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.128e-07 1.000e-07 -6.948 -7.000 -0.052 0.00
|
|
OH- 1.336e-08 1.151e-08 -7.874 -7.939 -0.065 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.400e-02
|
|
Br- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 22.49
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.949 -42.947 0.002 28.65
|
|
K 2.400e-02
|
|
K+ 2.400e-02 2.070e-02 -1.620 -1.684 -0.064 7.84
|
|
O(0) 1.011e-15
|
|
O2 5.053e-16 5.081e-16 -15.296 -15.294 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -39.94 -42.95 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
O2(g) -12.64 -15.29 -2.66 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
WARNING:
|
|
Calculating implicit transport: 10 (mobile) cells, 1 shifts, 56 mixruns, max. mixf = 3.
|
|
|
|
|
|
Transport step 1. Multicomponent diffusion run 56.
|
|
|
|
Using solution 0. Solution after simulation 6.
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Cl 2.400e-02 2.400e-02
|
|
Na 2.400e-02 2.400e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.000 Charge balance
|
|
pe = 4.000 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 24°C) = 2687
|
|
Density (g/cm³) = 0.99829
|
|
Volume (L) = 1.00312
|
|
Viscosity (mPa s) = 0.91317
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.400e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.679e-09
|
|
Temperature (°C) = 24.00
|
|
Electrical balance (eq) = 4.679e-09
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 0
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.133e-07 1.000e-07 -6.946 -7.000 -0.054 0.00
|
|
OH- 1.093e-07 9.367e-08 -6.961 -7.028 -0.067 -4.01
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.06
|
|
Cl 2.400e-02
|
|
Cl- 2.400e-02 2.061e-02 -1.620 -1.686 -0.066 18.16
|
|
HCl 6.977e-10 7.143e-10 -9.156 -9.146 0.010 (0)
|
|
H(0) 1.422e-25
|
|
H2 7.111e-26 7.151e-26 -25.148 -25.146 0.002 28.61
|
|
Na 2.400e-02
|
|
Na+ 2.400e-02 2.074e-02 -1.620 -1.683 -0.063 -1.36
|
|
O(0) 0.000e+00
|
|
O2 0.000e+00 0.000e+00 -42.416 -42.413 0.002 30.32
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(297 K, 1 atm)
|
|
|
|
H2(g) -22.05 -25.15 -3.10 H2
|
|
H2O(g) -1.53 -0.00 1.53 H2O
|
|
Halite -4.94 -3.37 1.57 NaCl
|
|
O2(g) -39.53 -42.41 -2.89 O2
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 1.
|
|
Using exchange 1. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 1.
|
|
|
|
0.000e+00 Solution 0 Solution after simulation 6.
|
|
1.000e+00 Solution 1 Solution after simulation 6.
|
|
0.000e+00 Solution 2 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
NaX 4.288e-02 4.288e-02 8.933e-01 -0.063
|
|
KX 5.119e-03 5.119e-03 1.067e-01 0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.496e-03 1.496e-03
|
|
Cl 2.204e-02 2.204e-02
|
|
K 2.870e-03 2.870e-03
|
|
Na 2.066e-02 2.066e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.016 Charge balance
|
|
pe = 12.155 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 21°C) = 2563
|
|
Density (g/cm³) = 0.99896
|
|
Volume (L) = 1.00254
|
|
Viscosity (mPa s) = 0.96986
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.353e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -1.698e-08
|
|
Temperature (°C) = 21.42
|
|
Electrical balance (eq) = 9.963e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.090e-07 9.632e-08 -6.963 -7.016 -0.054 0.00
|
|
OH- 9.261e-08 7.953e-08 -7.033 -7.099 -0.066 -4.12
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.05
|
|
Br 1.496e-03
|
|
Br- 1.496e-03 1.280e-03 -2.825 -2.893 -0.068 24.49
|
|
Cl 2.204e-02
|
|
Cl- 2.204e-02 1.896e-02 -1.657 -1.722 -0.065 18.07
|
|
HCl 6.286e-10 6.432e-10 -9.202 -9.192 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -41.479 -41.476 0.002 28.61
|
|
K 2.870e-03
|
|
K+ 2.870e-03 2.467e-03 -2.542 -2.608 -0.066 8.99
|
|
Na 2.066e-02
|
|
Na+ 2.066e-02 1.789e-02 -1.685 -1.747 -0.063 -1.50
|
|
O(0) 5.031e-11
|
|
O2 2.515e-11 2.529e-11 -10.599 -10.597 0.002 30.11
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(294 K, 1 atm)
|
|
|
|
H2(g) -38.38 -41.48 -3.09 H2
|
|
H2O(g) -1.60 -0.00 1.60 H2O
|
|
Halite -5.04 -3.47 1.57 NaCl
|
|
O2(g) -7.73 -10.60 -2.87 O2
|
|
Sylvite -5.21 -4.33 0.88 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 2.
