max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity
iphreeqc/ex6.out
David L Parkhurst b7ab869a13 Tony changed the properties of water, I think in utilities.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6632 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-06-06 00:14:27 +00:00

3814 lines
164 KiB
Plaintext
Raw Blame History

Input file: ../examples/ex6
Output file: ex6.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 6A.--React to phase boundaries.
SOLUTION 1 PURE WATER
pH 7.0 charge
temp 25.0
PHASES
Gibbsite
Al(OH)3 + 3 H+ = Al+3 + 3 H2O
log_k 8.049
delta_h -22.792 kcal
Kaolinite
Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
log_k 5.708
delta_h -35.306 kcal
K-mica
KAl3Si3O10(OH)2 + 10 H+ = 3 Al+3 + 3 H4SiO4 + K+
log_k 12.970
delta_h -59.377 kcal
K-feldspar
KAlSi3O8 + 4 H2O + 4 H+ = Al+3 + 3 H4SiO4 + K+
log_k 0.875
delta_h -12.467 kcal
SELECTED_OUTPUT
file ex6A-B.sel
activities K+ H+ H4SiO4
si Gibbsite Kaolinite K-mica K-feldspar
equilibrium_phases Gibbsite Kaolinite K-mica K-feldspar
END
-----
TITLE
-----
Example 6A.--React to phase boundaries.
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. PURE WATER
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.310e-18
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.310e-18
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
OH- 1.001e-07 1.001e-07 -6.999 -7.000 -0.000 -4.11
H+ 1.001e-07 1.001e-07 -6.999 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 1.419e-25
H2 7.095e-26 7.095e-26 -25.149 -25.149 0.000 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.082 -42.082 0.000 30.40
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
TITLE Example 6A1.--Find amount of K-feldspar dissolved to
reach gibbsite saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 KAlSi3O8 10.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
USER_GRAPH 1 Example 6
-headings 6A--Intersections
-chart_title "K-Feldspar Reaction Path"
-axis_titles "Log[H4SiO4]" "Log([K+] / [H+])"
-axis_scale x_axis -8.0 0.0 1 1
-axis_scale y_axis -1.0 8.0 1 1
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Red, line_w = 0, symbol = Circle, symbol_size = 10
END
-----
TITLE
-----
Example 6A1.--Find amount of K-feldspar dissolved to
reach gibbsite saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.670e-08
K-feldspar -14.69 -13.81 0.88 0.000e+00 0 0.000e+00
K-mica -10.68 2.29 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.670e-08 2.670e-08
K 2.670e-08 2.670e-08
Si 8.009e-08 8.009e-08
----------------------------Description of solution----------------------------
pH = 7.006 Charge balance
pe = 10.389 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.263e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.068e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.556e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.016e-07 1.016e-07 -6.993 -6.993 -0.000 -4.11
H+ 9.870e-08 9.866e-08 -7.006 -7.006 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.670e-08
Al(OH)4- 2.454e-08 2.453e-08 -7.610 -7.610 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.602e-10 8.599e-10 -9.065 -9.066 -0.000 (0)
AlOH+2 1.084e-11 1.082e-11 -10.965 -10.966 -0.001 -27.81
Al+3 1.079e-13 1.075e-13 -12.967 -12.969 -0.002 -44.55
H(0) 2.298e-38
H2 1.149e-38 1.149e-38 -37.940 -37.940 0.000 28.61
K 2.670e-08
K+ 2.670e-08 2.668e-08 -7.574 -7.574 -0.000 8.90
KOH 9.378e-16 9.378e-16 -15.028 -15.028 0.000 (0)
O(0) 6.313e-17
O2 3.157e-17 3.157e-17 -16.501 -16.501 0.000 30.40
Si 8.009e-08
H4SiO4 7.997e-08 7.997e-08 -7.097 -7.097 0.000 52.08
H3SiO4- 1.196e-10 1.195e-10 -9.922 -9.923 -0.000 27.94
H2SiO4-2 8.253e-17 8.240e-17 -16.083 -16.084 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.55 -7.10 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -34.84 -37.94 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -14.69 -13.81 0.88 KAlSi3O8
K-mica -10.68 2.29 12.97 KAl3Si3O10(OH)2
Kaolinite -3.80 1.90 5.71 Al2Si2O5(OH)4
O2(g) -13.61 -16.50 -2.89 O2
Quartz -3.12 -7.10 -3.98 SiO2
SiO2(a) -4.39 -7.10 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 3.
------------------------------------
TITLE Example 6A2.--Find amount of K-feldspar dissolved to
reach kaolinite saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 KAlSi3O8 10.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
END
-----
TITLE
-----
Example 6A2.--Find amount of K-feldspar dissolved to
reach kaolinite saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.782e-06 1.782e-06
K-feldspar -5.86 -4.99 0.88 0.000e+00 0 0.000e+00
K-mica -1.86 11.11 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.965e-07 3.965e-07
K 2.179e-06 2.179e-06
Si 6.536e-06 6.536e-06
----------------------------Description of solution----------------------------
pH = 8.212 Charge balance
pe = 9.183 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.185e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.368e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.344e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.636e-06 1.633e-06 -5.786 -5.787 -0.001 -4.11
H+ 6.146e-09 6.136e-09 -8.211 -8.212 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.965e-07
Al(OH)4- 3.951e-07 3.944e-07 -6.403 -6.404 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.357e-11 5.347e-11 -10.271 -10.272 -0.001 (0)
AlOH+2 4.216e-14 4.186e-14 -13.375 -13.378 -0.003 -27.80
Al+3 2.627e-17 2.586e-17 -16.581 -16.587 -0.007 -44.54
H(0) 2.300e-38
H2 1.150e-38 1.150e-38 -37.939 -37.939 0.000 28.61
K 2.179e-06
K+ 2.179e-06 2.175e-06 -5.662 -5.663 -0.001 8.90
KOH 1.229e-12 1.229e-12 -11.910 -11.910 0.000 (0)
O(0) 6.304e-17
O2 3.152e-17 3.152e-17 -16.501 -16.501 0.000 30.40
Si 6.536e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 1.536e-07 1.534e-07 -6.813 -6.814 -0.001 27.95
H2SiO4-2 1.712e-12 1.700e-12 -11.766 -11.769 -0.003 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -34.84 -37.94 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.86 -4.99 0.88 KAlSi3O8
K-mica -1.86 11.11 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.61 -16.50 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
TITLE Example 6A3.--Find amount of K-feldspar dissolved to
reach K-mica saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 KAlSi3O8 10.0
K-feldspar 0.0 0.0
END
-----
TITLE
-----
Example 6A3.--Find amount of K-feldspar dissolved to
reach K-mica saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.73 7.32 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.55 -1.67 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.002e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 9.720e-06 9.720e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.846e-07 5.846e-07
K 2.002e-05 2.002e-05
Si 4.063e-05 4.063e-05
----------------------------Description of solution----------------------------
pH = 9.109 Charge balance
pe = 8.286 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 4
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.003e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.178e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 1.199e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550629e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.294e-05 1.287e-05 -4.888 -4.890 -0.002 -4.11
H+ 7.826e-10 7.785e-10 -9.106 -9.109 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.846e-07
Al(OH)4- 5.843e-07 5.813e-07 -6.233 -6.236 -0.002 (0)
Al(OH)3 2.401e-10 2.401e-10 -9.620 -9.620 0.000 (0)
Al(OH)2+ 1.275e-12 1.269e-12 -11.894 -11.897 -0.002 (0)
AlOH+2 1.287e-16 1.260e-16 -15.890 -15.900 -0.009 -27.79
Al+3 1.035e-20 9.878e-21 -19.985 -20.005 -0.020 -44.52
H(0) 2.300e-38
H2 1.150e-38 1.150e-38 -37.939 -37.939 0.000 28.61
K 2.002e-05
K+ 2.002e-05 1.992e-05 -4.698 -4.701 -0.002 8.91
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000 (0)
O(0) 6.303e-17
O2 3.152e-17 3.152e-17 -16.501 -16.501 0.000 30.40
Si 4.063e-05
H4SiO4 3.413e-05 3.413e-05 -4.467 -4.467 0.000 52.08
H3SiO4- 6.499e-06 6.465e-06 -5.187 -5.189 -0.002 27.95
H2SiO4-2 5.768e-10 5.648e-10 -9.239 -9.248 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3
Chalcedony -0.92 -4.47 -3.55 SiO2
Gibbsite -0.73 7.32 8.05 Al(OH)3
H2(g) -34.84 -37.94 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.55 -1.67 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.61 -16.50 -2.89 O2
Quartz -0.49 -4.47 -3.98 SiO2
SiO2(a) -1.76 -4.47 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
TITLE Example 6A4.--Find amount of K-feldspar dissolved to
reach K-feldspar saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 KAlSi3O8 10.0
END
-----
TITLE
-----
Example 6A4.--Find amount of K-feldspar dissolved to
reach K-feldspar saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar 0.00 0.88 0.88
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
K-mica -0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.988e-08 5.988e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 8.006 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.159e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.488e-05 2.455e-05 -4.604 -4.610 -0.006 -4.10
H+ 4.134e-10 4.082e-10 -9.384 -9.389 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.988e-08
Al(OH)4- 5.987e-08 5.909e-08 -7.223 -7.228 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.591e-14 3.545e-14 -13.445 -13.450 -0.006 (0)
AlOH+2 1.945e-18 1.846e-18 -17.711 -17.734 -0.023 -27.77
Al+3 8.514e-23 7.586e-23 -22.070 -22.120 -0.050 -44.46
H(0) 2.298e-38
H2 1.149e-38 1.149e-38 -37.940 -37.940 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.91
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000 (0)
O(0) 6.313e-17
O2 3.156e-17 3.157e-17 -16.501 -16.501 0.000 30.40
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000 52.08
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006 27.95
H2SiO4-2 1.773e-08 1.683e-08 -7.751 -7.774 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -34.84 -37.94 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -13.61 -16.50 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
TITLE Example 6A5.--Find point with kaolinite present,
but no gibbsite.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 KAlSi3O8 10.0
Kaolinite 0.0 1.0
END
-----
TITLE
-----
Example 6A5.--Find point with kaolinite present,
but no gibbsite.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06
Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.489e-07 5.489e-07
K 3.023e-06 3.023e-06
Si 6.596e-06 6.596e-06
----------------------------Description of solution----------------------------
pH = 8.354 Charge balance
pe = 9.041 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.028e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.670e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.189e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.267e-06 2.263e-06 -5.644 -5.645 -0.001 -4.11
H+ 4.438e-09 4.429e-09 -8.353 -8.354 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.489e-07
Al(OH)4- 5.475e-07 5.464e-07 -6.262 -6.262 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.868e-11 3.860e-11 -10.413 -10.413 -0.001 (0)
AlOH+2 2.199e-14 2.181e-14 -13.658 -13.661 -0.004 -27.80
Al+3 9.906e-18 9.727e-18 -17.004 -17.012 -0.008 -44.54
H(0) 2.300e-38
H2 1.150e-38 1.150e-38 -37.939 -37.939 0.000 28.61
K 3.023e-06
K+ 3.023e-06 3.017e-06 -5.520 -5.520 -0.001 8.90
KOH 2.362e-12 2.362e-12 -11.627 -11.627 0.000 (0)
O(0) 6.304e-17
O2 3.152e-17 3.152e-17 -16.501 -16.501 0.000 30.40
Si 6.596e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 2.129e-07 2.125e-07 -6.672 -6.673 -0.001 27.95
H2SiO4-2 3.290e-12 3.263e-12 -11.483 -11.486 -0.004 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -34.84 -37.94 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.58 -4.70 0.88 KAlSi3O8
K-mica -1.57 11.40 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.61 -16.50 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 7.
