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Extra prints for gases, temperature format changed slightly.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5815 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2011-11-23 18:19:23 +00:00
parent 8188d11748
commit ab922cc5e5
22 changed files with 1126 additions and 1114 deletions
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4
ex1.out
View File

@ -127,7 +127,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM ET AL. (1979)
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.180e-03 Total carbon (mol/kg) = 2.180e-03
Total CO2 (mol/kg) = 2.180e-03 Total CO2 (mol/kg) = 2.180e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.936e-04 Electrical balance (eq) = 7.936e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7 Iterations = 7
@ -279,7 +279,7 @@ U(6) 1.437e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.84 -5.20 -4.36 CaSO4 Anhydrite -0.84 -5.20 -4.36 CaSO4
Aragonite 0.61 -7.72 -8.34 CaCO3 Aragonite 0.61 -7.72 -8.34 CaCO3

14
ex10.out
View File

@ -126,7 +126,7 @@ Initial solution 1.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.864e-03 Total alkalinity (eq/kg) = 7.864e-03
Total CO2 (mol/kg) = 7.864e-03 Total CO2 (mol/kg) = 7.864e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.068e-17 Electrical balance (eq) = 7.068e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
@ -161,7 +161,7 @@ O(0) 1.243e-38
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite 1.17 -7.17 -8.34 CaCO3 Aragonite 1.17 -7.17 -8.34 CaCO3
Calcite 1.31 -7.17 -8.48 CaCO3 Calcite 1.31 -7.17 -8.48 CaCO3
@ -184,10 +184,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Aragonite -0.00 -8.34 -8.34 1.000e+01 9.993e+00 -6.605e-03 Aragonite -0.00 -8.34 -8.34 1.000e+01 9.993e+00 -6.605e-03
CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02 CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -207,7 +207,7 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 2.108e-02 Total alkalinity (eq/kg) = 2.108e-02
Total CO2 (mol/kg) = 5.392e-02 Total CO2 (mol/kg) = 5.392e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.940e-13 Electrical balance (eq) = 1.940e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 11 Iterations = 11
@ -242,7 +242,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.00 -8.34 -8.34 CaCO3 Aragonite -0.00 -8.34 -8.34 CaCO3
Calcite 0.14 -8.34 -8.48 CaCO3 Calcite 0.14 -8.34 -8.48 CaCO3

72
ex11.out
View File

@ -86,7 +86,7 @@ Initial solution 0. CaCl2
Total alkalinity (eq/kg) = 1.156e-19 Total alkalinity (eq/kg) = 1.156e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.099e-18 Electrical balance (eq) = 4.099e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4 Iterations = 4
@ -113,7 +113,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -142,7 +142,7 @@ Initial solution 1. Initial solution for column
Total alkalinity (eq/kg) = -9.547e-19 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.377e-17 Electrical balance (eq) = -8.377e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
@ -172,7 +172,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -234,7 +234,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 3.103e-19 Total alkalinity (eq/kg) = 3.103e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 9.601e-14 Electrical balance (eq) = 9.601e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 8 Iterations = 8
@ -267,7 +267,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -336,7 +336,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -9.547e-19 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.321e-16 Electrical balance (eq) = -3.321e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -373,7 +373,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -438,7 +438,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -3.748e-20 Total alkalinity (eq/kg) = -3.748e-20
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.960e-12 Electrical balance (eq) = 2.960e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0 Iterations = 0
@ -468,7 +468,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -532,7 +532,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -1.003e-18 Total alkalinity (eq/kg) = -1.003e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 3.548e-12 Electrical balance (eq) = 3.548e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4 Iterations = 4
@ -562,7 +562,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -628,7 +628,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 7.069e-19 Total alkalinity (eq/kg) = 7.069e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 3.087e-18 Electrical balance (eq) = 3.087e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 6 Iterations = 6
@ -661,7 +661,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -723,7 +723,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 1.156e-19 Total alkalinity (eq/kg) = 1.156e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.099e-18 Electrical balance (eq) = 4.099e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0 Iterations = 0
@ -750,7 +750,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -811,7 +811,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 1.156e-19 Total alkalinity (eq/kg) = 1.156e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.099e-18 Electrical balance (eq) = 4.099e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0 Iterations = 0
@ -838,7 +838,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -912,7 +912,7 @@ Initial solution 1. Initial solution for column
Total alkalinity (eq/kg) = -9.547e-19 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.377e-17 Electrical balance (eq) = -8.377e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
@ -942,7 +942,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -1003,7 +1003,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -9.547e-19 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.325e-16 Electrical balance (eq) = -3.325e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -1040,7 +1040,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -1091,7 +1091,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -9.547e-19 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.325e-16 Electrical balance (eq) = -3.325e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -1128,7 +1128,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -1378,7 +1378,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -7.546e-19 Total alkalinity (eq/kg) = -7.546e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.566e-14 Electrical balance (eq) = 1.566e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -1417,7 +1417,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -1668,7 +1668,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 1.821e-18 Total alkalinity (eq/kg) = 1.821e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.884e-12 Electrical balance (eq) = 8.884e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -1707,7 +1707,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -1960,7 +1960,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 2.737e-18 Total alkalinity (eq/kg) = 2.737e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 3.043e-12 Electrical balance (eq) = 3.043e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -2002,7 +2002,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -2255,7 +2255,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 7.177e-18 Total alkalinity (eq/kg) = 7.177e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 9.758e-12 Electrical balance (eq) = 9.758e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -2297,7 +2297,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -2550,7 +2550,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = -1.989e-18 Total alkalinity (eq/kg) = -1.989e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.774e-14 Electrical balance (eq) = 7.774e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -2592,7 +2592,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -2845,7 +2845,7 @@ X 1.100e-03 mol
Total alkalinity (eq/kg) = 2.194e-19 Total alkalinity (eq/kg) = 2.194e-19
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.160e-15 Electrical balance (eq) = 1.160e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2 Iterations = 2
@ -2887,7 +2887,7 @@ O(0) 5.352e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.25 -44.40 -3.15 H2 H2(g) -41.25 -44.40 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O

2
ex12.sel
View File

@ -34,7 +34,7 @@
9.5 1.396593677778e-07 1.396593266669e-07 2.399999986047e+01 2.055609847093e-03 9.5 1.396593677778e-07 1.396593266669e-07 2.399999986047e+01 2.055609847093e-03
10.5 1.138869021831e-06 1.138868368162e-06 2.399999886126e+01 4.374443607427e-03 10.5 1.138869021831e-06 1.138868368162e-06 2.399999886126e+01 4.374443607427e-03
11.5 2.090811414205e-05 2.090810331640e-05 2.399997909200e+01 2.044715368548e-02 11.5 2.090811414205e-05 2.090810331640e-05 2.399997909200e+01 2.044715368548e-02
12.5 2.951795282278e-04 2.951793938631e-04 2.399970482062e+01 7.995922685941e-02 12.5 2.951795282278e-04 2.951793938632e-04 2.399970482062e+01 7.995922685941e-02
13.5 3.221164570742e-03 3.221163321493e-03 2.399677883642e+01 2.567109777341e-01 13.5 3.221164570742e-03 3.221163321493e-03 2.399677883642e+01 2.567109777341e-01
14.5 2.715473190226e-02 2.715472330369e-02 2.397284527578e+01 6.850286499844e-01 14.5 2.715473190226e-02 2.715472330369e-02 2.397284527578e+01 6.850286499844e-01
15.5 1.753541123879e-01 1.753540697298e-01 2.382464592813e+01 1.533872870596e+00 15.5 1.753541123879e-01 1.753540697298e-01 2.382464592813e+01 1.533872870596e+00

12
ex12a.sel
View File

@ -20,10 +20,10 @@
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00 18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01 19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.5 1.686181418415e+01 1.686181419284e+01 7.138185798942e+00 2.011377529332e+01 4.381717721796e-06 5.063555346725e-04 0.5 1.686181418415e+01 1.686181419284e+01 7.138185798942e+00 2.011377529332e+01 4.381717721796e-06 5.063555346725e-04
1.5 6.421492325960e+00 6.421492401968e+00 1.757850758483e+01 1.294968671951e+01 1.730376465523e-05 5.107739267527e-04 1.5 6.421492325960e+00 6.421492401968e+00 1.757850758483e+01 1.294968671951e+01 1.730376465524e-05 5.107739267527e-04
2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448175e-05 2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448175e-05
3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523711e-05 -3.731213350981e-05 3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523712e-05 -3.731213350981e-05
4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596726e-05 -1.979378199420e-05 4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596727e-05 -1.979378199420e-05
5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06 5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06
6.5 5.926340095484e-04 5.926340766454e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394201e-07 6.5 5.926340095484e-04 5.926340766454e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394201e-07
7.5 4.190926756604e-05 4.190927316647e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153371e-08 7.5 4.190926756604e-05 4.190927316647e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153371e-08
@ -109,11 +109,11 @@
0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873124609e-08 3.939740866213e-05 0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873124609e-08 3.939740866213e-05
0.833333 1.328083118787e+01 1.328083122259e+01 1.071916876673e+01 1.760855984610e+01 0.833333 1.328083118787e+01 1.328083122259e+01 1.071916876673e+01 1.760855984610e+01
1.16667 9.764783869793e+00 9.764783923632e+00 1.423521606399e+01 1.521226338251e+01 1.16667 9.764783869793e+00 9.764783923632e+00 1.423521606399e+01 1.521226338251e+01
1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983180e+01 1.040652365532e-06 5.528630608452e-05 1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983180e+01 1.040652365518e-06 5.528630608452e-05
1.83333 4.633445178532e+00 4.633445251920e+00 1.936655473578e+01 1.089878644688e+01 1.83333 4.633445178532e+00 4.633445251920e+00 1.936655473578e+01 1.089878644688e+01
2.16667 2.983957613764e+00 2.983957682798e+00 2.101604230602e+01 9.031332911170e+00 2.16667 2.983957613764e+00 2.983957682798e+00 2.101604230602e+01 9.031332911170e+00
2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041862e+00 3.202792359621e-06 1.472462813059e-05 2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041862e+00 3.202792359621e-06 1.472462813059e-05
2.83333 1.078309641703e+00 1.078309685856e+00 2.292169030594e+01 5.933464823535e+00 2.83333 1.078309641703e+00 1.078309685856e+00 2.292169030595e+01 5.933464823535e+00
3.16667 6.047271172834e-01 6.047271481609e-01 2.339527284513e+01 4.701369002512e+00 3.16667 6.047271172834e-01 6.047271481609e-01 2.339527284513e+01 4.701369002512e+00
3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790505377e+00 5.217033543663e-06 -3.888438053037e-06 3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790505377e+00 5.217033543663e-06 -3.888438053037e-06
3.83333 1.655091653734e-01 1.655091774635e-01 2.383449081836e+01 2.816693047507e+00 3.83333 1.655091653734e-01 1.655091774635e-01 2.383449081836e+01 2.816693047507e+00
@ -128,7 +128,7 @@
6.83333 5.227158932778e-05 5.227159943951e-05 2.399994772825e+01 1.244558376472e-01 6.83333 5.227158932778e-05 5.227159943951e-05 2.399994772825e+01 1.244558376472e-01
7.16667 1.720693829075e-05 1.720694188205e-05 2.399998279298e+01 8.077556918093e-02 7.16667 1.720693829075e-05 1.720694188205e-05 2.399998279298e+01 8.077556918093e-02
7.5 5.436060808742e-06 5.436062028076e-06 2.399999456390e+01 5.150981286307e-02 1.285022913219e-06 -2.700900395319e-09 7.5 5.436060808742e-06 5.436062028076e-06 2.399999456390e+01 5.150981286307e-02 1.285022913219e-06 -2.700900395319e-09
7.83333 1.649087567417e-06 1.649087963539e-06 2.399999835090e+01 3.227276557118e-02 7.83333 1.649087567417e-06 1.649087963539e-06 2.399999835090e+01 3.227276557119e-02
8.16667 4.806328011003e-07 4.806329243356e-07 2.399999951938e+01 1.987075437176e-02 8.16667 4.806328011003e-07 4.806329243356e-07 2.399999951938e+01 1.987075437176e-02
8.5 1.346545980534e-07 1.346546347972e-07 2.399999986537e+01 1.203507596490e-02 4.530197984976e-07 -9.008061084843e-11 8.5 1.346545980534e-07 1.346546347972e-07 2.399999986537e+01 1.203507596490e-02 4.530197984976e-07 -9.008061084843e-11
8.83333 3.628418612942e-08 3.628419663777e-08 2.399999996375e+01 7.194421703709e-03 8.83333 3.628418612942e-08 3.628419663777e-08 2.399999996375e+01 7.194421703709e-03