|
|
Using exchange 2. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 2.
|
|
|
|
0.000e+00 Solution 1 Solution after simulation 6.
|
|
1.000e+00 Solution 2 Solution after simulation 6.
|
|
0.000e+00 Solution 3 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
NaX 3.084e-02 3.084e-02 6.425e-01 -0.061
|
|
KX 1.716e-02 1.716e-02 3.575e-01 0.000
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 4.518e-03 4.518e-03
|
|
Cl 1.812e-02 1.812e-02
|
|
K 8.876e-03 8.876e-03
|
|
Na 1.376e-02 1.376e-02
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.039 Charge balance
|
|
pe = 12.713 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 16°C) = 2321
|
|
Density (g/cm³) = 1.00010
|
|
Volume (L) = 1.00157
|
|
Viscosity (mPa s) = 1.10528
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.264e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -4.020e-08
|
|
Temperature (°C) = 16.15
|
|
Electrical balance (eq) = 1.004e-07
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 2
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 1.031e-07 9.135e-08 -6.987 -7.039 -0.052 0.00
|
|
OH- 6.338e-08 5.463e-08 -7.198 -7.263 -0.065 -4.42
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.04
|
|
Br 4.518e-03
|
|
Br- 4.518e-03 3.882e-03 -2.345 -2.411 -0.066 24.17
|
|
Cl 1.812e-02
|
|
Cl- 1.812e-02 1.565e-02 -1.742 -1.806 -0.064 17.84
|
|
HCl 5.088e-10 5.202e-10 -9.293 -9.284 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -42.617 -42.614 0.002 28.62
|
|
K 8.876e-03
|
|
K+ 8.876e-03 7.657e-03 -2.052 -2.116 -0.064 8.78
|
|
Na 1.376e-02
|
|
Na+ 1.376e-02 1.196e-02 -1.861 -1.922 -0.061 -1.84
|
|
O(0) 1.592e-10
|
|
O2 7.962e-11 8.003e-11 -10.099 -10.097 0.002 29.62
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(289 K, 1 atm)
|
|
|
|
H2(g) -39.54 -42.61 -3.08 H2
|
|
H2O(g) -1.74 -0.00 1.74 H2O
|
|
Halite -5.29 -3.73 1.56 NaCl
|
|
O2(g) -7.27 -10.10 -2.82 O2
|
|
Sylvite -4.78 -3.92 0.85 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 3.
|
|
Using exchange 3. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 3.
|
|
|
|
0.000e+00 Solution 2 Solution after simulation 6.
|
|
1.000e+00 Solution 3 Solution after simulation 6.