------------------------------------
TITLE Example 6A6.--Find point with K-mica present,
but no kaolinite
USE solution 1
EQUILIBRIUM_PHASES 1
Kaolinite 0.0 KAlSi3O8 10.0
K-mica 0.0 1.0
END
-----
TITLE
-----
Example 6A6.--Find point with K-mica present,
but no kaolinite
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
K-mica -0.00 12.97 12.97 1.000e+00 1.000e+00 1.079e-05
Kaolinite -0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.270e-05
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.260e-07 3.260e-07
K 2.191e-05 2.191e-05
Si 6.572e-05 6.572e-05
----------------------------Description of solution----------------------------
pH = 9.070 Charge balance
pe = -3.259 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.191e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.288e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.772e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550635e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.183e-05 1.177e-05 -4.927 -4.929 -0.002 -4.11
H+ 8.561e-10 8.515e-10 -9.067 -9.070 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.260e-07
Al(OH)4- 3.259e-07 3.241e-07 -6.487 -6.489 -0.002 (0)
Al(OH)3 1.464e-10 1.464e-10 -9.834 -9.834 0.000 (0)
Al(OH)2+ 8.509e-13 8.462e-13 -12.070 -12.073 -0.002 (0)
AlOH+2 9.397e-17 9.194e-17 -16.027 -16.037 -0.009 -27.79
Al+3 8.276e-21 7.881e-21 -20.082 -20.103 -0.021 -44.52
H(0) 3.377e-15
H2 1.689e-15 1.689e-15 -14.772 -14.772 0.000 28.61
K 2.191e-05
K+ 2.191e-05 2.179e-05 -4.659 -4.662 -0.002 8.91
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.835 -62.835 0.000 30.40
Si 6.572e-05
H4SiO4 5.597e-05 5.597e-05 -4.252 -4.252 0.000 52.08
H3SiO4- 9.745e-06 9.692e-06 -5.011 -5.014 -0.002 27.95
H2SiO4-2 7.914e-10 7.743e-10 -9.102 -9.111 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.69 7.11 10.80 Al(OH)3
Chalcedony -0.70 -4.25 -3.55 SiO2
Gibbsite -0.94 7.11 8.05 Al(OH)3
H2(g) -11.67 -14.77 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.12 -1.24 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -59.94 -62.84 -2.89 O2
Quartz -0.27 -4.25 -3.98 SiO2
SiO2(a) -1.54 -4.25 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 8.
------------------------------------
TITLE Example 6B.--Path between phase boundaries.
USE solution 1
EQUILIBRIUM_PHASES 1
Kaolinite 0.0 0.0
Gibbsite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
REACTION 1
K-feldspar 1.0
0.04 0.08 0.16 0.32 0.64 1.0 2.0 4.0
8.0 16.0 32.0 64.0 100 200 umol
USER_GRAPH
-headings 6B--Increments
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 0, symbol = XCross, symbol_size = 7
END
-----
TITLE
-----
Example 6B.--Path between phase boundaries.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e-08 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.188e-08 1.188e-08
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00
K-mica -9.95 3.02 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.812e-08 2.812e-08
K 4.000e-08 4.000e-08
Si 1.200e-07 1.200e-07
----------------------------Description of solution----------------------------
pH = 7.031 Charge balance
pe = -1.251 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.339e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.244e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.310e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.077e-07 1.077e-07 -6.968 -6.968 -0.000 -4.11
H+ 9.311e-08 9.307e-08 -7.031 -7.031 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.812e-08
Al(OH)4- 2.602e-08 2.600e-08 -7.585 -7.585 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.114e-10 8.111e-10 -9.091 -9.091 -0.000 (0)
AlOH+2 9.648e-12 9.631e-12 -11.016 -11.016 -0.001 -27.81
Al+3 9.059e-14 9.024e-14 -13.043 -13.045 -0.002 -44.55
H(0) 3.896e-15
H2 1.948e-15 1.948e-15 -14.710 -14.710 0.000 28.61
K 4.000e-08
K+ 4.000e-08 3.998e-08 -7.398 -7.398 -0.000 8.90
KOH 1.490e-15 1.490e-15 -14.827 -14.827 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.959 -62.959 0.000 30.40
Si 1.200e-07
H4SiO4 1.198e-07 1.198e-07 -6.922 -6.922 0.000 52.08
H3SiO4- 1.899e-10 1.898e-10 -9.721 -9.722 -0.000 27.94
H2SiO4-2 1.390e-16 1.387e-16 -15.857 -15.858 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.37 -6.92 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -11.61 -14.71 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -13.96 -13.08 0.88 KAlSi3O8
K-mica -9.95 3.02 12.97 KAl3Si3O10(OH)2
Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4
O2(g) -60.07 -62.96 -2.89 O2
Quartz -2.94 -6.92 -3.98 SiO2
SiO2(a) -4.21 -6.92 -2.71 SiO2
Reaction step 2.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
8.000e-08 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 4.715e-08 4.715e-08
K-feldspar -12.68 -11.80 0.88 0.000e+00 0 0.000e+00
K-mica -8.68 4.29 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.285e-08 3.285e-08
K 8.000e-08 8.000e-08
Si 2.400e-07 2.400e-07
----------------------------Description of solution----------------------------
pH = 7.106 Charge balance
pe = 10.717 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.592e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.785e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.310e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.278e-07 1.278e-07 -6.893 -6.894 -0.000 -4.11
H+ 7.847e-08 7.843e-08 -7.105 -7.106 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.285e-08
Al(OH)4- 3.087e-08 3.086e-08 -7.510 -7.511 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 6.839e-10 6.835e-10 -9.165 -9.165 -0.000 (0)
AlOH+2 6.853e-12 6.840e-12 -11.164 -11.165 -0.001 -27.81
Al+3 5.424e-14 5.401e-14 -13.266 -13.268 -0.002 -44.55
H(0) 3.202e-39
H2 1.601e-39 1.601e-39 -38.796 -38.796 0.000 28.61
K 8.000e-08
K+ 8.000e-08 7.996e-08 -7.097 -7.097 -0.000 8.90
KOH 3.535e-15 3.535e-15 -14.452 -14.452 0.000 (0)
O(0) 3.253e-15
O2 1.626e-15 1.626e-15 -14.789 -14.789 0.000 30.40
Si 2.400e-07
H4SiO4 2.395e-07 2.395e-07 -6.621 -6.621 0.000 52.08
H3SiO4- 4.506e-10 4.504e-10 -9.346 -9.346 -0.000 27.94
H2SiO4-2 3.913e-16 3.906e-16 -15.407 -15.408 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.07 -6.62 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -35.69 -38.80 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -12.68 -11.80 0.88 KAlSi3O8
K-mica -8.68 4.29 12.97 KAl3Si3O10(OH)2
Kaolinite -2.85 2.86 5.71 Al2Si2O5(OH)4
O2(g) -11.90 -14.79 -2.89 O2
Quartz -2.64 -6.62 -3.98 SiO2
SiO2(a) -3.91 -6.62 -2.71 SiO2
Reaction step 3.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.600e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 1.161e-07 1.161e-07
K-feldspar -11.34 -10.47 0.88 0.000e+00 0 0.000e+00
K-mica -7.34 5.63 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 4.395e-08 4.395e-08
K 1.600e-07 1.600e-07
Si 4.800e-07 4.800e-07
----------------------------Description of solution----------------------------
pH = 7.241 Charge balance
pe = -1.231 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.180e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.918e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.036e-15
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
OH- 1.746e-07 1.745e-07 -6.758 -6.758 -0.000 -4.11
H+ 5.747e-08 5.744e-08 -7.241 -7.241 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 4.395e-08
Al(OH)4- 4.216e-08 4.214e-08 -7.375 -7.375 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.008e-10 5.006e-10 -9.300 -9.301 -0.000 (0)
AlOH+2 3.676e-12 3.668e-12 -11.435 -11.436 -0.001 -27.81
Al+3 2.132e-14 2.121e-14 -13.671 -13.673 -0.002 -44.55
H(0) 1.354e-15
H2 6.769e-16 6.769e-16 -15.169 -15.169 0.000 28.61
K 1.600e-07
K+ 1.600e-07 1.599e-07 -6.796 -6.796 -0.000 8.90
KOH 9.654e-15 9.654e-15 -14.015 -14.015 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.041 -62.041 0.000 30.40
Si 4.800e-07
H4SiO4 4.788e-07 4.788e-07 -6.320 -6.320 0.000 52.08
H3SiO4- 1.230e-09 1.229e-09 -8.910 -8.910 -0.000 27.94