12
ex13a.out
View File

@ -62,7 +62,7 @@ Initial solution 0.
Total alkalinity (eq/kg) = 4.551e-10 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-03 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -231,7 +231,7 @@ X 1.000e-03 mol
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O

12
ex13b.out
View File

@ -62,7 +62,7 @@ Initial solution 0.
Total alkalinity (eq/kg) = 4.551e-10 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-03 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -231,7 +231,7 @@ X 1.000e-03 mol
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O

12
ex13c.out
View File

@ -62,7 +62,7 @@ Initial solution 0.
Total alkalinity (eq/kg) = 4.551e-10 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-03 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -231,7 +231,7 @@ X 1.000e-03 mol
Total alkalinity (eq/kg) = 3.350e-10 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-10 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.24 -44.39 -3.15 H2 H2(g) -41.24 -44.39 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O

130
ex14.out
View File

@ -83,7 +83,7 @@ Initial solution 1. Brine
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.333e-03 Total alkalinity (eq/kg) = 3.333e-03
Total CO2 (mol/kg) = 3.960e-03 Total CO2 (mol/kg) = 3.960e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.245e-12 Electrical balance (eq) = 1.245e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10 Iterations = 10
@ -168,7 +168,7 @@ S(6) 4.725e-03
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.37 -4.36 CaSO4 Anhydrite -0.01 -4.37 -4.36 CaSO4
Aragonite 0.35 -7.98 -8.34 CaCO3 Aragonite 0.35 -7.98 -8.34 CaCO3
@ -241,10 +241,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e-01 1.020e-01 1.982e-03 Calcite -0.00 -8.48 -8.48 1.000e-01 1.020e-01 1.982e-03
Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04 Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -267,7 +267,7 @@ Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.441e-03 Total alkalinity (eq/kg) = 2.441e-03
Total CO2 (mol/kg) = 3.514e-03 Total CO2 (mol/kg) = 3.514e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.252e-12 Electrical balance (eq) = 1.252e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4 Iterations = 4
@ -352,7 +352,7 @@ S(6) 4.725e-03
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.01 -4.37 -4.36 CaSO4 Anhydrite -0.01 -4.37 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -508,7 +508,7 @@ Initial solution 0. 20 x precipitation
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.630e-05 Total alkalinity (eq/kg) = -2.630e-05
Total CO2 (mol/kg) = 1.096e-05 Total CO2 (mol/kg) = 1.096e-05
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.170e-16 Electrical balance (eq) = 8.170e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
@ -578,7 +578,7 @@ S(6) 2.351e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.14 -7.50 -4.36 CaSO4 Anhydrite -3.14 -7.50 -4.36 CaSO4
Aragonite -7.91 -16.24 -8.34 CaCO3 Aragonite -7.91 -16.24 -8.34 CaCO3
@ -622,11 +622,11 @@ Using pure phase assemblage 0.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.443e-04 Calcite -0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.443e-04
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.067e-03 CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.067e-03
Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.349e-03 Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.349e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -648,7 +648,7 @@ Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.349e-03
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.057e-03 Total alkalinity (eq/kg) = 6.057e-03
Total CO2 (mol/kg) = 7.120e-03 Total CO2 (mol/kg) = 7.120e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.213e-15 Electrical balance (eq) = 2.213e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
@ -718,7 +718,7 @@ S(6) 2.351e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.48 -6.84 -4.36 CaSO4 Anhydrite -2.48 -6.84 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -800,10 +800,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 5.212e-02 5.085e-02 -1.272e-03 Calcite 0.00 -8.48 -8.48 5.212e-02 5.085e-02 -1.272e-03
Dolomite 0.00 -17.09 -17.09 1.576e+00 1.575e+00 -1.774e-04 Dolomite 0.00 -17.09 -17.09 1.576e+00 1.575e+00 -1.774e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -867,7 +867,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 9.399e-03 Total alkalinity (eq/kg) = 9.399e-03
Total CO2 (mol/kg) = 8.747e-03 Total CO2 (mol/kg) = 8.747e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.721e-05 Electrical balance (eq) = -8.721e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.44 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.44
Iterations = 13 Iterations = 13
@ -952,7 +952,7 @@ S(6) 2.350e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -4.53 -8.89 -4.36 CaSO4 Anhydrite -4.53 -8.89 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1023,10 +1023,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 2.832e-02 2.720e-02 -1.117e-03 Calcite 0.00 -8.48 -8.48 2.832e-02 2.720e-02 -1.117e-03
Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 -5.221e-05 Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 -5.221e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1090,7 +1090,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.564e-03 Total alkalinity (eq/kg) = 8.564e-03
Total CO2 (mol/kg) = 8.341e-03 Total CO2 (mol/kg) = 8.341e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.232e-05 Electrical balance (eq) = -6.232e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.34 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.34
Iterations = 11 Iterations = 11
@ -1175,7 +1175,7 @@ S(6) 2.347e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -4.11 -8.47 -4.36 CaSO4 Anhydrite -4.11 -8.47 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1246,10 +1246,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 7.030e-03 6.028e-03 -1.002e-03 Calcite 0.00 -8.48 -8.48 7.030e-03 6.028e-03 -1.002e-03
Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 1.267e-05 Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 1.267e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1313,7 +1313,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.078e-03 Total alkalinity (eq/kg) = 8.078e-03
Total CO2 (mol/kg) = 8.097e-03 Total CO2 (mol/kg) = 8.097e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.959e-05 Electrical balance (eq) = -5.959e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.35 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.35
Iterations = 11 Iterations = 11
@ -1398,7 +1398,7 @@ S(6) 2.318e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.64 -8.00 -4.36 CaSO4 Anhydrite -3.64 -8.00 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1469,10 +1469,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00 Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
Dolomite -0.00 -17.09 -17.09 1.568e+00 1.568e+00 -3.004e-04 Dolomite -0.00 -17.09 -17.09 1.568e+00 1.568e+00 -3.004e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1536,7 +1536,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 7.379e-03 Total alkalinity (eq/kg) = 7.379e-03
Total CO2 (mol/kg) = 7.720e-03 Total CO2 (mol/kg) = 7.720e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.390e-05 Electrical balance (eq) = -6.390e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.41 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.41
Iterations = 12 Iterations = 12
@ -1621,7 +1621,7 @@ S(6) 2.072e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.11 -7.47 -4.36 CaSO4 Anhydrite -3.11 -7.47 -4.36 CaSO4
Aragonite -0.16 -8.49 -8.34 CaCO3 Aragonite -0.16 -8.49 -8.34 CaCO3
@ -1692,10 +1692,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00 Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00
Dolomite -0.00 -17.09 -17.09 1.565e+00 1.565e+00 -5.456e-05 Dolomite -0.00 -17.09 -17.09 1.565e+00 1.565e+00 -5.456e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1759,7 +1759,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.402e-03 Total alkalinity (eq/kg) = 6.402e-03
Total CO2 (mol/kg) = 7.229e-03 Total CO2 (mol/kg) = 7.229e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.426e-05 Electrical balance (eq) = -3.426e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.26 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.26
Iterations = 9 Iterations = 9
@ -1844,7 +1844,7 @@ S(6) 1.889e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.72 -7.08 -4.36 CaSO4 Anhydrite -2.72 -7.08 -4.36 CaSO4
Aragonite -0.16 -8.50 -8.34 CaCO3 Aragonite -0.16 -8.50 -8.34 CaCO3
@ -1915,10 +1915,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00 Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.153e-06 Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.153e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1982,7 +1982,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.091e-03 Total alkalinity (eq/kg) = 6.091e-03
Total CO2 (mol/kg) = 7.117e-03 Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.811e-06 Electrical balance (eq) = -5.811e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 10 Iterations = 10
@ -2067,7 +2067,7 @@ S(6) 2.190e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.55 -6.91 -4.36 CaSO4 Anhydrite -2.55 -6.91 -4.36 CaSO4
Aragonite -0.16 -8.50 -8.34 CaCO3 Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2138,10 +2138,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00 Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 2.132e-06 Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 2.132e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2205,7 +2205,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.055e-03 Total alkalinity (eq/kg) = 6.055e-03
Total CO2 (mol/kg) = 7.115e-03 Total CO2 (mol/kg) = 7.115e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.682e-07 Electrical balance (eq) = -6.682e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 10 Iterations = 10
@ -2290,7 +2290,7 @@ S(6) 2.323e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.50 -6.86 -4.36 CaSO4 Anhydrite -2.50 -6.86 -4.36 CaSO4
Aragonite -0.16 -8.50 -8.34 CaCO3 Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2361,10 +2361,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00 Calcite -0.02 -8.50 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.465e-06 Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.465e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2428,7 +2428,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.052e-03 Total alkalinity (eq/kg) = 6.052e-03
Total CO2 (mol/kg) = 7.117e-03 Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.135e-08 Electrical balance (eq) = -6.135e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -2513,7 +2513,7 @@ S(6) 2.347e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.49 -6.85 -4.36 CaSO4 Anhydrite -2.49 -6.85 -4.36 CaSO4
Aragonite -0.16 -8.50 -8.34 CaCO3 Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2584,10 +2584,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00 Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.206e-06 Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.206e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2651,7 +2651,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.053e-03 Total alkalinity (eq/kg) = 6.053e-03
Total CO2 (mol/kg) = 7.117e-03 Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.004e-09 Electrical balance (eq) = 6.004e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10 Iterations = 10
@ -2736,7 +2736,7 @@ S(6) 2.351e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.49 -6.85 -4.36 CaSO4 Anhydrite -2.49 -6.85 -4.36 CaSO4
Aragonite -0.16 -8.49 -8.34 CaCO3 Aragonite -0.16 -8.49 -8.34 CaCO3
@ -2807,10 +2807,10 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00 Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.046e-06 Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.046e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2874,7 +2874,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.053e-03 Total alkalinity (eq/kg) = 6.053e-03
Total CO2 (mol/kg) = 7.117e-03 Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.225e-08 Electrical balance (eq) = 1.225e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10 Iterations = 10
@ -2959,7 +2959,7 @@ S(6) 2.351e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.49 -6.85 -4.36 CaSO4 Anhydrite -2.49 -6.85 -4.36 CaSO4
Aragonite -0.16 -8.49 -8.34 CaCO3 Aragonite -0.16 -8.49 -8.34 CaCO3