|
|
0.000e+00 Solution 4 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 3.025e-02 3.025e-02 6.301e-01 0.000
|
|
NaX 1.775e-02 1.775e-02 3.699e-01 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 7.621e-03 7.621e-03
|
|
Cl 1.437e-02 1.437e-02
|
|
K 1.458e-02 1.458e-02
|
|
Na 7.407e-03 7.407e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.052 Charge balance
|
|
pe = 13.230 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 11°C) = 2101
|
|
Density (g/cm³) = 1.00093
|
|
Volume (L) = 1.00093
|
|
Viscosity (mPa s) = 1.27129
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.199e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -5.872e-08
|
|
Temperature (°C) = 10.95
|
|
Electrical balance (eq) = 9.946e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.996e-08 8.878e-08 -7.000 -7.052 -0.052 0.00
|
|
OH- 4.165e-08 3.600e-08 -7.380 -7.444 -0.063 -4.81
|
|
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
|
|
Br 7.621e-03
|
|
Br- 7.621e-03 6.568e-03 -2.118 -2.183 -0.065 23.75
|
|
Cl 1.437e-02
|
|
Cl- 1.437e-02 1.244e-02 -1.843 -1.905 -0.063 17.53
|
|
HCl 4.064e-10 4.153e-10 -9.391 -9.382 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -43.652 -43.650 0.002 28.62
|
|
K 1.458e-02
|
|
K+ 1.458e-02 1.262e-02 -1.836 -1.899 -0.063 8.53
|
|
Na 7.407e-03
|
|
Na+ 7.407e-03 6.452e-03 -2.130 -2.190 -0.060 -2.23
|
|
O(0) 2.879e-10
|
|
O2 1.440e-10 1.447e-10 -9.842 -9.840 0.002 29.06
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(284 K, 1 atm)
|
|
|
|
H2(g) -40.59 -43.65 -3.06 H2
|
|
H2O(g) -1.88 -0.00 1.88 H2O
|
|
Halite -5.65 -4.10 1.56 NaCl
|
|
O2(g) -7.06 -9.84 -2.77 O2
|
|
Sylvite -4.63 -3.80 0.83 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 4.
|
|
Using exchange 4. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 4.
|
|
|
|
0.000e+00 Solution 3 Solution after simulation 6.
|
|
1.000e+00 Solution 4 Solution after simulation 6.
|
|
0.000e+00 Solution 5 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.013e-02 4.013e-02 8.359e-01 0.000
|
|
NaX 7.874e-03 7.874e-03 1.641e-01 -0.059
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.083e-02 1.083e-02
|
|
Cl 1.100e-02 1.100e-02
|
|
K 1.866e-02 1.866e-02
|
|
Na 3.173e-03 3.173e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.058 Charge balance
|
|
pe = 13.682 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 7°C) = 1928
|
|
Density (g/cm³) = 1.00139
|
|
Volume (L) = 1.00067
|
|
Viscosity (mPa s) = 1.44790
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.184e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.033e-08
|
|
Temperature (°C) = 6.50
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.832e-08 8.741e-08 -7.007 -7.058 -0.051 0.00
|
|
OH- 2.830e-08 2.450e-08 -7.548 -7.611 -0.063 -5.24
|
|
H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.083e-02
|
|
Br- 1.083e-02 9.349e-03 -1.965 -2.029 -0.064 23.32
|
|
Cl 1.100e-02
|
|
Cl- 1.100e-02 9.542e-03 -1.958 -2.020 -0.062 17.19
|
|
HCl 3.155e-10 3.223e-10 -9.501 -9.492 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -44.548 -44.546 0.002 28.63
|
|
K 1.866e-02
|
|
K+ 1.866e-02 1.617e-02 -1.729 -1.791 -0.062 8.28
|
|
Na 3.173e-03
|
|
Na+ 3.173e-03 2.767e-03 -2.499 -2.558 -0.059 -2.63
|
|
O(0) 4.412e-10
|
|
O2 2.206e-10 2.217e-10 -9.656 -9.654 0.002 28.50
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(279 K, 1 atm)
|
|
|
|
H2(g) -41.50 -44.55 -3.04 H2
|
|
H2O(g) -2.01 -0.00 2.01 H2O
|
|
Halite -6.13 -4.58 1.55 NaCl
|
|
O2(g) -6.92 -9.65 -2.73 O2
|
|
Sylvite -4.61 -3.81 0.80 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 5.