H2SiO4-2 1.459e-15 1.456e-15 -14.836 -14.837 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.77 -6.32 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -12.07 -15.17 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -11.34 -10.47 0.88 KAlSi3O8
K-mica -7.34 5.63 12.97 KAl3Si3O10(OH)2
Kaolinite -2.25 3.46 5.71 Al2Si2O5(OH)4
O2(g) -59.15 -62.04 -2.89 O2
Quartz -2.34 -6.32 -3.98 SiO2
SiO2(a) -3.61 -6.32 -2.71 SiO2
Reaction step 4.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.200e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 2.500e-07 2.500e-07
K-feldspar -9.93 -9.05 0.88 0.000e+00 0 0.000e+00
K-mica -5.93 7.04 12.97 0.000e+00 0 0.000e+00
Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 7.001e-08 7.001e-08
K 3.200e-07 3.200e-07
Si 9.600e-07 9.600e-07
----------------------------Description of solution----------------------------
pH = 7.451 Charge balance
pe = -1.591 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.557e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.300e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.326e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.833e-07 2.831e-07 -6.548 -6.548 -0.000 -4.11
H+ 3.542e-08 3.540e-08 -7.451 -7.451 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 7.001e-08
Al(OH)4- 6.842e-08 6.837e-08 -7.165 -7.165 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.087e-10 3.085e-10 -9.510 -9.511 -0.000 (0)
AlOH+2 1.397e-12 1.393e-12 -11.855 -11.856 -0.001 -27.81
Al+3 4.996e-15 4.965e-15 -14.301 -14.304 -0.003 -44.55
H(0) 2.701e-15
H2 1.351e-15 1.351e-15 -14.869 -14.869 0.000 28.61
K 3.200e-07
K+ 3.200e-07 3.198e-07 -6.495 -6.495 -0.000 8.90
KOH 3.132e-14 3.132e-14 -13.504 -13.504 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.641 -62.641 0.000 30.40
Si 9.600e-07
H4SiO4 9.560e-07 9.560e-07 -6.020 -6.020 0.000 52.08
H3SiO4- 3.985e-09 3.982e-09 -8.400 -8.400 -0.000 27.94
H2SiO4-2 7.674e-15 7.653e-15 -14.115 -14.116 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.47 -6.02 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -11.77 -14.87 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -9.93 -9.05 0.88 KAlSi3O8
K-mica -5.93 7.04 12.97 KAl3Si3O10(OH)2
Kaolinite -1.65 4.06 5.71 Al2Si2O5(OH)4
O2(g) -59.75 -62.64 -2.89 O2
Quartz -2.04 -6.02 -3.98 SiO2
SiO2(a) -3.31 -6.02 -2.71 SiO2
Reaction step 5.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
6.400e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 5.131e-07 5.131e-07
K-feldspar -8.47 -7.59 0.88 0.000e+00 0 0.000e+00
K-mica -4.46 8.51 12.97 0.000e+00 0 0.000e+00
Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.269e-07 1.269e-07
K 6.400e-07 6.400e-07
Si 1.920e-06 1.920e-06
----------------------------Description of solution----------------------------
pH = 7.714 Charge balance
pe = -2.005 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 6.595e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.021e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.159e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.195e-07 5.190e-07 -6.284 -6.285 -0.000 -4.11
H+ 1.933e-08 1.931e-08 -7.714 -7.714 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.269e-07
Al(OH)4- 1.254e-07 1.253e-07 -6.902 -6.902 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.685e-10 1.683e-10 -9.774 -9.774 -0.000 (0)
AlOH+2 4.162e-13 4.147e-13 -12.381 -12.382 -0.002 -27.81
Al+3 8.130e-16 8.061e-16 -15.090 -15.094 -0.004 -44.55
H(0) 5.396e-15
H2 2.698e-15 2.698e-15 -14.569 -14.569 0.000 28.61
K 6.400e-07
K+ 6.400e-07 6.394e-07 -6.194 -6.194 -0.000 8.90
KOH 1.148e-13 1.148e-13 -12.940 -12.940 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.242 -63.242 0.000 30.40
Si 1.920e-06
H4SiO4 1.905e-06 1.905e-06 -5.720 -5.720 0.000 52.08
H3SiO4- 1.456e-08 1.455e-08 -7.837 -7.837 -0.000 27.94
H2SiO4-2 5.145e-14 5.125e-14 -13.289 -13.290 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.17 -5.72 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -11.47 -14.57 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -8.47 -7.59 0.88 KAlSi3O8
K-mica -4.46 8.51 12.97 KAl3Si3O10(OH)2
Kaolinite -1.05 4.66 5.71 Al2Si2O5(OH)4
O2(g) -60.35 -63.24 -2.89 O2
Quartz -1.74 -5.72 -3.98 SiO2
SiO2(a) -3.01 -5.72 -2.71 SiO2
Reaction step 6.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 8.083e-07 8.083e-07
K-feldspar -7.52 -6.64 0.88 0.000e+00 0 0.000e+00
K-mica -3.51 9.46 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.917e-07 1.917e-07
K 1.000e-06 1.000e-06
Si 3.000e-06 3.000e-06
----------------------------Description of solution----------------------------
pH = 7.895 Charge balance
pe = 9.811 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.013e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.575e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.646e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.881e-07 7.872e-07 -6.103 -6.104 -0.001 -4.11
H+ 1.275e-08 1.273e-08 -7.895 -7.895 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.917e-07
Al(OH)4- 1.903e-07 1.901e-07 -6.721 -6.721 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.111e-10 1.110e-10 -9.954 -9.955 -0.001 (0)
AlOH+2 1.811e-13 1.802e-13 -12.742 -12.744 -0.002 -27.81
Al+3 2.335e-16 2.310e-16 -15.632 -15.636 -0.005 -44.55
H(0) 5.469e-39
H2 2.734e-39 2.734e-39 -38.563 -38.563 0.000 28.61
K 1.000e-06
K+ 1.000e-06 9.988e-07 -6.000 -6.001 -0.001 8.90
KOH 2.720e-13 2.720e-13 -12.565 -12.565 0.000 (0)
O(0) 1.115e-15
O2 5.575e-16 5.575e-16 -15.254 -15.254 0.000 30.40
Si 3.000e-06
H4SiO4 2.966e-06 2.966e-06 -5.528 -5.528 0.000 52.08
H3SiO4- 3.439e-08 3.435e-08 -7.464 -7.464 -0.001 27.94
H2SiO4-2 1.844e-13 1.835e-13 -12.734 -12.736 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.98 -5.53 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -35.46 -38.56 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -7.52 -6.64 0.88 KAlSi3O8
K-mica -3.51 9.46 12.97 KAl3Si3O10(OH)2
Kaolinite -0.67 5.04 5.71 Al2Si2O5(OH)4
O2(g) -12.36 -15.25 -2.89 O2
Quartz -1.55 -5.53 -3.98 SiO2
SiO2(a) -2.82 -5.53 -2.71 SiO2
Reaction step 7.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.634e-06 1.634e-06
K-feldspar -6.04 -5.17 0.88 0.000e+00 0 0.000e+00
K-mica -2.04 10.93 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.663e-07 3.663e-07
K 2.000e-06 2.000e-06
Si 6.000e-06 6.000e-06
----------------------------Description of solution----------------------------
pH = 8.178 Charge balance
pe = 9.604 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.007e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.099e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.274e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.511e-06 1.509e-06 -5.821 -5.821 -0.001 -4.11
H+ 6.654e-09 6.643e-09 -8.177 -8.178 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.663e-07
Al(OH)4- 3.649e-07 3.643e-07 -6.438 -6.438 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.799e-11 5.789e-11 -10.237 -10.237 -0.001 (0)
AlOH+2 4.939e-14 4.906e-14 -13.306 -13.309 -0.003 -27.80
Al+3 3.330e-17 3.281e-17 -16.478 -16.484 -0.006 -44.54
H(0) 3.864e-39
H2 1.932e-39 1.932e-39 -38.714 -38.714 0.000 28.61
K 2.000e-06
K+ 2.000e-06 1.997e-06 -5.699 -5.700 -0.001 8.90
KOH 1.042e-12 1.042e-12 -11.982 -11.982 0.000 (0)
O(0) 2.233e-15
O2 1.117e-15 1.117e-15 -14.952 -14.952 0.000 30.40
Si 6.000e-06
H4SiO4 5.869e-06 5.869e-06 -5.231 -5.231 0.000 52.08
H3SiO4- 1.305e-07 1.303e-07 -6.884 -6.885 -0.001 27.95
H2SiO4-2 1.343e-12 1.334e-12 -11.872 -11.875 -0.003 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.68 -5.23 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -35.61 -38.71 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -6.04 -5.17 0.88 KAlSi3O8
K-mica -2.04 10.93 12.97 KAl3Si3O10(OH)2
Kaolinite -0.07 5.64 5.71 Al2Si2O5(OH)4
O2(g) -12.06 -14.95 -2.89 O2
Quartz -1.25 -5.23 -3.98 SiO2
SiO2(a) -2.52 -5.23 -2.71 SiO2
Reaction step 8.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
4.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.11 7.94 8.05 0.000e+00 0 0.000e+00