80
ex15.out
View File

@ -62,7 +62,7 @@ Initial solution 0. Pulse solution with NTA and cobalt
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.539e-05 Total alkalinity (eq/kg) = 1.539e-05
Total CO2 (mol/kg) = 4.900e-07 Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06 Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 6 Iterations = 6
@ -114,7 +114,7 @@ O(0) 6.250e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -158,7 +158,7 @@ Initial solution 1. Background solution initially filling column
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07 Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07 Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4 Iterations = 4
@ -194,7 +194,7 @@ O(0) 6.250e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -318,7 +318,7 @@ Using solution 10. Background solution initially filling column
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07 Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07 Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10 Iterations = 10
@ -348,7 +348,7 @@ O(0) 6.250e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -417,7 +417,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07 Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07 Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10 Iterations = 10
@ -466,7 +466,7 @@ O(0) 6.250e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -535,7 +535,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.439e-06 Total alkalinity (eq/kg) = 3.439e-06
Total CO2 (mol/kg) = 1.541e-06 Total CO2 (mol/kg) = 1.541e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.646e-06 Electrical balance (eq) = -2.646e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.13
Iterations = 25 Iterations = 25
@ -584,7 +584,7 @@ O(0) 6.141e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -653,7 +653,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.603e-06 Total alkalinity (eq/kg) = 6.603e-06
Total CO2 (mol/kg) = 2.330e-06 Total CO2 (mol/kg) = 2.330e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06 Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 21 Iterations = 21
@ -702,7 +702,7 @@ O(0) 6.059e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -771,7 +771,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.227e-06 Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06 Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06 Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 51 Iterations = 51
@ -820,7 +820,7 @@ O(0) 6.027e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -866,7 +866,7 @@ Initial solution 0. New infilling solution, same as background solution
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07 Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07 Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4 Iterations = 4
@ -902,7 +902,7 @@ O(0) 6.250e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -953,7 +953,7 @@ Using solution 10. Solution after simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.227e-06 Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06 Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06 Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 0 Iterations = 0
@ -1002,7 +1002,7 @@ O(0) 6.027e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1071,7 +1071,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.229e-05 Total alkalinity (eq/kg) = 1.229e-05
Total CO2 (mol/kg) = 2.855e-06 Total CO2 (mol/kg) = 2.855e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06 Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 49 Iterations = 49
@ -1120,7 +1120,7 @@ O(0) 6.005e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1189,7 +1189,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.418e-05 Total alkalinity (eq/kg) = 1.418e-05
Total CO2 (mol/kg) = 2.617e-06 Total CO2 (mol/kg) = 2.617e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.697e-07 Electrical balance (eq) = -4.697e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 47 Iterations = 47
@ -1238,7 +1238,7 @@ O(0) 6.029e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1307,7 +1307,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.435e-05 Total alkalinity (eq/kg) = 1.435e-05
Total CO2 (mol/kg) = 2.207e-06 Total CO2 (mol/kg) = 2.207e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.384e-07 Electrical balance (eq) = 8.384e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 18 Iterations = 18
@ -1356,7 +1356,7 @@ O(0) 6.072e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1425,7 +1425,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.265e-05 Total alkalinity (eq/kg) = 1.265e-05
Total CO2 (mol/kg) = 1.847e-06 Total CO2 (mol/kg) = 1.847e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 19 Iterations = 19
@ -1474,7 +1474,7 @@ O(0) 6.109e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1543,7 +1543,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.478e-06 Total alkalinity (eq/kg) = 9.478e-06
Total CO2 (mol/kg) = 1.473e-06 Total CO2 (mol/kg) = 1.473e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50 Iterations = 50
@ -1592,7 +1592,7 @@ O(0) 6.148e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1661,7 +1661,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.102e-06 Total alkalinity (eq/kg) = 6.102e-06
Total CO2 (mol/kg) = 1.132e-06 Total CO2 (mol/kg) = 1.132e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50 Iterations = 50
@ -1710,7 +1710,7 @@ O(0) 6.184e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1779,7 +1779,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.419e-06 Total alkalinity (eq/kg) = 3.419e-06
Total CO2 (mol/kg) = 8.578e-07 Total CO2 (mol/kg) = 8.578e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 20 Iterations = 20
@ -1828,7 +1828,7 @@ O(0) 6.212e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -1897,7 +1897,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.709e-06 Total alkalinity (eq/kg) = 1.709e-06
Total CO2 (mol/kg) = 6.715e-07 Total CO2 (mol/kg) = 6.715e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 22 Iterations = 22
@ -1946,7 +1946,7 @@ O(0) 6.232e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -2015,7 +2015,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.065e-07 Total alkalinity (eq/kg) = 8.065e-07
Total CO2 (mol/kg) = 5.676e-07 Total CO2 (mol/kg) = 5.676e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23 Iterations = 23
@ -2064,7 +2064,7 @@ O(0) 6.242e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -2133,7 +2133,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.997e-07 Total alkalinity (eq/kg) = 3.997e-07
Total CO2 (mol/kg) = 5.197e-07 Total CO2 (mol/kg) = 5.197e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23 Iterations = 23
@ -2182,7 +2182,7 @@ O(0) 6.247e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
@ -2251,7 +2251,7 @@ Kinetics 10. Kinetics defined in simulation 3.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.359e-07 Total alkalinity (eq/kg) = 2.359e-07
Total CO2 (mol/kg) = 5.005e-07 Total CO2 (mol/kg) = 5.005e-07
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07 Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23 Iterations = 23
@ -2300,7 +2300,7 @@ O(0) 6.249e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)

8
ex16.out
View File

@ -85,7 +85,7 @@ Initial solution 1.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-04 Total carbon (mol/kg) = 7.825e-04
Total CO2 (mol/kg) = 7.825e-04 Total CO2 (mol/kg) = 7.825e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.400e-05 Electrical balance (eq) = 1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
Iterations = 7 Iterations = 7
@ -154,7 +154,7 @@ Si 2.730e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -4.84 -9.20 -4.36 CaSO4 Anhydrite -4.84 -9.20 -4.36 CaSO4
Aragonite -3.44 -11.78 -8.34 CaCO3 Aragonite -3.44 -11.78 -8.34 CaCO3
@ -201,7 +201,7 @@ Initial solution 2.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-03 Total carbon (mol/kg) = 1.199e-03
Total CO2 (mol/kg) = 1.199e-03 Total CO2 (mol/kg) = 1.199e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.400e-05 Electrical balance (eq) = -1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
Iterations = 6 Iterations = 6
@ -270,7 +270,7 @@ Si 4.100e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.99 -8.35 -4.36 CaSO4 Anhydrite -3.99 -8.35 -4.36 CaSO4
Aragonite -1.92 -10.26 -8.34 CaCO3 Aragonite -1.92 -10.26 -8.34 CaCO3

8
ex17.out
View File

@ -95,7 +95,7 @@ Initial solution 1. Black Sea water
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.625e-04 Total alkalinity (eq/kg) = 8.625e-04
Total CO2 (mol/kg) = 8.284e-04 Total CO2 (mol/kg) = 8.284e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.240e-03 Electrical balance (eq) = 2.240e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 5 Iterations = 5
@ -164,7 +164,7 @@ S(6) 1.527e-02
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.16 -5.52 -4.36 CaSO4 Anhydrite -1.16 -5.52 -4.36 CaSO4
Aragonite -0.15 -8.49 -8.34 CaCO3 Aragonite -0.15 -8.49 -8.34 CaCO3
@ -204,7 +204,7 @@ Initial solution 2. Composition during halite precipitation
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.195e-06 Total alkalinity (eq/kg) = -9.195e-06
Total CO2 (mol/kg) = 7.019e-06 Total CO2 (mol/kg) = 7.019e-06
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.491e-02 Electrical balance (eq) = 4.491e-02
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 10 Iterations = 10
@ -262,7 +262,7 @@ S(6) 8.986e-01
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
CH4(g) -49.53 -52.39 -2.86 CH4 CH4(g) -49.53 -52.39 -2.86 CH4
CO2(g) -3.50 -4.97 -1.47 CO2 CO2(g) -3.50 -4.97 -1.47 CO2

8
ex18.out
View File

@ -124,7 +124,7 @@ Initial solution 1. Recharge number 3
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.016e-03 Total alkalinity (eq/kg) = 4.016e-03
Total CO2 (mol/kg) = 4.300e-03 Total CO2 (mol/kg) = 4.300e-03
Temperature (deg C) = 9.900 Temperature (deg C) = 9.90
Electrical balance (eq) = 1.061e-04 Electrical balance (eq) = 1.061e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
Iterations = 8 Iterations = 8
@ -202,7 +202,7 @@ S(6) 1.600e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(283 K, 1 atm)
Anhydrite -2.76 -7.09 -4.34 CaSO4 Anhydrite -2.76 -7.09 -4.34 CaSO4
Aragonite -0.21 -8.46 -8.25 CaCO3 Aragonite -0.21 -8.46 -8.25 CaCO3
@ -247,7 +247,7 @@ Initial solution 2. Mysse
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.258e-03 Total alkalinity (eq/kg) = 5.258e-03
Total CO2 (mol/kg) = 6.870e-03 Total CO2 (mol/kg) = 6.870e-03
Temperature (deg C) = 63.000 Temperature (deg C) = 63.00
Electrical balance (eq) = 3.242e-03 Electrical balance (eq) = 3.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20
Iterations = 8 Iterations = 8
@ -339,7 +339,7 @@ S(6) 1.986e-02
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(336 K, 1 atm)
Anhydrite -0.14 -4.85 -4.71 CaSO4 Anhydrite -0.14 -4.85 -4.71 CaSO4
Aragonite 0.18 -8.49 -8.67 CaCO3 Aragonite 0.18 -8.49 -8.67 CaCO3