|
|
Using exchange 5. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 5.
|
|
|
|
0.000e+00 Solution 4 Solution after simulation 6.
|
|
1.000e+00 Solution 5 Solution after simulation 6.
|
|
0.000e+00 Solution 6 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.519e-02 4.519e-02 9.414e-01 0.000
|
|
NaX 2.810e-03 2.810e-03 5.855e-02 -0.059
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.401e-02 1.401e-02
|
|
Cl 8.098e-03 8.098e-03
|
|
K 2.098e-02 2.098e-02
|
|
Na 1.130e-03 1.130e-03
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.063 Charge balance
|
|
pe = 14.015 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 3°C) = 1819
|
|
Density (g/cm³) = 1.00160
|
|
Volume (L) = 1.00066
|
|
Viscosity (mPa s) = 1.59878
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.211e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.635e-08
|
|
Temperature (°C) = 3.34
|
|
Electrical balance (eq) = 9.944e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.737e-08 8.656e-08 -7.012 -7.063 -0.051 0.00
|
|
OH- 2.126e-08 1.840e-08 -7.673 -7.735 -0.063 -5.60
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.401e-02
|
|
Br- 1.401e-02 1.209e-02 -1.853 -1.917 -0.064 22.94
|
|
Cl 8.098e-03
|
|
Cl- 8.098e-03 7.020e-03 -2.092 -2.154 -0.062 16.90
|
|
HCl 2.343e-10 2.395e-10 -9.630 -9.621 0.009 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.207 -45.205 0.002 28.64
|
|
K 2.098e-02
|
|
K+ 2.098e-02 1.817e-02 -1.678 -1.741 -0.062 8.08
|
|
Na 1.130e-03
|
|
Na+ 1.130e-03 9.857e-04 -2.947 -3.006 -0.059 -2.95
|
|
O(0) 6.194e-10
|
|
O2 3.097e-10 3.113e-10 -9.509 -9.507 0.002 28.04
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(276 K, 1 atm)
|
|
|
|
H2(g) -42.18 -45.21 -3.03 H2
|
|
H2O(g) -2.11 -0.00 2.11 H2O
|
|
Halite -6.71 -5.16 1.55 NaCl
|
|
O2(g) -6.81 -9.51 -2.70 O2
|
|
Sylvite -4.68 -3.89 0.78 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 6.
|
|
Using exchange 6. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 6.
|
|
|
|
0.000e+00 Solution 5 Solution after simulation 6.
|
|
1.000e+00 Solution 6 Solution after simulation 6.
|
|
0.000e+00 Solution 7 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.713e-02 4.713e-02 9.819e-01 0.000
|
|
NaX 8.677e-04 8.677e-04 1.808e-02 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.686e-02 1.686e-02
|
|
Cl 5.701e-03 5.701e-03
|
|
K 2.221e-02 2.221e-02
|
|
Na 3.538e-04 3.538e-04
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.064 Charge balance
|
|
pe = 14.222 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 2°C) = 1769
|
|
Density (g/cm³) = 1.00169
|
|
Volume (L) = 1.00073
|
|
Viscosity (mPa s) = 1.69862
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.256e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -7.938e-08
|
|
Temperature (°C) = 1.50
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.709e-08 8.627e-08 -7.013 -7.064 -0.051 0.00
|
|
OH- 1.788e-08 1.546e-08 -7.748 -7.811 -0.063 -5.84
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.686e-02
|
|
Br- 1.686e-02 1.454e-02 -1.773 -1.838 -0.064 22.70
|
|
Cl 5.701e-03
|
|
Cl- 5.701e-03 4.938e-03 -2.244 -2.306 -0.062 16.70
|
|
HCl 1.661e-10 1.698e-10 -9.780 -9.770 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.615 -45.612 0.002 28.64
|
|
K 2.221e-02
|
|
K+ 2.221e-02 1.922e-02 -1.653 -1.716 -0.063 7.95
|
|
Na 3.538e-04
|
|
Na+ 3.538e-04 3.083e-04 -3.451 -3.511 -0.060 -3.16
|
|
O(0) 8.151e-10
|
|
O2 4.076e-10 4.097e-10 -9.390 -9.388 0.002 27.75
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(274 K, 1 atm)
|
|
|
|
H2(g) -42.59 -45.61 -3.02 H2
|
|
H2O(g) -2.16 -0.00 2.16 H2O
|
|
Halite -7.37 -5.82 1.55 NaCl
|
|
O2(g) -6.71 -9.39 -2.68 O2
|
|
Sylvite -4.80 -4.02 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 7.