K-feldspar -5.11 -4.23 0.88 0.000e+00 0 0.000e+00
K-mica -1.32 11.65 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.00 5.71 5.71 0.000e+00 1.712e-06 1.712e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.756e-07 5.756e-07
K 4.000e-06 4.000e-06
Si 8.576e-06 8.576e-06
----------------------------Description of solution----------------------------
pH = 8.484 Charge balance
pe = -2.769 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 4.003e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.727e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -8.815e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.059e-06 3.052e-06 -5.514 -5.515 -0.001 -4.11
H+ 3.291e-09 3.284e-09 -8.483 -8.484 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.756e-07
Al(OH)4- 5.746e-07 5.733e-07 -6.241 -6.242 -0.001 (0)
Al(OH)3 9.987e-10 9.987e-10 -9.001 -9.001 0.000 (0)
Al(OH)2+ 2.231e-11 2.226e-11 -10.652 -10.653 -0.001 (0)
AlOH+2 9.413e-15 9.325e-15 -14.026 -14.030 -0.004 -27.80
Al+3 3.148e-18 3.083e-18 -17.502 -17.511 -0.009 -44.54
H(0) 5.271e-15
H2 2.636e-15 2.636e-15 -14.579 -14.579 0.000 28.61
K 4.000e-06
K+ 4.000e-06 3.991e-06 -5.398 -5.399 -0.001 8.90
KOH 4.214e-12 4.214e-12 -11.375 -11.375 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.222 -63.222 0.000 30.40
Si 8.576e-06
H4SiO4 8.206e-06 8.206e-06 -5.086 -5.086 0.000 52.08
H3SiO4- 3.694e-07 3.685e-07 -6.433 -6.434 -0.001 27.95
H2SiO4-2 7.706e-12 7.634e-12 -11.113 -11.117 -0.004 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3
Chalcedony -1.53 -5.09 -3.55 SiO2
Gibbsite -0.11 7.94 8.05 Al(OH)3
H2(g) -11.48 -14.58 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.11 -4.23 0.88 KAlSi3O8
K-mica -1.32 11.65 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -60.33 -63.22 -2.89 O2
Quartz -1.11 -5.09 -3.98 SiO2
SiO2(a) -2.37 -5.09 -2.71 SiO2
Reaction step 9.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
8.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.38 7.67 8.05 0.000e+00 0 0.000e+00
K-feldspar -3.97 -3.10 0.88 0.000e+00 0 0.000e+00
K-mica -0.73 12.24 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 3.695e-06 3.695e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 6.105e-07 6.105e-07
K 8.000e-06 8.000e-06
Si 1.661e-05 1.661e-05
----------------------------Description of solution----------------------------
pH = 8.778 Charge balance
pe = 8.982 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.002e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.831e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.208e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550625e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.037e-06 6.017e-06 -5.219 -5.221 -0.001 -4.11
H+ 1.671e-09 1.666e-09 -8.777 -8.778 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 6.105e-07
Al(OH)4- 6.099e-07 6.079e-07 -6.215 -6.216 -0.001 (0)
Al(OH)3 5.372e-10 5.372e-10 -9.270 -9.270 0.000 (0)
Al(OH)2+ 6.094e-12 6.074e-12 -11.215 -11.217 -0.001 (0)
AlOH+2 1.308e-15 1.291e-15 -14.883 -14.889 -0.006 -27.80
Al+3 2.230e-19 2.164e-19 -18.652 -18.665 -0.013 -44.53
H(0) 4.261e-39
H2 2.130e-39 2.130e-39 -38.672 -38.672 0.000 28.61
K 8.000e-06
K+ 8.000e-06 7.974e-06 -5.097 -5.098 -0.001 8.90
KOH 1.660e-11 1.660e-11 -10.780 -10.780 0.000 (0)
O(0) 1.837e-15
O2 9.186e-16 9.186e-16 -15.037 -15.037 0.000 30.40
Si 1.661e-05
H4SiO4 1.526e-05 1.526e-05 -4.817 -4.817 0.000 52.08
H3SiO4- 1.355e-06 1.350e-06 -5.868 -5.870 -0.001 27.95
H2SiO4-2 5.588e-11 5.515e-11 -10.253 -10.258 -0.006 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3
Chalcedony -1.27 -4.82 -3.55 SiO2
Gibbsite -0.38 7.67 8.05 Al(OH)3
H2(g) -35.57 -38.67 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.97 -3.10 0.88 KAlSi3O8
K-mica -0.73 12.24 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -12.14 -15.04 -2.89 O2
Quartz -0.84 -4.82 -3.98 SiO2
SiO2(a) -2.10 -4.82 -2.71 SiO2
Reaction step 10.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.600e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.64 7.41 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.89 -2.01 0.88 0.000e+00 0 0.000e+00
K-mica -0.17 12.80 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.00 5.71 5.71 0.000e+00 7.701e-06 7.701e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.982e-07 5.982e-07
K 1.600e-05 1.600e-05
Si 3.260e-05 3.260e-05
----------------------------Description of solution----------------------------
pH = 9.034 Charge balance
pe = -3.377 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.600e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.779e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.287e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.090e-05 1.085e-05 -4.963 -4.965 -0.002 -4.11
H+ 9.282e-10 9.239e-10 -9.032 -9.034 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.982e-07
Al(OH)4- 5.979e-07 5.951e-07 -6.223 -6.225 -0.002 (0)
Al(OH)3 2.917e-10 2.917e-10 -9.535 -9.535 0.000 (0)
Al(OH)2+ 1.838e-12 1.829e-12 -11.736 -11.738 -0.002 (0)
AlOH+2 2.197e-16 2.157e-16 -15.658 -15.666 -0.008 -27.79
Al+3 2.092e-20 2.006e-20 -19.680 -19.698 -0.018 -44.52
H(0) 6.856e-15
H2 3.428e-15 3.428e-15 -14.465 -14.465 0.000 28.61
K 1.600e-05
K+ 1.600e-05 1.593e-05 -4.796 -4.798 -0.002 8.90
KOH 5.976e-11 5.976e-11 -10.224 -10.224 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.450 -63.450 0.000 30.40
Si 3.260e-05
H4SiO4 2.809e-05 2.809e-05 -4.551 -4.551 0.000 52.08
H3SiO4- 4.504e-06 4.483e-06 -5.346 -5.348 -0.002 27.95
H2SiO4-2 3.363e-10 3.301e-10 -9.473 -9.481 -0.008 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3
Chalcedony -1.00 -4.55 -3.55 SiO2
Gibbsite -0.64 7.41 8.05 Al(OH)3
H2(g) -11.36 -14.46 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.89 -2.01 0.88 KAlSi3O8
K-mica -0.17 12.80 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -60.56 -63.45 -2.89 O2
Quartz -0.57 -4.55 -3.98 SiO2
SiO2(a) -1.84 -4.55 -2.71 SiO2
Reaction step 11.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
3.200e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.93 7.12 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.14 -1.26 0.88 0.000e+00 0 0.000e+00
K-mica -0.00 12.97 12.97 0.000e+00 1.020e-05 1.020e-05
Kaolinite -0.00 5.71 5.71 0.000e+00 5.377e-07 5.377e-07
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.348e-07 3.348e-07
K 2.180e-05 2.180e-05
Si 6.433e-05 6.433e-05
----------------------------Description of solution----------------------------
pH = 9.072 Charge balance
pe = 8.474 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.180e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.281e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 5.782e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550635e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.189e-05 1.182e-05 -4.925 -4.927 -0.002 -4.11
H+ 8.521e-10 8.475e-10 -9.069 -9.072 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.348e-07
Al(OH)4- 3.347e-07 3.329e-07 -6.475 -6.478 -0.002 (0)
Al(OH)3 1.497e-10 1.497e-10 -9.825 -9.825 0.000 (0)
Al(OH)2+ 8.657e-13 8.610e-13 -12.063 -12.065 -0.002 (0)
AlOH+2 9.516e-17 9.310e-17 -16.022 -16.031 -0.009 -27.79
Al+3 8.340e-21 7.944e-21 -20.079 -20.100 -0.021 -44.52
H(0) 1.148e-38
H2 5.742e-39 5.742e-39 -38.241 -38.241 0.000 28.61
K 2.180e-05
K+ 2.180e-05 2.168e-05 -4.661 -4.664 -0.002 8.91
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000 (0)
O(0) 2.529e-16
O2 1.264e-16 1.264e-16 -15.898 -15.898 0.000 30.40
Si 6.433e-05
H4SiO4 5.476e-05 5.476e-05 -4.262 -4.262 0.000 52.08
H3SiO4- 9.578e-06 9.526e-06 -5.019 -5.021 -0.002 27.95
H2SiO4-2 7.814e-10 7.646e-10 -9.107 -9.117 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3
Chalcedony -0.71 -4.26 -3.55 SiO2
Gibbsite -0.93 7.12 8.05 Al(OH)3
H2(g) -35.14 -38.24 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.14 -1.26 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.01 -15.90 -2.89 O2
Quartz -0.28 -4.26 -3.98 SiO2
SiO2(a) -1.55 -4.26 -2.71 SiO2