780
ex2.out
View File

File diff suppressed because it is too large Load Diff

24
ex2.sel
View File

@ -7,17 +7,17 @@
1 react 1 -99 0 5 7.01353 10.4117 29.000 -0.2025 -0.0000 1 react 1 -99 0 5 7.01353 10.4117 29.000 -0.2025 -0.0000
1 react 1 -99 0 6 7.00051 10.3533 30.000 -0.1977 0.0000 1 react 1 -99 0 6 7.00051 10.3533 30.000 -0.1977 0.0000
1 react 1 -99 0 7 6.9876 10.2767 31.000 -0.1928 0.0000 1 react 1 -99 0 7 6.9876 10.2767 31.000 -0.1928 0.0000
1 react 1 -99 0 8 6.97482 10.2102 32.000 -0.1877 0.0000 1 react 1 -99 0 8 6.97482 10.2106 32.000 -0.1877 -0.0000
1 react 1 -99 0 9 6.96217 10.1506 33.000 -0.1824 0.0000 1 react 1 -99 0 9 6.96217 10.1506 33.000 -0.1824 0.0000
1 react 1 -99 0 10 6.94965 10.0794 34.000 -0.1769 0.0000 1 react 1 -99 0 10 6.94965 10.0794 34.000 -0.1769 0.0000
1 react 1 -99 0 11 6.93726 10.0126 35.000 -0.1713 -0.0000 1 react 1 -99 0 11 6.93726 10.0126 35.000 -0.1713 -0.0000
1 react 1 -99 0 12 6.925 9.94892 36.000 -0.1655 -0.0000 1 react 1 -99 0 12 6.925 9.94892 36.000 -0.1655 -0.0000
1 react 1 -99 0 13 6.91288 9.88299 37.000 -0.1595 0.0000 1 react 1 -99 0 13 6.91288 9.88309 37.000 -0.1595 -0.0000
1 react 1 -99 0 14 6.90089 9.81726 38.000 -0.1533 0.0000 1 react 1 -99 0 14 6.90089 9.81981 38.000 -0.1533 -0.0000
1 react 1 -99 0 15 6.88905 9.75517 39.000 -0.1470 0.0000 1 react 1 -99 0 15 6.88905 9.76882 39.000 -0.1470 0.0000
1 react 1 -99 0 16 6.87734 9.69217 40.000 -0.1406 0.0000 1 react 1 -99 0 16 6.87734 9.69217 40.000 -0.1406 0.0000
1 react 1 -99 0 17 6.86578 9.62821 41.000 -0.1340 -0.0000 1 react 1 -99 0 17 6.86578 9.62821 41.000 -0.1340 -0.0000
1 react 1 -99 0 18 6.85435 9.56532 42.000 -0.1272 -0.0000 1 react 1 -99 0 18 6.85435 9.56599 42.000 -0.1272 -0.0000
1 react 1 -99 0 19 6.84307 9.50402 43.000 -0.1203 0.0000 1 react 1 -99 0 19 6.84307 9.50402 43.000 -0.1203 0.0000
1 react 1 -99 0 20 6.83193 9.44218 44.000 -0.1132 0.0000 1 react 1 -99 0 20 6.83193 9.44218 44.000 -0.1132 0.0000
1 react 1 -99 0 21 6.82093 9.37811 45.000 -0.1060 0.0000 1 react 1 -99 0 21 6.82093 9.37811 45.000 -0.1060 0.0000
@ -28,16 +28,16 @@
1 react 1 -99 0 26 6.76807 9.07108 50.000 -0.0678 -0.0000 1 react 1 -99 0 26 6.76807 9.07108 50.000 -0.0678 -0.0000
1 react 1 -99 0 27 6.75793 9.01079 51.000 -0.0597 -0.0000 1 react 1 -99 0 27 6.75793 9.01079 51.000 -0.0597 -0.0000
1 react 1 -99 0 28 6.74792 8.95305 52.000 -0.0515 0.0000 1 react 1 -99 0 28 6.74792 8.95305 52.000 -0.0515 0.0000
1 react 1 -99 0 29 6.73806 8.89146 53.000 -0.0432 0.0000 1 react 1 -99 0 29 6.73806 8.89279 53.000 -0.0432 -0.0000
1 react 1 -99 0 30 6.72833 8.83192 54.000 -0.0347 0.0000 1 react 1 -99 0 30 6.72833 8.83192 54.000 -0.0347 0.0000
1 react 1 -99 0 31 6.71874 8.77271 55.000 -0.0261 0.0000 1 react 1 -99 0 31 6.71874 8.77263 55.000 -0.0261 0.0000
1 react 1 -99 0 32 6.7093 8.71757 56.000 -0.0174 0.0000 1 react 1 -99 0 32 6.7093 8.71757 56.000 -0.0174 0.0000
1 react 1 -99 0 33 6.69999 8.65596 57.000 -0.0085 -0.0000 1 react 1 -99 0 33 6.69999 8.70405 57.000 -0.0085 -0.0000
1 react 1 -99 0 34 6.69076 8.63821 58.000 0.0000 -0.0004 1 react 1 -99 0 34 6.69076 8.58975 58.000 0.0000 -0.0004
1 react 1 -99 0 35 6.68054 8.5322 59.000 0.0000 -0.0095 1 react 1 -99 0 35 6.68054 8.5322 59.000 0.0000 -0.0095
1 react 1 -99 0 36 6.67043 8.47682 60.000 0.0000 -0.0187 1 react 1 -99 0 36 6.67043 8.47682 60.000 0.0000 -0.0187
1 react 1 -99 0 37 6.66041 8.42234 61.000 0.0000 -0.0280 1 react 1 -99 0 37 6.66041 8.42234 61.000 0.0000 -0.0280
1 react 1 -99 0 38 6.65049 8.3646 62.000 0.0000 -0.0375 1 react 1 -99 0 38 6.65049 8.36438 62.000 0.0000 -0.0375
1 react 1 -99 0 39 6.64066 8.35744 63.000 0.0000 -0.0471 1 react 1 -99 0 39 6.64066 8.35744 63.000 0.0000 -0.0471
1 react 1 -99 0 40 6.63093 8.254 64.000 0.0000 -0.0567 1 react 1 -99 0 40 6.63093 8.254 64.000 0.0000 -0.0567
1 react 1 -99 0 41 6.62129 8.20879 65.000 0.0000 -0.0665 1 react 1 -99 0 41 6.62129 8.20879 65.000 0.0000 -0.0665
@ -47,7 +47,7 @@
1 react 1 -99 0 45 6.58367 7.98331 69.000 0.0000 -0.1068 1 react 1 -99 0 45 6.58367 7.98331 69.000 0.0000 -0.1068
1 react 1 -99 0 46 6.57449 7.93069 70.000 0.0000 -0.1171 1 react 1 -99 0 46 6.57449 7.93069 70.000 0.0000 -0.1171
1 react 1 -99 0 47 6.5654 7.87687 71.000 0.0000 -0.1276 1 react 1 -99 0 47 6.5654 7.87687 71.000 0.0000 -0.1276
1 react 1 -99 0 48 6.55641 7.82351 72.000 0.0000 -0.1381 1 react 1 -99 0 48 6.55641 7.82424 72.000 0.0000 -0.1381
1 react 1 -99 0 49 6.5475 7.76919 73.000 0.0000 -0.1488 1 react 1 -99 0 49 6.5475 7.76874 73.000 0.0000 -0.1488
1 react 1 -99 0 50 6.53867 7.71721 74.000 0.0000 -0.1595 1 react 1 -99 0 50 6.53867 7.71721 74.000 0.0000 -0.1595
1 react 1 -99 0 51 6.52994 7.66605 75.000 0.0000 -0.1704 1 react 1 -99 0 51 6.52994 7.66605 75.000 0.0000 -0.1704

40
ex3.out
View File

@ -58,7 +58,7 @@ Initial solution 1. Pure water
Total alkalinity (eq/kg) = 1.082e-10 Total alkalinity (eq/kg) = 1.082e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0 Iterations = 0
@ -80,7 +80,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.00 -25.15 -3.15 H2 H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O H2O(g) -1.51 0.00 1.51 H2O
@ -99,10 +99,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03 CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -122,7 +122,7 @@ CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.291e-03 Total alkalinity (eq/kg) = 3.291e-03
Total CO2 (mol/kg) = 3.622e-03 Total CO2 (mol/kg) = 3.622e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16 Iterations = 16
@ -157,7 +157,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
@ -228,7 +228,7 @@ Initial solution 2. Seawater
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.180e-03 Total carbon (mol/kg) = 2.180e-03
Total CO2 (mol/kg) = 2.180e-03 Total CO2 (mol/kg) = 2.180e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.967e-04 Electrical balance (eq) = 7.967e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7 Iterations = 7
@ -297,7 +297,7 @@ Si 7.382e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.84 -5.20 -4.36 CaSO4 Anhydrite -0.84 -5.20 -4.36 CaSO4
Aragonite 0.61 -7.72 -8.34 CaCO3 Aragonite 0.61 -7.72 -8.34 CaCO3
@ -375,7 +375,7 @@ Mixture 1.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.026e-03 Total alkalinity (eq/kg) = 3.026e-03
Total CO2 (mol/kg) = 3.189e-03 Total CO2 (mol/kg) = 3.189e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 13 Iterations = 13
@ -450,7 +450,7 @@ Si 2.215e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.34 -5.70 -4.36 CaSO4 Anhydrite -1.34 -5.70 -4.36 CaSO4
Aragonite -0.25 -8.58 -8.34 CaCO3 Aragonite -0.25 -8.58 -8.34 CaCO3
@ -506,10 +506,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.571e-02 Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.571e-02
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03 Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -535,7 +535,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.704e-03 Total alkalinity (eq/kg) = 2.704e-03
Total CO2 (mol/kg) = 3.029e-03 Total CO2 (mol/kg) = 3.029e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 5 Iterations = 5
@ -610,7 +610,7 @@ Si 2.215e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.89 -5.25 -4.36 CaSO4 Anhydrite -0.89 -5.25 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -665,9 +665,9 @@ Using pure phase assemblage 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05 Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -693,7 +693,7 @@ Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.106e-03 Total alkalinity (eq/kg) = 3.106e-03
Total CO2 (mol/kg) = 3.229e-03 Total CO2 (mol/kg) = 3.229e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 3 Iterations = 3
@ -768,7 +768,7 @@ Si 2.215e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.34 -5.70 -4.36 CaSO4 Anhydrite -1.34 -5.70 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3

12
ex4.out
View File

@ -75,7 +75,7 @@ Initial solution 1. Precipitation from Central Oklahoma
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.185e-05 Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.092e-05 Total CO2 (mol/kg) = 1.092e-05
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-05 Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
Iterations = 3 Iterations = 3
@ -153,7 +153,7 @@ S(6) 1.353e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -5.57 -9.93 -4.36 CaSO4 Anhydrite -5.57 -9.93 -4.36 CaSO4
Aragonite -9.35 -17.69 -8.34 CaCO3 Aragonite -9.35 -17.69 -8.34 CaCO3
@ -215,7 +215,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
Mass of water (kg) = 5.002e-02 Mass of water (kg) = 5.002e-02
Total alkalinity (eq/kg) = -7.555e-04 Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-04 Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-05 Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 32 Iterations = 32
@ -297,7 +297,7 @@ S(6) 2.706e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.13 -7.49 -4.36 CaSO4 Anhydrite -3.13 -7.49 -4.36 CaSO4
Aragonite -9.52 -17.85 -8.34 CaCO3 Aragonite -9.52 -17.85 -8.34 CaCO3
@ -371,7 +371,7 @@ Mixture 1.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-04 Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-04 Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 5.162e-04 Electrical balance (eq) = 5.162e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 0 Iterations = 0
@ -453,7 +453,7 @@ S(6) 2.706e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -3.13 -7.49 -4.36 CaSO4 Anhydrite -3.13 -7.49 -4.36 CaSO4
Aragonite -9.52 -17.85 -8.34 CaCO3 Aragonite -9.52 -17.85 -8.34 CaCO3

84
ex5.out
View File

@ -69,7 +69,7 @@ Initial solution 1. PURE WATER
Total alkalinity (eq/kg) = 1.082e-10 Total alkalinity (eq/kg) = 1.082e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0 Iterations = 0
@ -91,7 +91,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.00 -25.15 -3.15 H2 H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O H2O(g) -1.51 0.00 1.51 H2O
@ -127,13 +127,13 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.934e-04 Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.934e-04
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 -4.870e-04 CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 -4.870e-04
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.105e-08 Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.105e-08
Gypsum -6.13 -10.71 -4.58 0.000e+00 0 0.000e+00 Gypsum -6.13 -10.71 -4.58 0.000e+00 0 0.000e+00
Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.154e-08 Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.154e-08
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -155,7 +155,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.154e-08
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.867e-04 Total alkalinity (eq/kg) = 9.867e-04
Total CO2 (mol/kg) = 9.803e-04 Total CO2 (mol/kg) = 9.803e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14 Iterations = 14
@ -230,7 +230,7 @@ S(6) 6.057e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -6.35 -10.71 -4.36 CaSO4 Anhydrite -6.35 -10.71 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -278,13 +278,13 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.277e-04 Calcite -0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.277e-04
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.418e-04 CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.418e-04
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04 Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04
Gypsum -2.02 -6.60 -4.58 0.000e+00 0 0.000e+00 Gypsum -2.02 -6.60 -4.58 0.000e+00 0 0.000e+00
Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -308,7 +308,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.887e-04 Total alkalinity (eq/kg) = 7.887e-04
Total CO2 (mol/kg) = 7.859e-04 Total CO2 (mol/kg) = 7.859e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24 Iterations = 24
@ -402,7 +402,7 @@ S(6) 5.333e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -2.24 -6.60 -4.36 CaSO4 Anhydrite -2.24 -6.60 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -451,13 +451,13 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.937e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.937e-03
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.395e-03 CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.395e-03
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03
Gypsum -1.06 -5.64 -4.58 0.000e+00 0 0.000e+00 Gypsum -1.06 -5.64 -4.58 0.000e+00 0 0.000e+00
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -481,7 +481,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.415e-04 Total alkalinity (eq/kg) = 5.415e-04
Total CO2 (mol/kg) = 5.424e-04 Total CO2 (mol/kg) = 5.424e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25 Iterations = 25
@ -575,7 +575,7 @@ S(6) 2.667e-03
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -1.28 -5.64 -4.36 CaSO4 Anhydrite -1.28 -5.64 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -624,13 +624,13 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.559e-03 Calcite -0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.559e-03
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.105e-03 CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.105e-03
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03 Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03
Gypsum -0.65 -5.23 -4.58 0.000e+00 0 0.000e+00 Gypsum -0.65 -5.23 -4.58 0.000e+00 0 0.000e+00
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -654,7 +654,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.522e-04 Total alkalinity (eq/kg) = 4.522e-04
Total CO2 (mol/kg) = 4.540e-04 Total CO2 (mol/kg) = 4.540e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25 Iterations = 25
@ -748,7 +748,7 @@ S(6) 5.333e-03
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.87 -5.23 -4.36 CaSO4 Anhydrite -0.87 -5.23 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
@ -797,13 +797,13 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02 Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.649e-02 CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.649e-02
Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02 Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02
Gypsum -0.00 -4.58 -4.58 0.000e+00 9.002e-03 9.002e-03 Gypsum -0.00 -4.58 -4.58 0.000e+00 9.002e-03 9.002e-03
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02 Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -827,7 +827,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
Mass of water (kg) = 9.996e-01 Mass of water (kg) = 9.996e-01
Total alkalinity (eq/kg) = 3.499e-04 Total alkalinity (eq/kg) = 3.499e-04
Total CO2 (mol/kg) = 3.526e-04 Total CO2 (mol/kg) = 3.526e-04
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.778e-11 Electrical balance (eq) = -4.778e-11
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25 Iterations = 25
@ -921,7 +921,7 @@ S(6) 1.767e-02
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.22 -4.58 -4.36 CaSO4 Anhydrite -0.22 -4.58 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3