|
|
Using exchange 7. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 7.
|
|
|
|
0.000e+00 Solution 6 Solution after simulation 6.
|
|
1.000e+00 Solution 7 Solution after simulation 6.
|
|
0.000e+00 Solution 8 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.776e-02 4.776e-02 9.949e-01 0.000
|
|
NaX 2.446e-04 2.446e-04 5.096e-03 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 1.913e-02 1.913e-02
|
|
Cl 3.862e-03 3.862e-03
|
|
K 2.289e-02 2.289e-02
|
|
Na 1.014e-04 1.014e-04
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.064 Charge balance
|
|
pe = 14.334 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 1°C) = 1759
|
|
Density (g/cm³) = 1.00176
|
|
Volume (L) = 1.00080
|
|
Viscosity (mPa s) = 1.75105
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.299e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.102e-08
|
|
Temperature (°C) = 0.60
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.728e-08 8.638e-08 -7.012 -7.064 -0.052 0.00
|
|
OH- 1.637e-08 1.415e-08 -7.786 -7.849 -0.064 -5.97
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 1.913e-02
|
|
Br- 1.913e-02 1.648e-02 -1.718 -1.783 -0.065 22.57
|
|
Cl 3.862e-03
|
|
Cl- 3.862e-03 3.342e-03 -2.413 -2.476 -0.063 16.60
|
|
HCl 1.131e-10 1.157e-10 -9.946 -9.937 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.834 -45.831 0.002 28.64
|
|
K 2.289e-02
|
|
K+ 2.289e-02 1.979e-02 -1.640 -1.704 -0.063 7.88
|
|
Na 1.014e-04
|
|
Na+ 1.014e-04 8.826e-05 -3.994 -4.054 -0.060 -3.27
|
|
O(0) 1.013e-09
|
|
O2 5.067e-10 5.094e-10 -9.295 -9.293 0.002 27.59
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.82 -45.83 -3.01 H2
|
|
H2O(g) -2.19 -0.00 2.19 H2O
|
|
Halite -8.08 -6.53 1.55 NaCl
|
|
O2(g) -6.63 -9.29 -2.67 O2
|
|
Sylvite -4.95 -4.18 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 8.
|
|
Using exchange 8. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 8.
|
|
|
|
0.000e+00 Solution 7 Solution after simulation 6.
|
|
1.000e+00 Solution 8 Solution after simulation 6.