Reaction step 12.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
6.400e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -1.35 6.69 8.05 0.000e+00 0 0.000e+00
K-feldspar -1.29 -0.42 0.88 0.000e+00 0 0.000e+00
K-mica -0.00 12.97 12.97 0.000e+00 2.127e-05 2.127e-05
Kaolinite -0.30 5.41 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.811e-07 1.811e-07
K 4.273e-05 4.273e-05
Si 1.282e-04 1.282e-04
----------------------------Description of solution----------------------------
pH = 9.225 Charge balance
pe = 8.396 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 6
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 4.273e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.327e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.190e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.110124e+02
Total O = 5.550647e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.695e-05 1.682e-05 -4.771 -4.774 -0.003 -4.10
H+ 6.002e-10 5.957e-10 -9.222 -9.225 -0.003 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.811e-07
Al(OH)4- 1.811e-07 1.797e-07 -6.742 -6.745 -0.003 (0)
Al(OH)3 5.680e-11 5.680e-11 -10.246 -10.246 0.000 (0)
Al(OH)2+ 2.314e-13 2.296e-13 -12.636 -12.639 -0.003 (0)
AlOH+2 1.799e-17 1.745e-17 -16.745 -16.758 -0.013 -27.79
Al+3 1.120e-21 1.047e-21 -20.951 -20.980 -0.029 -44.50
H(0) 8.096e-39
H2 4.048e-39 4.048e-39 -38.393 -38.393 0.000 28.61
K 4.273e-05
K+ 4.273e-05 4.240e-05 -4.369 -4.373 -0.003 8.91
KOH 2.468e-10 2.468e-10 -9.608 -9.608 0.000 (0)
O(0) 5.087e-16
O2 2.544e-16 2.544e-16 -15.595 -15.595 0.000 30.40
Si 1.282e-04
H4SiO4 1.026e-04 1.026e-04 -3.989 -3.989 0.000 52.08
H3SiO4- 2.559e-05 2.539e-05 -4.592 -4.595 -0.003 27.95
H2SiO4-2 2.989e-09 2.900e-09 -8.524 -8.538 -0.013 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.11 6.69 10.80 Al(OH)3
Chalcedony -0.44 -3.99 -3.55 SiO2
Gibbsite -1.35 6.69 8.05 Al(OH)3
H2(g) -35.29 -38.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -1.29 -0.42 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.30 5.41 5.71 Al2Si2O5(OH)4
O2(g) -12.70 -15.59 -2.89 O2
Quartz -0.01 -3.99 -3.98 SiO2
SiO2(a) -1.28 -3.99 -2.71 SiO2
Reaction step 13.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
1.000e-04 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -1.62 6.43 8.05 0.000e+00 0 0.000e+00
K-feldspar -0.76 0.11 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 3.329e-05 3.329e-05
Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.178e-07 1.178e-07
K 6.671e-05 6.671e-05
Si 2.001e-04 2.001e-04
----------------------------Description of solution----------------------------
pH = 9.304 Charge balance
pe = -3.515 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 8
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 6.671e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.706e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.220e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.110124e+02
Total O = 5.550662e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.039e-05 2.020e-05 -4.691 -4.695 -0.004 -4.10
H+ 5.008e-10 4.961e-10 -9.300 -9.304 -0.004 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.178e-07
Al(OH)4- 1.178e-07 1.167e-07 -6.929 -6.933 -0.004 (0)
Al(OH)3 3.072e-11 3.072e-11 -10.513 -10.513 0.000 (0)
Al(OH)2+ 1.044e-13 1.035e-13 -12.981 -12.985 -0.004 (0)
AlOH+2 6.802e-18 6.549e-18 -17.167 -17.184 -0.016 -27.78
Al+3 3.559e-22 3.271e-22 -21.449 -21.485 -0.037 -44.49
H(0) 3.737e-15
H2 1.869e-15 1.869e-15 -14.728 -14.728 0.000 28.61
K 6.671e-05
K+ 6.671e-05 6.608e-05 -4.176 -4.180 -0.004 8.91
KOH 4.618e-10 4.618e-10 -9.336 -9.336 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.923 -62.923 0.000 30.40
Si 2.001e-04
H4SiO4 1.539e-04 1.539e-04 -3.813 -3.813 0.000 52.08
H3SiO4- 4.618e-05 4.575e-05 -4.336 -4.340 -0.004 27.95
H2SiO4-2 6.515e-09 6.272e-09 -8.186 -8.203 -0.016 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3
Chalcedony -0.26 -3.81 -3.55 SiO2
Gibbsite -1.62 6.43 8.05 Al(OH)3
H2(g) -11.63 -14.73 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.76 0.11 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.48 5.23 5.71 Al2Si2O5(OH)4
O2(g) -60.03 -62.92 -2.89 O2
Quartz 0.17 -3.81 -3.98 SiO2
SiO2(a) -1.10 -3.81 -2.71 SiO2
Reaction step 14.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
2.000e-04 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar -0.00 0.87 0.88 0.000e+00 9.116e-06 9.116e-06
K-mica -0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.988e-08 5.988e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 8.438 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.659e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.488e-05 2.455e-05 -4.604 -4.610 -0.006 -4.10
H+ 4.134e-10 4.082e-10 -9.384 -9.389 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.988e-08
Al(OH)4- 5.987e-08 5.909e-08 -7.223 -7.228 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.591e-14 3.545e-14 -13.445 -13.450 -0.006 (0)
AlOH+2 1.945e-18 1.846e-18 -17.711 -17.734 -0.023 -27.77
Al+3 8.514e-23 7.586e-23 -22.070 -22.120 -0.050 -44.46
H(0) 3.143e-39
H2 1.572e-39 1.572e-39 -38.804 -38.804 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.91
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000 (0)
O(0) 3.375e-15
O2 1.688e-15 1.688e-15 -14.773 -14.773 0.000 30.40
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000 52.08
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006 27.95
H2SiO4-2 1.773e-08 1.683e-08 -7.751 -7.774 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -35.70 -38.80 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.00 0.87 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -11.88 -14.77 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 9.
------------------------------------
TITLE Example 6C.--kinetic calculation
SOLUTION 1
units mol/kgw
Al 1.e-13
K 1.e-13
Si 3.e-13
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
KINETICS 1
K-feldspar
parms 1.36e-11
m0 2.16
m 1.94
step_divide 1e-6
steps 1e2 1e3 1e4 1e5 1e6 1e7 1e8
INCREMENTAL_REACTIONS true
RATES
K-feldspar
start
10 REM store the initial amount of K-feldspar
20 IF EXISTS(1) = 0 THEN PUT(M, 1)
30 REM calculate moles of reaction
40 SR_kfld = SR("K-feldspar")
50 moles = PARM(1) * (M/M0)^0.67 * (1 - SR_kfld) * TIME
60 REM The following is for printout of phase transitions
80 REM Start Gibbsite
90 if ABS(SI("Gibbsite")) > 1e-3 THEN GOTO 150
100 i = 2
110 GOSUB 1500
150 REM Start Gibbsite -> Kaolinite
160 if ABS(SI("Kaolinite")) > 1e-3 THEN GOTO 200
170 i = 3
180 GOSUB 1500
200 REM End Gibbsite -> Kaolinite
210 if ABS(SI("Kaolinite")) > 1e-3 OR EQUI("Gibbsite") > 0 THEN GOTO 250
220 i = 4
230 GOSUB 1500
250 REM Start Kaolinite -> K-mica
260 if ABS(SI("K-mica")) > 1e-3 THEN GOTO 300
270 i = 5
280 GOSUB 1500
300 REM End Kaolinite -> K-mica
310 if ABS(SI("K-mica")) > 1e-3 OR EQUI("Kaolinite") > 0 THEN GOTO 350
320 i = 6
330 GOSUB 1500
350 REM Start K-mica -> K-feldspar
360 if ABS(SI("K-feldspar")) > 1e-3 THEN GOTO 1000
370 i = 7
380 GOSUB 1500
1000 SAVE moles
1010 END
1500 REM subroutine to store data
1510 if GET(i) >= M THEN RETURN
1520 PUT(M, i)
1530 PUT(TOTAL_TIME, i, 1)
1540 PUT(LA("K+")-LA("H+"), i, 2)
1550 PUT(LA("H4SiO4"), i, 3)
1560 RETURN
end
USER_PRINT
10 DATA "A: Gibbsite ", "B: Gibbsite -> Kaolinite ", "C: Gibbsite -> Kaolinite ", "D: Kaolinite -> K-mica ", "E: Kaolinite -> K-mica ", "F: K-mica -> K-feldspar"
20 PRINT " Transition Time K-feldspar LA(K/H) LA(H4SiO4)"
30 PRINT " reacted"
40 PRINT " (moles)"
50 FOR i = 2 TO 7
60 READ s$
70 IF EXISTS(i) THEN PRINT s$, GET(i,1), GET(1) - GET(i), GET(i,2), GET(i,3)
80 NEXT i
SELECTED_OUTPUT
file ex6C.sel
reset false
USER_PUNCH
headings pH+log[K] log[H4SiO4]
10 PUNCH LA("K+")-LA("H+") LA("H4SiO4")
USER_GRAPH
-headings 6C--Kinetics
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 2, symbol = None
END
-----
TITLE
-----
Example 6C.--kinetic calculation
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.000e-13 1.000e-13
K 1.000e-13 1.000e-13