376
ex6.out
View File

@ -76,7 +76,7 @@ Initial solution 1. PURE WATER
Total alkalinity (eq/kg) = 3.121e-18 Total alkalinity (eq/kg) = 3.121e-18
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.121e-18 Electrical balance (eq) = -3.121e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 2 Iterations = 2
@ -98,7 +98,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.00 -25.15 -3.15 H2 H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -141,13 +141,13 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08 KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08
K-feldspar -14.68 -13.81 0.88 0.000e+00 0 0.000e+00 K-feldspar -14.68 -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 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 Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -169,7 +169,7 @@ Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.068e-07 Total alkalinity (eq/kg) = 1.068e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.300e-17 Electrical balance (eq) = -5.300e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9 Iterations = 9
@ -204,7 +204,7 @@ Si 8.013e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.55 -7.10 -3.55 SiO2 Chalcedony -3.55 -7.10 -3.55 SiO2
@ -255,13 +255,13 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 K-mica -1.86 11.11 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.00 5.71 5.71 Kaolinite -0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06 KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -283,7 +283,7 @@ Kaolinite -0.00 5.71 5.71
Total alkalinity (eq/kg) = 3.369e-06 Total alkalinity (eq/kg) = 3.369e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.876e-15 Electrical balance (eq) = -1.876e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13 Iterations = 13
@ -318,7 +318,7 @@ Si 6.536e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2 Chalcedony -1.64 -5.20 -3.55 SiO2
@ -369,13 +369,13 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-feldspar -2.55 -1.67 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 K-mica 0.00 12.97 12.97
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.001e-05 KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.001e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06 Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -397,7 +397,7 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06
Total alkalinity (eq/kg) = 2.177e-05 Total alkalinity (eq/kg) = 2.177e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.710e-15 Electrical balance (eq) = 2.710e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 Iterations = 13
@ -432,7 +432,7 @@ Si 4.062e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3 Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3
Chalcedony -0.92 -4.47 -3.55 SiO2 Chalcedony -0.92 -4.47 -3.55 SiO2
@ -483,13 +483,13 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar 0.00 0.88 0.88 K-feldspar 0.00 0.88 0.88
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04 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 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 Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -511,7 +511,7 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.275e-04 Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.515e-14 Electrical balance (eq) = -2.515e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16 Iterations = 16
@ -546,7 +546,7 @@ Si 3.818e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2 Chalcedony -0.00 -3.55 -3.55 SiO2
@ -595,11 +595,11 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 Gibbsite -0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06 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 Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -621,7 +621,7 @@ Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
Total alkalinity (eq/kg) = 4.671e-06 Total alkalinity (eq/kg) = 4.671e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.000e-18 Electrical balance (eq) = -3.000e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13 Iterations = 13
@ -656,7 +656,7 @@ Si 6.596e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2 Chalcedony -1.64 -5.20 -3.55 SiO2
@ -705,11 +705,11 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 K-mica -0.00 12.97 12.97 1.000e+00 1.000e+00 1.079e-05
Kaolinite -0.00 5.71 5.71 Kaolinite -0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.268e-05 KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.268e-05
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -731,7 +731,7 @@ Kaolinite -0.00 5.71 5.71
Total alkalinity (eq/kg) = 2.288e-05 Total alkalinity (eq/kg) = 2.288e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.107e-18 Electrical balance (eq) = -3.107e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13 Iterations = 13
@ -766,7 +766,7 @@ Si 6.569e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.69 7.11 10.80 Al(OH)3 Al(OH)3(a) -3.69 7.11 10.80 Al(OH)3
Chalcedony -0.70 -4.25 -3.55 SiO2 Chalcedony -0.70 -4.25 -3.55 SiO2
@ -836,12 +836,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.187e-08 1.187e-08 Gibbsite 0.00 8.05 8.05 0.000e+00 1.187e-08 1.187e-08
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -863,7 +863,7 @@ Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.244e-07 Total alkalinity (eq/kg) = 1.244e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.760e-18 Electrical balance (eq) = -2.760e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9 Iterations = 9
@ -898,7 +898,7 @@ Si 1.200e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.37 -6.92 -3.55 SiO2 Chalcedony -3.37 -6.92 -3.55 SiO2
@ -938,12 +938,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 4.713e-08 4.713e-08 Gibbsite 0.00 8.05 8.05 0.000e+00 4.713e-08 4.713e-08
K-feldspar -12.68 -11.80 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -965,7 +965,7 @@ Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.786e-07 Total alkalinity (eq/kg) = 1.786e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.120e-18 Electrical balance (eq) = -3.120e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1000,7 +1000,7 @@ Si 2.400e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.07 -6.62 -3.55 SiO2 Chalcedony -3.07 -6.62 -3.55 SiO2
@ -1040,12 +1040,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 1.160e-07 1.160e-07 Gibbsite -0.00 8.05 8.05 0.000e+00 1.160e-07 1.160e-07
K-feldspar -11.34 -10.47 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1067,7 +1067,7 @@ Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 2.919e-07 Total alkalinity (eq/kg) = 2.919e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.322e-18 Electrical balance (eq) = -3.322e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1102,7 +1102,7 @@ Si 4.800e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.77 -6.32 -3.55 SiO2 Chalcedony -2.77 -6.32 -3.55 SiO2
@ -1142,12 +1142,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 2.499e-07 2.499e-07 Gibbsite -0.00 8.05 8.05 0.000e+00 2.499e-07 2.499e-07
K-feldspar -9.93 -9.05 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1169,7 +1169,7 @@ Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 5.302e-07 Total alkalinity (eq/kg) = 5.302e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.281e-15 Electrical balance (eq) = -1.281e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1204,7 +1204,7 @@ Si 9.600e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.47 -6.02 -3.55 SiO2 Chalcedony -2.47 -6.02 -3.55 SiO2
@ -1244,12 +1244,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 5.130e-07 5.130e-07 Gibbsite -0.00 8.05 8.05 0.000e+00 5.130e-07 5.130e-07
K-feldspar -8.47 -7.59 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1271,7 +1271,7 @@ Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.021e-06 Total alkalinity (eq/kg) = 1.021e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.096e-15 Electrical balance (eq) = -5.096e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1306,7 +1306,7 @@ Si 1.920e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.17 -5.72 -3.55 SiO2 Chalcedony -2.17 -5.72 -3.55 SiO2
@ -1346,12 +1346,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 8.081e-07 8.081e-07 Gibbsite 0.00 8.05 8.05 0.000e+00 8.081e-07 8.081e-07
K-feldspar -7.51 -6.64 0.88 0.000e+00 0 0.000e+00 K-feldspar -7.51 -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 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 Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1373,7 +1373,7 @@ Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.576e-06 Total alkalinity (eq/kg) = 1.576e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.467e-17 Electrical balance (eq) = -2.467e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11 Iterations = 11
@ -1408,7 +1408,7 @@ Si 3.000e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.98 -5.53 -3.55 SiO2 Chalcedony -1.98 -5.53 -3.55 SiO2
@ -1448,12 +1448,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.633e-06 1.633e-06 Gibbsite 0.00 8.05 8.05 0.000e+00 1.633e-06 1.633e-06
K-feldspar -6.04 -5.17 0.88 0.000e+00 0 0.000e+00 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 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 Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1475,7 +1475,7 @@ Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 3.100e-06 Total alkalinity (eq/kg) = 3.100e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.552e-15 Electrical balance (eq) = -4.552e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11 Iterations = 11
@ -1510,7 +1510,7 @@ Si 6.000e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.68 -5.23 -3.55 SiO2 Chalcedony -1.68 -5.23 -3.55 SiO2
@ -1550,12 +1550,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 Kaolinite 0.00 5.71 5.71 0.000e+00 1.712e-06 1.712e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1577,7 +1577,7 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 1.712e-06 1.712e-06
Total alkalinity (eq/kg) = 5.728e-06 Total alkalinity (eq/kg) = 5.728e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.084e-16 Electrical balance (eq) = 2.084e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12 Iterations = 12
@ -1612,7 +1612,7 @@ Si 8.576e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3 Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3
Chalcedony -1.53 -5.09 -3.55 SiO2 Chalcedony -1.53 -5.09 -3.55 SiO2
@ -1652,12 +1652,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 Kaolinite -0.00 5.71 5.71 0.000e+00 3.695e-06 3.695e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1679,7 +1679,7 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 3.695e-06 3.695e-06
Total alkalinity (eq/kg) = 9.833e-06 Total alkalinity (eq/kg) = 9.833e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.120e-18 Electrical balance (eq) = -3.120e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13 Iterations = 13
@ -1714,7 +1714,7 @@ Si 1.661e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3 Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3
Chalcedony -1.27 -4.82 -3.55 SiO2 Chalcedony -1.27 -4.82 -3.55 SiO2
@ -1754,12 +1754,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 Kaolinite 0.00 5.71 5.71 0.000e+00 7.701e-06 7.701e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1781,7 +1781,7 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 7.701e-06 7.701e-06
Total alkalinity (eq/kg) = 1.780e-05 Total alkalinity (eq/kg) = 1.780e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.394e-16 Electrical balance (eq) = 1.394e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14 Iterations = 14
@ -1816,7 +1816,7 @@ Si 3.260e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3 Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3
Chalcedony -1.00 -4.55 -3.55 SiO2 Chalcedony -1.00 -4.55 -3.55 SiO2
@ -1856,12 +1856,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 5.270e-07 5.270e-07 Kaolinite -0.00 5.71 5.71 0.000e+00 5.270e-07 5.270e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1883,7 +1883,7 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 5.270e-07 5.270e-07
Total alkalinity (eq/kg) = 2.280e-05 Total alkalinity (eq/kg) = 2.280e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.726e-14 Electrical balance (eq) = 4.726e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13 Iterations = 13
@ -1918,7 +1918,7 @@ Si 6.434e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3 Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3
Chalcedony -0.71 -4.26 -3.55 SiO2 Chalcedony -0.71 -4.26 -3.55 SiO2
@ -1958,12 +1958,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 Kaolinite -0.30 5.41 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1985,7 +1985,7 @@ Kaolinite -0.30 5.41 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 4.327e-05 Total alkalinity (eq/kg) = 4.327e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.256e-18 Electrical balance (eq) = -3.256e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15 Iterations = 15
@ -2020,7 +2020,7 @@ Si 1.282e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.11 6.69 10.80 Al(OH)3 Al(OH)3(a) -4.11 6.69 10.80 Al(OH)3
Chalcedony -0.44 -3.99 -3.55 SiO2 Chalcedony -0.44 -3.99 -3.55 SiO2
@ -2060,12 +2060,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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-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 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 Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2087,7 +2087,7 @@ Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 6.706e-05 Total alkalinity (eq/kg) = 6.706e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.607e-14 Electrical balance (eq) = -3.607e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14 Iterations = 14
@ -2122,7 +2122,7 @@ Si 2.001e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3 Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3
Chalcedony -0.26 -3.81 -3.55 SiO2 Chalcedony -0.26 -3.81 -3.55 SiO2
@ -2162,12 +2162,12 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 9.120e-06 9.120e-06 K-feldspar -0.00 0.87 0.88 0.000e+00 9.120e-06 9.120e-06
K-mica -0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05 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 Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2189,7 +2189,7 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.275e-04 Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 9.843e-15 Electrical balance (eq) = 9.843e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 15 Iterations = 15
@ -2224,7 +2224,7 @@ Si 3.818e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2 Chalcedony -0.00 -3.55 -3.55 SiO2
@ -2362,7 +2362,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.086e-10 Total alkalinity (eq/kg) = 1.086e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 3 Iterations = 3
@ -2397,7 +2397,7 @@ Si 3.000e-13
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3 Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3
Chalcedony -8.97 -12.52 -3.55 SiO2 Chalcedony -8.97 -12.52 -3.55 SiO2
@ -2439,11 +2439,11 @@ Kinetics 1. Kinetics defined in simulation 9.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 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 Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2465,7 +2465,7 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 5.171e-09 Total alkalinity (eq/kg) = 5.171e-09
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 34 Iterations = 34
@ -2500,7 +2500,7 @@ Si 3.797e-09
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3 Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
Chalcedony -4.87 -8.42 -3.55 SiO2 Chalcedony -4.87 -8.42 -3.55 SiO2
@ -2538,11 +2538,11 @@ Kinetics 1. Kinetics defined in simulation 9.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 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 Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2564,7 +2564,7 @@ Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 5.579e-08 Total alkalinity (eq/kg) = 5.579e-08
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 9 Iterations = 9
@ -2599,7 +2599,7 @@ Si 4.176e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3 Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
Chalcedony -3.83 -7.38 -3.55 SiO2 Chalcedony -3.83 -7.38 -3.55 SiO2
@ -2638,11 +2638,11 @@ A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 9.936e-08 9.936e-08 Gibbsite -0.00 8.05 8.05 0.000e+00 9.936e-08 9.936e-08
K-mica -7.59 5.38 12.97 0.000e+00 0 0.000e+00 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 Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2664,7 +2664,7 @@ Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 2.639e-07 Total alkalinity (eq/kg) = 2.639e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 10 Iterations = 10
@ -2699,7 +2699,7 @@ Si 4.214e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.82 -6.38 -3.55 SiO2 Chalcedony -2.82 -6.38 -3.55 SiO2
@ -2738,11 +2738,11 @@ A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 9.936e-08 1.142e-06 1.043e-06 Gibbsite -0.00 8.05 8.05 9.936e-08 1.142e-06 1.043e-06
K-mica -2.79 10.18 12.97 0.000e+00 0 0.000e+00 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 Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2764,7 +2764,7 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 2.198e-06 Total alkalinity (eq/kg) = 2.198e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 67 Iterations = 67
@ -2799,7 +2799,7 @@ Si 4.218e-06
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3 Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.83 -5.38 -3.55 SiO2 Chalcedony -1.83 -5.38 -3.55 SiO2
@ -2840,11 +2840,11 @@ C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8352e+00 -5.1943e+00
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 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 6.727e-06 6.727e-06 Kaolinite -0.00 5.71 5.71 0.000e+00 6.727e-06 6.727e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2866,7 +2866,7 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 6.727e-06 6.727e-06
Total alkalinity (eq/kg) = 1.587e-05 Total alkalinity (eq/kg) = 1.587e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 468 Iterations = 468
@ -2901,7 +2901,7 @@ Si 2.872e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3 Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
Chalcedony -1.05 -4.60 -3.55 SiO2 Chalcedony -1.05 -4.60 -3.55 SiO2
@ -2944,11 +2944,11 @@ E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4103e+00 -4.2509e+00
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 K-mica 0.00 12.97 12.97 0.000e+00 4.218e-05 4.218e-05
Kaolinite -0.57 5.14 5.71 6.727e-06 0 -6.727e-06 Kaolinite -0.57 5.14 5.71 6.727e-06 0 -6.727e-06
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -2970,7 +2970,7 @@ Kaolinite -0.57 5.14 5.71 6.727e-06 0 -6.727e-06
Total alkalinity (eq/kg) = 8.472e-05 Total alkalinity (eq/kg) = 8.472e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.113e-10 Electrical balance (eq) = -1.113e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3147 Iterations = 3147
@ -3005,7 +3005,7 @@ Si 2.533e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3 Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
Chalcedony -0.17 -3.72 -3.55 SiO2 Chalcedony -0.17 -3.72 -3.55 SiO2
@ -3049,11 +3049,11 @@ F: K-mica -> K-feldspar 4.7840e+07 1.9072e-04 5.4879e+00 -3.5540e+00
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta 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 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 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 Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -3075,7 +3075,7 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
Total alkalinity (eq/kg) = 1.275e-04 Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.114e-10 Electrical balance (eq) = -1.114e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 1844 Iterations = 1844
@ -3110,7 +3110,7 @@ Si 3.818e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3 Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2 Chalcedony -0.00 -3.55 -3.55 SiO2