|
|
0.000e+00 Solution 9 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.794e-02 4.794e-02 9.986e-01 0.000
|
|
NaX 6.490e-05 6.490e-05 1.352e-03 -0.060
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.075e-02 2.075e-02
|
|
Cl 2.570e-03 2.570e-03
|
|
K 2.329e-02 2.329e-02
|
|
Na 2.724e-05 2.724e-05
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.062 Charge balance
|
|
pe = 14.391 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1764
|
|
Density (g/cm³) = 1.00182
|
|
Volume (L) = 1.00084
|
|
Viscosity (mPa s) = 1.77408
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.332e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.198e-08
|
|
Temperature (°C) = 0.22
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.764e-08 8.665e-08 -7.010 -7.062 -0.052 0.00
|
|
OH- 1.573e-08 1.358e-08 -7.803 -7.867 -0.064 -6.02
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.075e-02
|
|
Br- 2.075e-02 1.786e-02 -1.683 -1.748 -0.065 22.52
|
|
Cl 2.570e-03
|
|
Cl- 2.570e-03 2.222e-03 -2.590 -2.653 -0.063 16.56
|
|
HCl 7.561e-11 7.735e-11 -10.121 -10.112 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.942 -45.940 0.002 28.65
|
|
K 2.329e-02
|
|
K+ 2.329e-02 2.012e-02 -1.633 -1.696 -0.064 7.85
|
|
Na 2.724e-05
|
|
Na+ 2.724e-05 2.370e-05 -4.565 -4.625 -0.060 -3.31
|
|
O(0) 1.193e-09
|
|
O2 5.966e-10 5.998e-10 -9.224 -9.222 0.002 27.53
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.93 -45.94 -3.01 H2
|
|
H2O(g) -2.20 -0.00 2.20 H2O
|
|
Halite -8.83 -7.28 1.55 NaCl
|
|
O2(g) -6.56 -9.22 -2.66 O2
|
|
Sylvite -5.11 -4.35 0.77 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 9.
|
|
Using exchange 9. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 9.
|
|
|
|
0.000e+00 Solution 8 Solution after simulation 6.
|
|
1.000e+00 Solution 9 Solution after simulation 6.
|
|
0.000e+00 Solution 10 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.798e-02 4.798e-02 9.997e-01 0.000
|
|
NaX 1.662e-05 1.662e-05 3.462e-04 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.177e-02 2.177e-02
|
|
Cl 1.765e-03 1.765e-03
|
|
K 2.352e-02 2.352e-02
|
|
Na 7.034e-06 7.034e-06
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.061 Charge balance
|
|
pe = 14.419 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1773
|
|
Density (g/cm³) = 1.00186
|
|
Volume (L) = 1.00086
|
|
Viscosity (mPa s) = 1.78288
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.353e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.253e-08
|
|
Temperature (°C) = 0.08
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.795e-08 8.690e-08 -7.009 -7.061 -0.052 0.00
|
|
OH- 1.547e-08 1.335e-08 -7.810 -7.875 -0.064 -6.04
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.177e-02
|
|
Br- 2.177e-02 1.872e-02 -1.662 -1.728 -0.066 22.50
|
|
Cl 1.765e-03
|
|
Cl- 1.765e-03 1.526e-03 -2.753 -2.817 -0.063 16.54
|
|
HCl 5.210e-11 5.331e-11 -10.283 -10.273 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -45.994 -45.992 0.002 28.65
|
|
K 2.352e-02
|
|
K+ 2.352e-02 2.031e-02 -1.628 -1.692 -0.064 7.84
|
|
Na 7.034e-06
|
|
Na+ 7.034e-06 6.117e-06 -5.153 -5.213 -0.061 -3.33
|
|
O(0) 1.331e-09
|
|
O2 6.656e-10 6.693e-10 -9.177 -9.174 0.002 27.50
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -42.98 -45.99 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -9.58 -8.03 1.55 NaCl
|
|
O2(g) -6.51 -9.17 -2.66 O2
|
|
Sylvite -5.27 -4.51 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
Using mix 10.
|
|
Using exchange 10. Exchange assemblage after simulation 6.
|
|
|
|
Mixture 10.
|
|
|
|
0.000e+00 Solution 9 Solution after simulation 6.
|
|
1.000e+00 Solution 10 Solution after simulation 6.
|
|
0.000e+00 Solution 11 Solution after simulation 6.