Si 3.000e-13 3.000e-13
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.211e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.11
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
OH- 1.003e-07 1.002e-07 -6.999 -6.999 -0.000 -4.11
H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.000e-13
Al(OH)4- 9.178e-14 9.175e-14 -13.037 -13.037 -0.000 (0)
Al(OH)3 4.868e-15 4.868e-15 -14.313 -14.313 0.000 (0)
Al(OH)2+ 3.305e-15 3.304e-15 -14.481 -14.481 -0.000 (0)
AlOH+2 4.222e-17 4.215e-17 -16.375 -16.375 -0.001 -27.81
Al+3 4.258e-19 4.244e-19 -18.371 -18.372 -0.001 -44.55
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-13
K+ 1.000e-13 9.996e-14 -13.000 -13.000 -0.000 8.90
KOH 3.466e-21 3.466e-21 -20.460 -20.460 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 3.000e-13
H4SiO4 2.996e-13 2.996e-13 -12.524 -12.524 0.000 52.08
H3SiO4- 4.419e-16 4.417e-16 -15.355 -15.355 -0.000 27.94
H2SiO4-2 3.009e-22 3.005e-22 -21.522 -21.522 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3
Chalcedony -8.97 -12.52 -3.55 SiO2
Gibbsite -5.42 2.63 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -41.82 -40.94 0.88 KAlSi3O8
K-mica -48.66 -35.69 12.97 KAl3Si3O10(OH)2
Kaolinite -25.50 -19.79 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -8.54 -12.52 -3.98 SiO2
SiO2(a) -9.81 -12.52 -2.71 SiO2
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 100 seconds (Incremented time: 100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-09 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -1.32 6.73 8.05 0.000e+00 0 0.000e+00
K-mica -19.94 -6.97 12.97 0.000e+00 0 0.000e+00
Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.266e-09 1.266e-09
K 1.266e-09 1.266e-09
Si 3.797e-09 3.797e-09
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 11.085 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.014e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.283e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.11
Iterations = 42
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.003e-07 1.003e-07 -6.999 -6.999 -0.000 -4.11
H+ 9.997e-08 9.993e-08 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.266e-09
Al(OH)4- 1.162e-09 1.161e-09 -8.935 -8.935 -0.000 (0)
Al(OH)3 6.157e-11 6.157e-11 -10.211 -10.211 0.000 (0)
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 -0.000 (0)
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.81
Al+3 5.375e-15 5.356e-15 -14.270 -14.271 -0.001 -44.55
H(0) 9.575e-40
H2 4.787e-40 4.787e-40 -39.320 -39.320 0.000 28.61
K 1.266e-09
K+ 1.266e-09 1.265e-09 -8.898 -8.898 -0.000 8.90
KOH 4.390e-17 4.390e-17 -16.358 -16.358 0.000 (0)
O(0) 3.638e-14
O2 1.819e-14 1.819e-14 -13.740 -13.740 0.000 30.40
Si 3.797e-09
H4SiO4 3.791e-09 3.791e-09 -8.421 -8.421 0.000 52.08
H3SiO4- 5.596e-12 5.594e-12 -11.252 -11.252 -0.000 27.94
H2SiO4-2 3.814e-18 3.808e-18 -17.419 -17.419 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
Chalcedony -4.87 -8.42 -3.55 SiO2
Gibbsite -1.32 6.73 8.05 Al(OH)3
H2(g) -36.22 -39.32 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -21.31 -20.43 0.88 KAlSi3O8
K-mica -19.94 -6.97 12.97 KAl3Si3O10(OH)2
Kaolinite -9.09 -3.38 5.71 Al2Si2O5(OH)4
O2(g) -10.85 -13.74 -2.89 O2
Quartz -4.44 -8.42 -3.98 SiO2
SiO2(a) -5.71 -8.42 -2.71 SiO2
Reaction step 2.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 1000 seconds (Incremented time: 1100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-08 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.28 7.77 8.05 0.000e+00 0 0.000e+00
K-mica -12.66 0.31 12.97 0.000e+00 0 0.000e+00
Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.392e-08 1.392e-08
K 1.392e-08 1.392e-08
Si 4.176e-08 4.176e-08
----------------------------Description of solution----------------------------
pH = 7.003 Charge balance
pe = 11.127 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.138e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.591e-08
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
Iterations = 17
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.010e-07 1.010e-07 -6.996 -6.996 -0.000 -4.11
H+ 9.928e-08 9.924e-08 -7.003 -7.003 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.392e-08
Al(OH)4- 1.279e-08 1.278e-08 -7.893 -7.893 -0.000 (0)
Al(OH)3 6.731e-10 6.731e-10 -9.172 -9.172 0.000 (0)
Al(OH)2+ 4.535e-10 4.533e-10 -9.343 -9.344 -0.000 (0)
AlOH+2 5.749e-12 5.740e-12 -11.240 -11.241 -0.001 -27.81
Al+3 5.755e-14 5.734e-14 -13.240 -13.242 -0.002 -44.55
H(0) 7.783e-40
H2 3.892e-40 3.892e-40 -39.410 -39.410 0.000 28.61
K 1.392e-08
K+ 1.392e-08 1.392e-08 -7.856 -7.856 -0.000 8.90
KOH 4.862e-16 4.862e-16 -15.313 -15.313 0.000 (0)
O(0) 5.505e-14
O2 2.753e-14 2.753e-14 -13.560 -13.560 0.000 30.40
Si 4.176e-08
H4SiO4 4.170e-08 4.170e-08 -7.380 -7.380 0.000 52.08
H3SiO4- 6.199e-11 6.196e-11 -10.208 -10.208 -0.000 27.94
H2SiO4-2 4.254e-17 4.247e-17 -16.371 -16.372 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
Chalcedony -3.83 -7.38 -3.55 SiO2
Gibbsite -0.28 7.77 8.05 Al(OH)3
H2(g) -36.31 -39.41 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -16.10 -15.22 0.88 KAlSi3O8
K-mica -12.66 0.31 12.97 KAl3Si3O10(OH)2
Kaolinite -4.93 0.78 5.71 Al2Si2O5(OH)4
O2(g) -10.67 -13.56 -2.89 O2
Quartz -3.40 -7.38 -3.98 SiO2
SiO2(a) -4.67 -7.38 -2.71 SiO2
Reaction step 3.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 10000 seconds (Incremented time: 11100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-07 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5743e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 9.937e-08 9.937e-08
K-mica -7.59 5.38 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 4.110e-08 4.110e-08
K 1.405e-07 1.405e-07
Si 4.214e-07 4.214e-07
----------------------------Description of solution----------------------------
pH = 7.210 Charge balance
pe = 10.949 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.028e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.640e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 17
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.626e-07 1.626e-07 -6.789 -6.789 -0.000 -4.11
H+ 6.168e-08 6.165e-08 -7.210 -7.210 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 4.110e-08
Al(OH)4- 3.928e-08 3.926e-08 -7.406 -7.406 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.376e-10 5.373e-10 -9.270 -9.270 -0.000 (0)
AlOH+2 4.235e-12 4.226e-12 -11.373 -11.374 -0.001 -27.81
Al+3 2.636e-14 2.623e-14 -13.579 -13.581 -0.002 -44.55
H(0) 6.818e-40
H2 3.409e-40 3.409e-40 -39.467 -39.467 0.000 28.61
K 1.405e-07
K+ 1.405e-07 1.404e-07 -6.852 -6.853 -0.000 8.90
KOH 7.896e-15 7.896e-15 -14.103 -14.103 0.000 (0)
O(0) 7.173e-14
O2 3.587e-14 3.587e-14 -13.445 -13.445 0.000 30.40
Si 4.214e-07
H4SiO4 4.204e-07 4.204e-07 -6.376 -6.376 0.000 52.08
H3SiO4- 1.006e-09 1.006e-09 -8.997 -8.998 -0.000 27.94
H2SiO4-2 1.112e-15 1.109e-15 -14.954 -14.955 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.82 -6.38 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.37 -39.47 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -11.60 -10.72 0.88 KAlSi3O8
K-mica -7.59 5.38 12.97 KAl3Si3O10(OH)2
Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4
O2(g) -10.55 -13.45 -2.89 O2
Quartz -2.40 -6.38 -3.98 SiO2
SiO2(a) -3.66 -6.38 -2.71 SiO2
Reaction step 4.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 100000 seconds (Incremented time: 111100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-06 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5743e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 9.937e-08 1.142e-06 1.043e-06
K-mica -2.79 10.18 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.638e-07 2.638e-07
K 1.406e-06 1.406e-06
Si 4.218e-06 4.218e-06
----------------------------Description of solution----------------------------
pH = 8.035 Charge balance
pe = 10.097 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.415e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.198e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 76