190
ex7.out
View File

@ -66,7 +66,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.082e-10 Total alkalinity (eq/kg) = 1.082e-10
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0 Iterations = 0
@ -88,7 +88,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.00 -25.15 -3.15 H2 H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O H2O(g) -1.51 0.00 1.51 H2O
@ -107,10 +107,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.502e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.502e-03
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03 CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -130,7 +130,7 @@ CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.004e-03 Total alkalinity (eq/kg) = 5.004e-03
Total CO2 (mol/kg) = 6.071e-03 Total CO2 (mol/kg) = 6.071e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16 Iterations = 16
@ -165,7 +165,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
@ -243,7 +243,8 @@ Reaction 1. Irreversible reaction defined in simulation 2.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.074e-03 Total alkalinity (eq/kg) = 5.074e-03
Total CO2 (mol/kg) = 6.571e-03 Total CO2 (mol/kg) = 6.571e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34 Iterations = 34
@ -287,7 +288,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.28 -8.61 -8.34 CaCO3 Aragonite -0.28 -8.61 -8.34 CaCO3
Calcite -0.13 -8.61 -8.48 CaCO3 Calcite -0.13 -8.61 -8.48 CaCO3
@ -343,7 +344,8 @@ Reaction 1. Irreversible reaction defined in simulation 2.
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.144e-03 Total alkalinity (eq/kg) = 5.144e-03
Total CO2 (mol/kg) = 7.071e-03 Total CO2 (mol/kg) = 7.071e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24 Iterations = 24
@ -387,7 +389,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.38 -8.71 -8.34 CaCO3 Aragonite -0.38 -8.71 -8.34 CaCO3
Calcite -0.23 -8.71 -8.48 CaCO3 Calcite -0.23 -8.71 -8.48 CaCO3
@ -424,7 +426,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 1.91e-03 liters Gas volume: 1.91e-03 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -456,7 +458,8 @@ NH3(g) -8.09 8.187e-09 0.000e+00 6.386e-13 6.386e-13
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.214e-03 Total alkalinity (eq/kg) = 5.214e-03
Total CO2 (mol/kg) = 7.565e-03 Total CO2 (mol/kg) = 7.565e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23 Iterations = 23
@ -500,7 +503,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.45 -8.79 -8.34 CaCO3 Aragonite -0.45 -8.79 -8.34 CaCO3
Calcite -0.31 -8.79 -8.48 CaCO3 Calcite -0.31 -8.79 -8.48 CaCO3
@ -537,7 +540,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 1.43e-02 liters Gas volume: 1.43e-02 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -569,7 +572,8 @@ NH3(g) -8.02 9.476e-09 0.000e+00 5.549e-12 5.549e-12
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 5.283e-03 Total alkalinity (eq/kg) = 5.283e-03
Total CO2 (mol/kg) = 8.023e-03 Total CO2 (mol/kg) = 8.023e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29 Iterations = 29
@ -613,7 +617,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.51 -8.84 -8.34 CaCO3 Aragonite -0.51 -8.84 -8.34 CaCO3
Calcite -0.36 -8.84 -8.48 CaCO3 Calcite -0.36 -8.84 -8.48 CaCO3
@ -650,7 +654,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 6.67e-02 liters Gas volume: 6.67e-02 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -682,7 +686,8 @@ NH3(g) -7.89 1.292e-08 0.000e+00 3.520e-11 3.520e-11
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 5.556e-03 Total alkalinity (eq/kg) = 5.556e-03
Total CO2 (mol/kg) = 9.733e-03 Total CO2 (mol/kg) = 9.733e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 21 Iterations = 21
@ -726,7 +731,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.65 -8.98 -8.34 CaCO3 Aragonite -0.65 -8.98 -8.34 CaCO3
Calcite -0.51 -8.98 -8.48 CaCO3 Calcite -0.51 -8.98 -8.48 CaCO3
@ -763,7 +768,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 1.83e-01 liters Gas volume: 1.83e-01 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -795,7 +800,8 @@ NH3(g) -7.76 1.735e-08 0.000e+00 1.300e-10 1.300e-10
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.070e-03 Total alkalinity (eq/kg) = 6.070e-03
Total CO2 (mol/kg) = 1.261e-02 Total CO2 (mol/kg) = 1.261e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20 Iterations = 20
@ -839,7 +845,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.77 -9.11 -8.34 CaCO3 Aragonite -0.77 -9.11 -8.34 CaCO3
Calcite -0.63 -9.11 -8.48 CaCO3 Calcite -0.63 -9.11 -8.48 CaCO3
@ -876,7 +882,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 4.56e-01 liters Gas volume: 4.56e-01 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -908,7 +914,8 @@ NH3(g) -7.63 2.343e-08 0.000e+00 4.372e-10 4.372e-10
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.899e-03 Total alkalinity (eq/kg) = 6.899e-03
Total CO2 (mol/kg) = 1.661e-02 Total CO2 (mol/kg) = 1.661e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20 Iterations = 20
@ -952,7 +959,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.85 -9.18 -8.34 CaCO3 Aragonite -0.85 -9.18 -8.34 CaCO3
Calcite -0.70 -9.18 -8.48 CaCO3 Calcite -0.70 -9.18 -8.48 CaCO3
@ -989,7 +996,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 1.10e+00 liters Gas volume: 1.10e+00 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -1021,7 +1028,8 @@ NH3(g) -7.54 2.911e-08 0.000e+00 1.307e-09 1.307e-09
Mass of water (kg) = 9.999e-01 Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 7.773e-03 Total alkalinity (eq/kg) = 7.773e-03
Total CO2 (mol/kg) = 2.054e-02 Total CO2 (mol/kg) = 2.054e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24 Iterations = 24
@ -1065,7 +1073,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.87 -9.21 -8.34 CaCO3 Aragonite -0.87 -9.21 -8.34 CaCO3
Calcite -0.73 -9.21 -8.48 CaCO3 Calcite -0.73 -9.21 -8.48 CaCO3
@ -1102,7 +1110,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 2.44e+00 liters Gas volume: 2.44e+00 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -1134,7 +1142,8 @@ NH3(g) -7.50 3.187e-08 0.000e+00 3.182e-09 3.182e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.302e-03 Total alkalinity (eq/kg) = 8.302e-03
Total CO2 (mol/kg) = 2.308e-02 Total CO2 (mol/kg) = 2.308e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32 Iterations = 32
@ -1178,7 +1187,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.89 -9.22 -8.34 CaCO3 Aragonite -0.89 -9.22 -8.34 CaCO3
Calcite -0.74 -9.22 -8.48 CaCO3 Calcite -0.74 -9.22 -8.48 CaCO3
@ -1215,7 +1224,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 5.29e+00 liters Gas volume: 5.29e+00 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -1247,7 +1256,8 @@ NH3(g) -7.48 3.294e-08 0.000e+00 7.117e-09 7.117e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.570e-03 Total alkalinity (eq/kg) = 8.570e-03
Total CO2 (mol/kg) = 2.450e-02 Total CO2 (mol/kg) = 2.450e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 21 Iterations = 21
@ -1291,7 +1301,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.89 -9.23 -8.34 CaCO3 Aragonite -0.89 -9.23 -8.34 CaCO3
Calcite -0.75 -9.23 -8.48 CaCO3 Calcite -0.75 -9.23 -8.48 CaCO3
@ -1328,7 +1338,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 1.10e+01 liters Gas volume: 1.10e+01 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -1360,7 +1370,8 @@ NH3(g) -7.48 3.333e-08 0.000e+00 1.502e-08 1.502e-08
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.694e-03 Total alkalinity (eq/kg) = 8.694e-03
Total CO2 (mol/kg) = 2.520e-02 Total CO2 (mol/kg) = 2.520e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.211e-10 Electrical balance (eq) = -1.211e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24 Iterations = 24
@ -1404,7 +1415,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.90 -9.24 -8.34 CaCO3 Aragonite -0.90 -9.24 -8.34 CaCO3
Calcite -0.76 -9.24 -8.48 CaCO3 Calcite -0.76 -9.24 -8.48 CaCO3
@ -1441,7 +1452,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -1473,7 +1484,8 @@ NH3(g) -7.48 3.349e-08 0.000e+00 3.083e-08 3.083e-08
Mass of water (kg) = 1.001e+00 Mass of water (kg) = 1.001e+00
Total alkalinity (eq/kg) = 8.752e-03 Total alkalinity (eq/kg) = 8.752e-03
Total CO2 (mol/kg) = 2.556e-02 Total CO2 (mol/kg) = 2.556e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.10
Electrical balance (eq) = -1.073e-10 Electrical balance (eq) = -1.073e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28 Iterations = 28
@ -1517,7 +1529,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.90 -9.24 -8.34 CaCO3 Aragonite -0.90 -9.24 -8.34 CaCO3
Calcite -0.76 -9.24 -8.48 CaCO3 Calcite -0.76 -9.24 -8.48 CaCO3
@ -1576,7 +1588,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0024 atmospheres Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 1.03e+04 liters/mole Molar volume: 1.03e+04 liters/mole
@ -1608,8 +1620,8 @@ NH3(g) -9.17 6.759e-10 0.000e+00 6.216e-10 6.216e-10
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.005e-03 Total alkalinity (eq/kg) = 5.005e-03