|
|
|
|
-----------------------------Exchange composition------------------------------
|
|
|
|
X 4.800e-02 mol
|
|
|
|
Equiv- Equivalent Log
|
|
Species Moles alents Fraction Gamma
|
|
|
|
KX 4.800e-02 4.800e-02 9.999e-01 0.000
|
|
NaX 4.922e-06 4.922e-06 1.025e-04 -0.061
|
|
|
|
-----------------------------Solution composition------------------------------
|
|
|
|
Elements Molality Moles
|
|
|
|
Br 2.225e-02 2.225e-02
|
|
Cl 1.383e-03 1.383e-03
|
|
K 2.363e-02 2.363e-02
|
|
Na 2.092e-06 2.092e-06
|
|
|
|
----------------------------Description of solution----------------------------
|
|
|
|
pH = 7.060 Charge balance
|
|
pe = 14.430 Adjusted to redox equilibrium
|
|
Specific Conductance (µS/cm, 0°C) = 1778
|
|
Density (g/cm³) = 1.00188
|
|
Volume (L) = 1.00087
|
|
Viscosity (mPa s) = 1.78568
|
|
Activity of water = 0.999
|
|
Ionic strength (mol/kgw) = 2.363e-02
|
|
Mass of water (kg) = 1.000e+00
|
|
Total alkalinity (eq/kg) = -8.279e-08
|
|
Temperature (°C) = 0.03
|
|
Electrical balance (eq) = 9.945e-08
|
|
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
|
Iterations = 3
|
|
Total H = 1.110124e+02
|
|
Total O = 5.550622e+01
|
|
|
|
----------------------------Distribution of species----------------------------
|
|
|
|
Log Log Log mole V
|
|
Species Molality Activity Molality Activity Gamma cm³/mol
|
|
|
|
H+ 9.813e-08 8.704e-08 -7.008 -7.060 -0.052 0.00
|
|
OH- 1.538e-08 1.327e-08 -7.813 -7.877 -0.064 -6.05
|
|
H2O 5.551e+01 9.992e-01 1.744 -0.000 0.000 18.02
|
|
Br 2.225e-02
|
|
Br- 2.225e-02 1.913e-02 -1.653 -1.718 -0.066 22.49
|
|
Cl 1.383e-03
|
|
Cl- 1.383e-03 1.195e-03 -2.859 -2.923 -0.063 16.54
|
|
HCl 4.088e-11 4.184e-11 -10.388 -10.378 0.010 (0)
|
|
H(0) 0.000e+00
|
|
H2 0.000e+00 0.000e+00 -46.015 -46.012 0.002 28.65
|
|
K 2.363e-02
|
|
K+ 2.363e-02 2.040e-02 -1.627 -1.690 -0.064 7.84
|
|
Na 2.092e-06
|
|
Na+ 2.092e-06 1.819e-06 -5.680 -5.740 -0.061 -3.34
|
|
O(0) 1.407e-09
|
|
O2 7.033e-10 7.071e-10 -9.153 -9.151 0.002 27.49
|
|
|
|
------------------------------Saturation indices-------------------------------
|
|
|
|
Phase SI** log IAP log K(273 K, 1 atm)
|
|
|
|
H2(g) -43.00 -46.01 -3.01 H2
|
|
H2O(g) -2.21 -0.00 2.21 H2O
|
|
Halite -10.21 -8.66 1.55 NaCl
|
|
O2(g) -6.49 -9.15 -2.66 O2
|
|
Sylvite -5.38 -4.61 0.76 KCl
|
|
|
|
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
|
For ideal gases, phi = 1.
|
|
|
|
------------------
|
|
End of simulation.
|
|
------------------
|
|
|
|
------------------------------------
|
|
Reading input data for simulation 7.
|
|
------------------------------------
|
|
|
|
-------------------------------
|
|
End of Run after 0.327 Seconds.
|
|
-------------------------------
|
|
|