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.087e-06 1.085e-06 -5.964 -5.964 -0.001 -4.11
H+ 9.248e-09 9.235e-09 -8.034 -8.035 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.638e-07
Al(OH)4- 2.624e-07 2.621e-07 -6.581 -6.582 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.059e-11 8.048e-11 -10.094 -10.094 -0.001 (0)
AlOH+2 9.536e-14 9.483e-14 -13.021 -13.023 -0.002 -27.81
Al+3 8.927e-17 8.816e-17 -16.049 -16.055 -0.005 -44.54
H(0) 7.711e-40
H2 3.855e-40 3.855e-40 -39.414 -39.414 0.000 28.61
K 1.406e-06
K+ 1.406e-06 1.404e-06 -5.852 -5.853 -0.001 8.90
KOH 5.272e-13 5.272e-13 -12.278 -12.278 0.000 (0)
O(0) 5.609e-14
O2 2.804e-14 2.804e-14 -13.552 -13.552 0.000 30.40
Si 4.218e-06
H4SiO4 4.152e-06 4.152e-06 -5.382 -5.382 0.000 52.08
H3SiO4- 6.638e-08 6.629e-08 -7.178 -7.179 -0.001 27.94
H2SiO4-2 4.910e-13 4.883e-13 -12.309 -12.311 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.83 -5.38 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -36.31 -39.41 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -6.79 -5.91 0.88 KAlSi3O8
K-mica -2.79 10.18 12.97 KAl3Si3O10(OH)2
Kaolinite -0.37 5.33 5.71 Al2Si2O5(OH)4
O2(g) -10.66 -13.55 -2.89 O2
Quartz -1.40 -5.38 -3.98 SiO2
SiO2(a) -2.67 -5.38 -2.71 SiO2
Reaction step 5.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 1e+06 seconds (Incremented time: 1.1111e+06 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.265e-05 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5743e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5605e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8348e+00 -5.1944e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.59 7.45 8.05 1.142e-06 0 -1.142e-06
K-mica -0.27 12.70 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 6.728e-06 6.728e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 6.040e-07 6.040e-07
K 1.406e-05 1.406e-05
Si 2.872e-05 2.872e-05
----------------------------Description of solution----------------------------
pH = 8.990 Charge balance
pe = 8.799 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.406e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.587e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 865
Total H = 1.110124e+02
Total O = 5.550627e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 9.828e-06 9.785e-06 -5.008 -5.009 -0.002 -4.11
H+ 1.029e-09 1.024e-09 -8.988 -8.990 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 6.040e-07
Al(OH)4- 6.037e-07 6.010e-07 -6.219 -6.221 -0.002 (0)
Al(OH)3 3.266e-10 3.266e-10 -9.486 -9.486 0.000 (0)
Al(OH)2+ 2.280e-12 2.270e-12 -11.642 -11.644 -0.002 (0)
AlOH+2 3.020e-16 2.967e-16 -15.520 -15.528 -0.008 -27.80
Al+3 3.182e-20 3.059e-20 -19.497 -19.514 -0.017 -44.52
H(0) 3.740e-39
H2 1.870e-39 1.870e-39 -38.728 -38.728 0.000 28.61
K 1.406e-05
K+ 1.406e-05 1.400e-05 -4.852 -4.854 -0.002 8.90
KOH 4.739e-11 4.739e-11 -10.324 -10.324 0.000 (0)
O(0) 2.384e-15
O2 1.192e-15 1.192e-15 -14.924 -14.924 0.000 30.40
Si 2.872e-05
H4SiO4 2.509e-05 2.509e-05 -4.600 -4.600 0.000 52.08
H3SiO4- 3.628e-06 3.612e-06 -5.440 -5.442 -0.002 27.95
H2SiO4-2 2.442e-10 2.399e-10 -9.612 -9.620 -0.008 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
Chalcedony -1.05 -4.60 -3.55 SiO2
Gibbsite -0.59 7.45 8.05 Al(OH)3
H2(g) -35.63 -38.73 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.09 -2.21 0.88 KAlSi3O8
K-mica -0.27 12.70 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -12.03 -14.92 -2.89 O2
Quartz -0.62 -4.60 -3.98 SiO2
SiO2(a) -1.89 -4.60 -2.71 SiO2
Reaction step 6.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 1e+07 seconds (Incremented time: 1.11111e+07 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.126e-04 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5743e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5605e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8348e+00 -5.1944e+00
D: Kaolinite -> K-mica 1.5869e+06 2.0070e-05 4.4080e+00 -4.4658e+00
E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4100e+00 -4.2509e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -1.76 6.29 8.05 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 4.218e-05 4.218e-05
Kaolinite -0.57 5.14 5.71 6.728e-06 0 -6.728e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 9.271e-08 9.271e-08
K 8.444e-05 8.444e-05
Si 2.533e-04 2.533e-04
----------------------------Description of solution----------------------------
pH = 9.339 Charge balance
pe = 9.218 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 8.445e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.472e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 7692
Total H = 1.110123e+02
Total O = 5.550672e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.212e-05 2.189e-05 -4.655 -4.660 -0.005 -4.10
H+ 4.627e-10 4.579e-10 -9.335 -9.339 -0.005 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 9.271e-08
Al(OH)4- 9.269e-08 9.171e-08 -7.033 -7.038 -0.005 (0)
Al(OH)3 2.228e-11 2.228e-11 -10.652 -10.652 0.000 (0)
Al(OH)2+ 6.997e-14 6.923e-14 -13.155 -13.160 -0.005 (0)
AlOH+2 4.220e-18 4.044e-18 -17.375 -17.393 -0.019 -27.78
Al+3 2.049e-22 1.864e-22 -21.688 -21.730 -0.041 -44.48
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.264 -40.264 0.000 28.61
K 8.444e-05
K+ 8.444e-05 8.355e-05 -4.073 -4.078 -0.005 8.91
KOH 6.327e-10 6.327e-10 -9.199 -9.199 0.000 (0)
O(0) 2.810e-12
O2 1.405e-12 1.405e-12 -11.852 -11.852 0.000 30.40
Si 2.533e-04
H4SiO4 1.911e-04 1.911e-04 -3.719 -3.719 0.000 52.08
H3SiO4- 6.221e-05 6.155e-05 -4.206 -4.211 -0.005 27.95
H2SiO4-2 9.543e-09 9.144e-09 -8.020 -8.039 -0.019 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
Chalcedony -0.17 -3.72 -3.55 SiO2
Gibbsite -1.76 6.29 8.05 Al(OH)3
H2(g) -37.16 -40.26 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.48 0.39 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.57 5.14 5.71 Al2Si2O5(OH)4
O2(g) -8.96 -11.85 -2.89 O2
Quartz 0.26 -3.72 -3.98 SiO2
SiO2(a) -1.01 -3.72 -2.71 SiO2
Reaction step 7.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 1e+08 seconds (Incremented time: 1.11111e+08 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -6.426e-05 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5743e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5605e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8348e+00 -5.1944e+00
D: Kaolinite -> K-mica 1.5869e+06 2.0070e-05 4.4080e+00 -4.4658e+00
E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4100e+00 -4.2509e+00
F: K-mica -> K-feldspar 4.7803e+07 1.9072e-04 5.4878e+00 -3.5539e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-mica -0.00 12.97 12.97 4.218e-05 6.361e-05 2.143e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.988e-08 5.988e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 9.171 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 4540
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.488e-05 2.455e-05 -4.604 -4.610 -0.006 -4.10
H+ 4.134e-10 4.082e-10 -9.384 -9.389 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.988e-08
Al(OH)4- 5.987e-08 5.909e-08 -7.223 -7.228 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.591e-14 3.545e-14 -13.445 -13.450 -0.006 (0)
AlOH+2 1.945e-18 1.846e-18 -17.711 -17.734 -0.023 -27.77
Al+3 8.514e-23 7.586e-23 -22.070 -22.120 -0.050 -44.46
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.270 -40.270 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.91
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000 (0)
O(0) 2.894e-12
O2 1.447e-12 1.447e-12 -11.840 -11.840 0.000 30.40
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000 52.08
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006 27.95
H2SiO4-2 1.773e-08 1.683e-08 -7.751 -7.774 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -37.17 -40.27 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.00 0.87 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -8.95 -11.84 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 10.