Total CO2 (mol/kg) = 4.930e-03 Total CO2 (mol/kg) = 4.930e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.002 Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1653,7 +1665,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 1.06 -7.28 -8.34 CaCO3 Aragonite 1.06 -7.28 -8.34 CaCO3
Calcite 1.20 -7.28 -8.48 CaCO3 Calcite 1.20 -7.28 -8.48 CaCO3
@ -1690,7 +1702,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0034 atmospheres Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 7.11e+03 liters/mole Molar volume: 7.11e+03 liters/mole
@ -1722,8 +1734,8 @@ NH3(g) -8.95 1.134e-09 0.000e+00 1.043e-09 1.043e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.005e-03 Total alkalinity (eq/kg) = 5.005e-03
Total CO2 (mol/kg) = 4.972e-03 Total CO2 (mol/kg) = 4.972e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.003 Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1767,7 +1779,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.96 -7.37 -8.34 CaCO3 Aragonite 0.96 -7.37 -8.34 CaCO3
Calcite 1.11 -7.37 -8.48 CaCO3 Calcite 1.11 -7.37 -8.48 CaCO3
@ -1804,7 +1816,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0045 atmospheres Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 5.40e+03 liters/mole Molar volume: 5.40e+03 liters/mole
@ -1836,8 +1848,8 @@ NH3(g) -8.82 1.503e-09 0.000e+00 1.382e-09 1.382e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.006e-03 Total alkalinity (eq/kg) = 5.006e-03
Total CO2 (mol/kg) = 5.006e-03 Total CO2 (mol/kg) = 5.006e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.005 Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1881,7 +1893,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.89 -7.45 -8.34 CaCO3 Aragonite 0.89 -7.45 -8.34 CaCO3
Calcite 1.03 -7.45 -8.48 CaCO3 Calcite 1.03 -7.45 -8.48 CaCO3
@ -1918,7 +1930,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0056 atmospheres Total pressure: 0.01 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 4.35e+03 liters/mole Molar volume: 4.35e+03 liters/mole
@ -1950,8 +1962,8 @@ NH3(g) -8.74 1.817e-09 0.000e+00 1.671e-09 1.671e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.007e-03 Total alkalinity (eq/kg) = 5.007e-03
Total CO2 (mol/kg) = 5.036e-03 Total CO2 (mol/kg) = 5.036e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.006 Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -1995,7 +2007,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.82 -7.51 -8.34 CaCO3 Aragonite 0.82 -7.51 -8.34 CaCO3
Calcite 0.97 -7.51 -8.48 CaCO3 Calcite 0.97 -7.51 -8.48 CaCO3
@ -2032,7 +2044,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0100 atmospheres Total pressure: 0.01 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 2.44e+03 liters/mole Molar volume: 2.44e+03 liters/mole
@ -2064,8 +2076,8 @@ NH3(g) -8.56 2.783e-09 0.000e+00 2.559e-09 2.559e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.010e-03 Total alkalinity (eq/kg) = 5.010e-03
Total CO2 (mol/kg) = 5.135e-03 Total CO2 (mol/kg) = 5.135e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.010 Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -2109,7 +2121,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.63 -7.71 -8.34 CaCO3 Aragonite 0.63 -7.71 -8.34 CaCO3
Calcite 0.77 -7.71 -8.48 CaCO3 Calcite 0.77 -7.71 -8.48 CaCO3
@ -2146,7 +2158,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0188 atmospheres Total pressure: 0.02 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 1.30e+03 liters/mole Molar volume: 1.30e+03 liters/mole
@ -2178,8 +2190,8 @@ NH3(g) -8.39 4.116e-09 0.000e+00 3.786e-09 3.786e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.019e-03 Total alkalinity (eq/kg) = 5.019e-03
Total CO2 (mol/kg) = 5.299e-03 Total CO2 (mol/kg) = 5.299e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.019 Pressure (atm) = 0.02
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -2223,7 +2235,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.39 -7.94 -8.34 CaCO3 Aragonite 0.39 -7.94 -8.34 CaCO3
Calcite 0.53 -7.94 -8.48 CaCO3 Calcite 0.53 -7.94 -8.48 CaCO3
@ -2260,7 +2272,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0365 atmospheres Total pressure: 0.04 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 6.71e+02 liters/mole Molar volume: 6.71e+02 liters/mole
@ -2292,8 +2304,8 @@ NH3(g) -8.23 5.955e-09 0.000e+00 5.476e-09 5.476e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.043e-03 Total alkalinity (eq/kg) = 5.043e-03
Total CO2 (mol/kg) = 5.605e-03 Total CO2 (mol/kg) = 5.605e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.036 Pressure (atm) = 0.04
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -2337,7 +2349,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite 0.13 -8.21 -8.34 CaCO3 Aragonite 0.13 -8.21 -8.34 CaCO3
Calcite 0.27 -8.21 -8.48 CaCO3 Calcite 0.27 -8.21 -8.48 CaCO3
@ -2374,7 +2386,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.0718 atmospheres Total pressure: 0.07 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 3.41e+02 liters/mole Molar volume: 3.41e+02 liters/mole
@ -2406,8 +2418,8 @@ NH3(g) -8.07 8.504e-09 0.000e+00 7.820e-09 7.820e-09
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.110e-03 Total alkalinity (eq/kg) = 5.110e-03
Total CO2 (mol/kg) = 6.217e-03 Total CO2 (mol/kg) = 6.217e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.072 Pressure (atm) = 0.08
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11 Iterations = 11
@ -2451,7 +2463,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite -0.00 -8.48 -8.48 CaCO3 Calcite -0.00 -8.48 -8.48 CaCO3
@ -2488,7 +2500,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.1390 atmospheres Total pressure: 0.14 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 1.76e+02 liters/mole Molar volume: 1.76e+02 liters/mole
@ -2520,8 +2532,8 @@ NH3(g) -7.92 1.191e-08 0.000e+00 1.096e-08 1.096e-08
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.278e-03 Total alkalinity (eq/kg) = 5.278e-03
Total CO2 (mol/kg) = 7.416e-03 Total CO2 (mol/kg) = 7.416e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.139 Pressure (atm) = 0.14
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16 Iterations = 16
@ -2565,7 +2577,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite -0.40 -8.74 -8.34 CaCO3 Aragonite -0.40 -8.74 -8.34 CaCO3
Calcite -0.26 -8.74 -8.48 CaCO3 Calcite -0.26 -8.74 -8.48 CaCO3
@ -2602,7 +2614,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.2765 atmospheres Total pressure: 0.28 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 8.85e+01 liters/mole Molar volume: 8.85e+01 liters/mole
@ -2634,8 +2646,8 @@ NH3(g) -7.77 1.683e-08 0.000e+00 1.547e-08 1.547e-08
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.714e-03 Total alkalinity (eq/kg) = 5.714e-03
Total CO2 (mol/kg) = 9.953e-03 Total CO2 (mol/kg) = 9.953e-03
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.277 Pressure (atm) = 0.29
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13 Iterations = 13
@ -2679,7 +2691,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 0 atm)
Aragonite -0.63 -8.97 -8.34 CaCO3 Aragonite -0.63 -8.97 -8.34 CaCO3
Calcite -0.49 -8.97 -8.48 CaCO3 Calcite -0.49 -8.97 -8.48 CaCO3
@ -2716,7 +2728,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 0.5515 atmospheres Total pressure: 0.55 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 4.44e+01 liters/mole Molar volume: 4.44e+01 liters/mole
@ -2748,8 +2760,8 @@ NH3(g) -7.62 2.373e-08 0.000e+00 2.183e-08 2.183e-08
Mass of water (kg) = 1.000e+00 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.713e-03 Total alkalinity (eq/kg) = 6.713e-03
Total CO2 (mol/kg) = 1.515e-02 Total CO2 (mol/kg) = 1.515e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 0.551 Pressure (atm) = 0.55
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10 Iterations = 10
@ -2793,7 +2805,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.81 -9.14 -8.34 CaCO3 Aragonite -0.81 -9.14 -8.34 CaCO3
Calcite -0.66 -9.14 -8.48 CaCO3 Calcite -0.66 -9.14 -8.48 CaCO3
@ -2830,7 +2842,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase----------------------------------- -----------------------------------Gas phase-----------------------------------
Total pressure: 1.1013 atmospheres Total pressure: 1.10 atmospheres
Gas volume: 2.25e+01 liters Gas volume: 2.25e+01 liters
Molar volume: 2.22e+01 liters/mole Molar volume: 2.22e+01 liters/mole
@ -2862,8 +2874,8 @@ NH3(g) -7.47 3.351e-08 0.000e+00 3.081e-08 3.081e-08
Mass of water (kg) = 1.001e+00 Mass of water (kg) = 1.001e+00
Total alkalinity (eq/kg) = 8.756e-03 Total alkalinity (eq/kg) = 8.756e-03
Total CO2 (mol/kg) = 2.558e-02 Total CO2 (mol/kg) = 2.558e-02
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Pressure (atm) = 1.101 Pressure (atm) = 1.11
Electrical balance (eq) = -1.075e-10 Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12 Iterations = 12
@ -2907,7 +2919,7 @@ O(0) 0.000e+00
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Aragonite -0.90 -9.24 -8.34 CaCO3 Aragonite -0.90 -9.24 -8.34 CaCO3
Calcite -0.76 -9.24 -8.48 CaCO3 Calcite -0.76 -9.24 -8.48 CaCO3