-------------------------------------
PRINT
user_print false
PHASES
K_H
KH = K+ - H+
no_check
USER_GRAPH
-initial_solutions true
10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None
SOLUTION 1
pH 11
K 1 K_H 8
Al 1 Gibbsite
Si 1 K-mica
SOLUTION 2
pH 7
K 1 K-mica
Al 1 Gibbsite
Si 1 Kaolinite
SOLUTION 3
pH 7
K 1 K-mica
Al 1 K-feldspar
Si 1 Kaolinite
SOLUTION 4
pH 7
K 1 K_H -1
Al 1 Kaolinite
Si 1 K-feldspar
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.515e-04 2.515e-04 Equilibrium with Gibbsite
K 1.040e-03 1.040e-03 Equilibrium with K_H
Si 6.660e-06 6.660e-06 Equilibrium with K-mica
----------------------------Description of solution----------------------------
pH = 11.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 276
Density (g/cm3) = 0.99713
Activity of water = 1.000
Ionic strength = 1.169e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.054e-03
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.601e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -11.12
Iterations = 5
Total H = 1.110145e+02
Total O = 5.550829e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.042e-03 1.002e-03 -2.982 -2.999 -0.017 -4.08
H+ 1.037e-11 1.000e-11 -10.984 -11.000 -0.016 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.515e-04
Al(OH)4- 2.515e-04 2.420e-04 -3.599 -3.616 -0.017 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.057e-14 8.715e-14 -13.043 -13.060 -0.017 (0)
AlOH+2 1.297e-19 1.112e-19 -18.887 -18.954 -0.067 -27.68
Al+3 1.555e-25 1.120e-25 -24.808 -24.951 -0.143 -44.27
H(0) 1.416e-33
H2 7.078e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.040e-03
K+ 1.039e-03 1.000e-03 -2.983 -3.000 -0.017 8.93
KOH 3.466e-07 3.467e-07 -6.460 -6.460 0.000 (0)
O(0) 1.663e-26
O2 8.315e-27 8.317e-27 -26.080 -26.080 0.000 30.40
Si 6.660e-06
H3SiO4- 6.208e-06 5.974e-06 -5.207 -5.224 -0.017 27.98
H4SiO4 4.050e-07 4.051e-07 -6.393 -6.392 0.000 52.08
H2SiO4-2 4.739e-08 4.064e-08 -7.324 -7.391 -0.067 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.84 -6.39 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -30.05 -33.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 8.00 8.00 0.00 KH
Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4
O2(g) -23.19 -26.08 -2.89 O2
Quartz -2.41 -6.39 -3.98 SiO2
SiO2(a) -3.68 -6.39 -2.71 SiO2
Initial solution 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.742e-08 2.742e-08 Equilibrium with Gibbsite
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.390e-06 6.390e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 191
Density (g/cm3) = 0.99713
Activity of water = 1.000
Ionic strength = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.169e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.666e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99
Iterations = 7
Total H = 1.110125e+02
Total O = 5.550624e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.044e-07 1.002e-07 -6.981 -6.999 -0.018 -4.07
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.742e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.079e-10 8.716e-10 -9.042 -9.060 -0.018 (0)
AlOH+2 1.310e-11 1.112e-11 -10.883 -10.954 -0.071 -27.68
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -44.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 8.93
KOH 8.868e-11 8.871e-11 -10.052 -10.052 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.390e-06
H4SiO4 6.380e-06 6.382e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.803e-09 9.410e-09 -8.009 -8.026 -0.018 27.98
H2SiO4-2 7.539e-15 6.401e-15 -14.123 -14.194 -0.071 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
Initial solution 3.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.732e-10 2.732e-10 Equilibrium with K-feldspar
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.412e-04 6.412e-04 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 191
Density (g/cm3) = 0.99716
Activity of water = 1.000
Ionic strength = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.854e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.665e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92
Iterations = 7
Total H = 1.110150e+02
Total O = 5.550878e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.044e-07 1.002e-07 -6.981 -6.999 -0.018 -4.07
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Al 2.732e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.048e-12 8.685e-12 -11.043 -11.061 -0.018 (0)
AlOH+2 1.305e-13 1.108e-13 -12.884 -12.955 -0.071 -27.68
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -44.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 8.93
KOH 8.868e-11 8.870e-11 -10.052 -10.052 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.412e-04
H4SiO4 6.402e-04 6.404e-04 -3.194 -3.194 0.000 52.08
H3SiO4- 9.837e-07 9.443e-07 -6.007 -6.025 -0.018 27.98
H2SiO4-2 7.565e-13 6.423e-13 -12.121 -12.192 -0.071 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
Initial solution 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.252e-13 5.252e-13 Equilibrium with Kaolinite
K 1.018e-08 1.018e-08 Equilibrium with K_H
Si 3.205e-01 3.205e-01 Equilibrium with K-feldspar
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 1.01095
Activity of water = 0.995
Ionic strength = 2.403e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.803e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.803e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.95
Iterations = 10
Total H = 1.122938e+02
Total O = 5.678810e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
H+ 1.018e-07 1.000e-07 -6.992 -7.000 -0.008 0.00
OH- 1.015e-07 9.967e-08 -6.994 -7.001 -0.008 -4.10
H2O 5.551e+01 9.946e-01 1.744 -0.002 0.000 18.07
Al 5.252e-13
Al(OH)4- 4.821e-13 4.736e-13 -12.317 -12.325 -0.008 (0)
Al(OH)3 2.526e-14 2.526e-14 -13.598 -13.597 0.000 (0)
Al(OH)2+ 1.755e-14 1.724e-14 -13.756 -13.763 -0.008 (0)
AlOH+2 2.375e-16 2.212e-16 -15.624 -15.655 -0.031 -27.75
Al+3 2.619e-18 2.239e-18 -17.582 -17.650 -0.068 -44.43
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.018e-08
K+ 1.018e-08 1.000e-08 -7.992 -8.000 -0.008 8.92
KOH 3.448e-16 3.448e-16 -15.462 -15.462 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.085 -42.085 0.000 30.40
Si 3.205e-01
H4SiO4 3.200e-01 3.200e-01 -0.495 -0.495 0.000 52.08
H3SiO4- 4.803e-04 4.719e-04 -3.318 -3.326 -0.008 27.96
H2SiO4-2 3.447e-10 3.210e-10 -9.463 -9.494 -0.031 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -7.46 3.34 10.80 Al(OH)3
Chalcedony 3.06 -0.49 -3.55 SiO2
Gibbsite -4.71 3.34 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -5.40 7.57 12.97 KAl3Si3O10(OH)2
K_H -1.00 -1.00 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 3.49 -0.49 -3.98 SiO2
SiO2(a) 2.22 -0.49 -2.71 SiO2
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 11.
-------------------------------------
USER_GRAPH
10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None
SOLUTION 1
pH 11
K 1 K_H 8
Al 1 K-feldspar
Si 1 K-mica
SOLUTION 2
pH 7
K 1 K-mica
Al 1 K-feldspar
Si 1 Kaolinite
SOLUTION 3
pH 7
K 1 K-mica
Al 1 Gibbsite
Si 1 Kaolinite
SOLUTION 4
pH 7
K 1 K_H -1
Al 1 Gibbsite
Si 1 Kaolinite
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.514e-06 2.514e-06 Equilibrium with K-feldspar
K 1.043e-03 1.043e-03 Equilibrium with K_H
Si 6.703e-04 6.703e-04 Equilibrium with K-mica
----------------------------Description of solution----------------------------
pH = 11.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 276
Density (g/cm3) = 0.99715
Activity of water = 1.000
Ionic strength = 1.367e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.690e-03
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.392e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -23.47
Iterations = 5
Total H = 1.110155e+02
Total O = 5.550995e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.045e-03 1.002e-03 -2.981 -2.999 -0.018 -4.07
H+ 1.040e-11 1.000e-11 -10.983 -11.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.514e-06
Al(OH)4- 2.514e-06 2.412e-06 -5.600 -5.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.052e-16 8.685e-16 -15.043 -15.061 -0.018 (0)
AlOH+2 1.308e-21 1.108e-21 -20.883 -20.955 -0.072 -27.67
Al+3 1.587e-27 1.116e-27 -26.799 -26.952 -0.153 -44.25
H(0) 1.415e-33
H2 7.077e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.043e-03
K+ 1.042e-03 1.000e-03 -2.982 -3.000 -0.018 8.94
KOH 3.466e-07 3.467e-07 -6.460 -6.460 0.000 (0)
O(0) 1.663e-26
O2 8.314e-27 8.317e-27 -26.080 -26.080 0.000 30.40
Si 6.703e-04
H3SiO4- 6.248e-04 5.995e-04 -3.204 -3.222 -0.018 27.98
H4SiO4 4.064e-05 4.066e-05 -4.391 -4.391 0.000 52.08
H2SiO4-2 4.812e-06 4.078e-06 -5.318 -5.390 -0.072 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.84 -4.39 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -30.05 -33.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 8.00 8.00 0.00 KH
Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4
O2(g) -23.19 -26.08 -2.89 O2
Quartz -0.41 -4.39 -3.98 SiO2
SiO2(a) -1.68 -4.39 -2.71 SiO2
Initial solution 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.732e-10 2.732e-10 Equilibrium with K-feldspar
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.412e-04 6.412e-04 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 191
Density (g/cm3) = 0.99716
Activity of water = 1.000
Ionic strength = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.854e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.665e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92
Iterations = 7
Total H = 1.110150e+02
Total O = 5.550878e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.044e-07 1.002e-07 -6.981 -6.999 -0.018 -4.07
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Al 2.732e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.048e-12 8.685e-12 -11.043 -11.061 -0.018 (0)
AlOH+2 1.305e-13 1.108e-13 -12.884 -12.955 -0.071 -27.68
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -44.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 8.93
KOH 8.868e-11 8.870e-11 -10.052 -10.052 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.412e-04
H4SiO4 6.402e-04 6.404e-04 -3.194 -3.194 0.000 52.08
H3SiO4- 9.837e-07 9.443e-07 -6.007 -6.025 -0.018 27.98
H2SiO4-2 7.565e-13 6.423e-13 -12.121 -12.192 -0.071 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
Initial solution 3.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.742e-08 2.742e-08 Equilibrium with Gibbsite
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.390e-06 6.390e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 191
Density (g/cm3) = 0.99713
Activity of water = 1.000
Ionic strength = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.169e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.666e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99
Iterations = 7
Total H = 1.110125e+02
Total O = 5.550624e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.044e-07 1.002e-07 -6.981 -6.999 -0.018 -4.07
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.742e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.079e-10 8.716e-10 -9.042 -9.060 -0.018 (0)
AlOH+2 1.310e-11 1.112e-11 -10.883 -10.954 -0.071 -27.68
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -44.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 8.93
KOH 8.868e-11 8.871e-11 -10.052 -10.052 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.390e-06
H4SiO4 6.380e-06 6.382e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.803e-09 9.410e-09 -8.009 -8.026 -0.018 27.98
H2SiO4-2 7.539e-15 6.401e-15 -14.123 -14.194 -0.071 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
Initial solution 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.638e-08 2.638e-08 Equilibrium with Gibbsite
K 1.000e-08 1.000e-08 Equilibrium with K_H
Si 6.392e-06 6.392e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.224e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.121e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.295e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -9.37
Iterations = 6
Total H = 1.110125e+02
Total O = 5.550624e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.003e-07 1.002e-07 -6.999 -6.999 -0.000 -4.11
H+ 1.000e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.638e-08
Al(OH)4- 2.421e-08 2.420e-08 -7.616 -7.616 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.719e-10 8.715e-10 -9.060 -9.060 -0.000 (0)
AlOH+2 1.114e-11 1.112e-11 -10.953 -10.954 -0.001 -27.81
Al+3 1.124e-13 1.119e-13 -12.949 -12.951 -0.002 -44.55
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-08
K+ 1.000e-08 1.000e-08 -8.000 -8.000 -0.000 8.90
KOH 3.467e-16 3.467e-16 -15.460 -15.460 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.392e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.415e-09 9.411e-09 -8.026 -8.026 -0.000 27.94
H2SiO4-2 6.412e-15 6.402e-15 -14.193 -14.194 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -9.41 -8.54 0.88 KAlSi3O8
K-mica -5.41 7.56 12.97 KAl3Si3O10(OH)2
K_H -1.00 -1.00 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 12.
-------------------------------------
------------------------------
End of Run after 1.55 Seconds.
------------------------------
Reference in New Issue View Git Blame Copy Permalink