268
ex8.out
View File

@ -88,7 +88,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.361e-06 Total alkalinity (eq/kg) = 1.361e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.214e-16 Electrical balance (eq) = 7.214e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
@ -121,7 +121,7 @@ Zn 1.000e-07
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+ Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -24.00 -27.15 -3.15 H2 H2(g) -24.00 -27.15 -3.15 H2
@ -152,7 +152,7 @@ Initial solution 2.
Total alkalinity (eq/kg) = 1.452e-05 Total alkalinity (eq/kg) = 1.452e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.292e-16 Electrical balance (eq) = 7.292e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9 Iterations = 9
@ -185,7 +185,7 @@ Zn 1.000e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+ Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -24.00 -27.15 -3.15 H2 H2(g) -24.00 -27.15 -3.15 H2
@ -223,10 +223,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.00 -5.00 0.00 Fix_H+ -5.00 -5.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.273e-04 NaOH is reactant 1.000e+01 1.000e+01 1.273e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -280,7 +280,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.211e-05 Total alkalinity (eq/kg) = -1.211e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.123e-04 Electrical balance (eq) = -1.123e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
Iterations = 16 Iterations = 16
@ -320,7 +320,7 @@ Zn 9.967e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.00 -5.00 0.00 H+ Fix_H+ -5.00 -5.00 0.00 H+
H2(g) -40.19 -43.34 -3.15 H2 H2(g) -40.19 -43.34 -3.15 H2
@ -357,10 +357,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.25 -5.25 0.00 Fix_H+ -5.25 -5.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.060e-04 NaOH is reactant 1.000e+01 1.000e+01 1.060e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -414,7 +414,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.809e-06 Total alkalinity (eq/kg) = -6.809e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -9.671e-05 Electrical balance (eq) = -9.671e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 15 Iterations = 15
@ -454,7 +454,7 @@ Zn 9.910e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.25 -5.25 0.00 H+ Fix_H+ -5.25 -5.25 0.00 H+
H2(g) -40.12 -43.27 -3.15 H2 H2(g) -40.12 -43.27 -3.15 H2
@ -491,10 +491,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.50 -5.50 0.00 Fix_H+ -5.50 -5.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 8.815e-05 NaOH is reactant 1.000e+01 1.000e+01 8.815e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -548,7 +548,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.826e-06 Total alkalinity (eq/kg) = -3.826e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.217e-05 Electrical balance (eq) = -8.217e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 15 Iterations = 15
@ -588,7 +588,7 @@ Zn 9.758e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.50 -5.50 0.00 H+ Fix_H+ -5.50 -5.50 0.00 H+
H2(g) -40.05 -43.20 -3.15 H2 H2(g) -40.05 -43.20 -3.15 H2
@ -625,10 +625,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.75 -5.75 0.00 Fix_H+ -5.75 -5.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 7.298e-05 NaOH is reactant 1.000e+01 1.000e+01 7.298e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -682,7 +682,7 @@ Hfo_w
Total alkalinity (eq/kg) = -2.146e-06 Total alkalinity (eq/kg) = -2.146e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.891e-05 Electrical balance (eq) = -6.891e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 15 Iterations = 15
@ -722,7 +722,7 @@ Zn 9.368e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.75 -5.75 0.00 H+ Fix_H+ -5.75 -5.75 0.00 H+
H2(g) -39.97 -43.12 -3.15 H2 H2(g) -39.97 -43.12 -3.15 H2
@ -759,10 +759,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.00 -6.00 0.00 Fix_H+ -6.00 -6.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.997e-05 NaOH is reactant 1.000e+01 1.000e+01 5.997e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -816,7 +816,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.198e-06 Total alkalinity (eq/kg) = -1.198e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.703e-05 Electrical balance (eq) = -5.703e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 14 Iterations = 14
@ -856,7 +856,7 @@ Zn 8.452e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.00 -6.00 0.00 H+ Fix_H+ -6.00 -6.00 0.00 H+
H2(g) -39.90 -43.05 -3.15 H2 H2(g) -39.90 -43.05 -3.15 H2
@ -893,10 +893,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.25 -6.25 0.00 Fix_H+ -6.25 -6.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 4.875e-05 NaOH is reactant 1.000e+01 1.000e+01 4.875e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -950,7 +950,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.569e-07 Total alkalinity (eq/kg) = -6.569e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.650e-05 Electrical balance (eq) = -4.650e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 14 Iterations = 14
@ -990,7 +990,7 @@ Zn 6.676e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.25 -6.25 0.00 H+ Fix_H+ -6.25 -6.25 0.00 H+
H2(g) -39.83 -42.98 -3.15 H2 H2(g) -39.83 -42.98 -3.15 H2
@ -1027,10 +1027,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.50 -6.50 0.00 Fix_H+ -6.50 -6.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.904e-05 NaOH is reactant 1.000e+01 1.000e+01 3.904e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1084,7 +1084,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.400e-07 Total alkalinity (eq/kg) = -3.400e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.724e-05 Electrical balance (eq) = -3.724e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 14 Iterations = 14
@ -1124,7 +1124,7 @@ Zn 4.239e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.50 -6.50 0.00 H+ Fix_H+ -6.50 -6.50 0.00 H+
H2(g) -39.76 -42.91 -3.15 H2 H2(g) -39.76 -42.91 -3.15 H2
@ -1161,10 +1161,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.75 -6.75 0.00 Fix_H+ -6.75 -6.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.063e-05 NaOH is reactant 1.000e+01 1.000e+01 3.063e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1218,7 +1218,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.389e-07 Total alkalinity (eq/kg) = -1.389e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.913e-05 Electrical balance (eq) = -2.913e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14 Iterations = 14
@ -1258,7 +1258,7 @@ Zn 2.112e-08
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.75 -6.75 0.00 H+ Fix_H+ -6.75 -6.75 0.00 H+
H2(g) -39.69 -42.84 -3.15 H2 H2(g) -39.69 -42.84 -3.15 H2
@ -1295,10 +1295,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.00 -7.00 0.00 Fix_H+ -7.00 -7.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 2.330e-05 NaOH is reactant 1.000e+01 1.000e+01 2.330e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1352,7 +1352,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.491e-08 Total alkalinity (eq/kg) = 1.491e-08
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.203e-05 Electrical balance (eq) = -2.203e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14 Iterations = 14
@ -1392,7 +1392,7 @@ Zn 8.799e-09
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.00 -7.00 0.00 H+ Fix_H+ -7.00 -7.00 0.00 H+
H2(g) -39.62 -42.77 -3.15 H2 H2(g) -39.62 -42.77 -3.15 H2
@ -1429,10 +1429,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.25 -7.25 0.00 Fix_H+ -7.25 -7.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.683e-05 NaOH is reactant 1.000e+01 1.000e+01 1.683e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1486,7 +1486,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.738e-07 Total alkalinity (eq/kg) = 1.738e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.576e-05 Electrical balance (eq) = -1.576e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14 Iterations = 14
@ -1526,7 +1526,7 @@ Zn 3.336e-09
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.25 -7.25 0.00 H+ Fix_H+ -7.25 -7.25 0.00 H+
H2(g) -39.55 -42.70 -3.15 H2 H2(g) -39.55 -42.70 -3.15 H2
@ -1563,10 +1563,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.50 -7.50 0.00 Fix_H+ -7.50 -7.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.097e-05 NaOH is reactant 1.000e+01 1.000e+01 1.097e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1620,7 +1620,7 @@ Hfo_w
Total alkalinity (eq/kg) = 3.918e-07 Total alkalinity (eq/kg) = 3.918e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.014e-05 Electrical balance (eq) = -1.014e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14 Iterations = 14
@ -1660,7 +1660,7 @@ Zn 1.216e-09
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.50 -7.50 0.00 H+ Fix_H+ -7.50 -7.50 0.00 H+
H2(g) -39.47 -42.62 -3.15 H2 H2(g) -39.47 -42.62 -3.15 H2
@ -1697,10 +1697,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.75 -7.75 0.00 Fix_H+ -7.75 -7.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.425e-06 NaOH is reactant 1.000e+01 1.000e+01 5.425e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1754,7 +1754,7 @@ Hfo_w
Total alkalinity (eq/kg) = 7.432e-07 Total alkalinity (eq/kg) = 7.432e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.965e-06 Electrical balance (eq) = -4.965e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14 Iterations = 14
@ -1794,7 +1794,7 @@ Zn 4.397e-10
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.75 -7.75 0.00 H+ Fix_H+ -7.75 -7.75 0.00 H+
H2(g) -39.40 -42.55 -3.15 H2 H2(g) -39.40 -42.55 -3.15 H2
@ -1831,10 +1831,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -8.00 -8.00 0.00 Fix_H+ -8.00 -8.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -1.388e-07 NaOH is reactant 1.000e+01 1.000e+01 -1.388e-07
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -1888,7 +1888,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.348e-06 Total alkalinity (eq/kg) = 1.348e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.788e-08 Electrical balance (eq) = -1.788e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14 Iterations = 14
@ -1928,7 +1928,7 @@ Zn 1.626e-10
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+ Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -39.33 -42.48 -3.15 H2 H2(g) -39.33 -42.48 -3.15 H2
@ -1965,10 +1965,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.00 -5.00 0.00 Fix_H+ -5.00 -5.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.399e-04 NaOH is reactant 1.000e+01 1.000e+01 1.399e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2022,7 +2022,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.211e-05 Total alkalinity (eq/kg) = -1.211e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.124e-04 Electrical balance (eq) = -1.124e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
Iterations = 21 Iterations = 21
@ -2062,7 +2062,7 @@ Zn 9.969e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.00 -5.00 0.00 H+ Fix_H+ -5.00 -5.00 0.00 H+
H2(g) -40.19 -43.34 -3.15 H2 H2(g) -40.19 -43.34 -3.15 H2
@ -2099,10 +2099,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.25 -5.25 0.00 Fix_H+ -5.25 -5.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.178e-04 NaOH is reactant 1.000e+01 1.000e+01 1.178e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2156,7 +2156,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.800e-06 Total alkalinity (eq/kg) = -6.800e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -9.693e-05 Electrical balance (eq) = -9.693e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 21 Iterations = 21
@ -2196,7 +2196,7 @@ Zn 9.923e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.25 -5.25 0.00 H+ Fix_H+ -5.25 -5.25 0.00 H+
H2(g) -40.12 -43.27 -3.15 H2 H2(g) -40.12 -43.27 -3.15 H2
@ -2233,10 +2233,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.50 -5.50 0.00 Fix_H+ -5.50 -5.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 9.839e-05 NaOH is reactant 1.000e+01 1.000e+01 9.839e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2290,7 +2290,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.810e-06 Total alkalinity (eq/kg) = -3.810e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.263e-05 Electrical balance (eq) = -8.263e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 21 Iterations = 21
@ -2330,7 +2330,7 @@ Zn 9.832e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.50 -5.50 0.00 H+ Fix_H+ -5.50 -5.50 0.00 H+
H2(g) -40.05 -43.20 -3.15 H2 H2(g) -40.05 -43.20 -3.15 H2
@ -2367,10 +2367,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -5.75 -5.75 0.00 Fix_H+ -5.75 -5.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 8.089e-05 NaOH is reactant 1.000e+01 1.000e+01 8.089e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2424,7 +2424,7 @@ Hfo_w
Total alkalinity (eq/kg) = -2.117e-06 Total alkalinity (eq/kg) = -2.117e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -6.973e-05 Electrical balance (eq) = -6.973e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 23 Iterations = 23
@ -2464,7 +2464,7 @@ Zn 9.698e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -5.75 -5.75 0.00 H+ Fix_H+ -5.75 -5.75 0.00 H+
H2(g) -39.97 -43.12 -3.15 H2 H2(g) -39.97 -43.12 -3.15 H2
@ -2501,10 +2501,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.00 -6.00 0.00 Fix_H+ -6.00 -6.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 6.529e-05 NaOH is reactant 1.000e+01 1.000e+01 6.529e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2558,7 +2558,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.147e-06 Total alkalinity (eq/kg) = -1.147e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -5.823e-05 Electrical balance (eq) = -5.823e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 22 Iterations = 22
@ -2598,7 +2598,7 @@ Zn 9.549e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.00 -6.00 0.00 H+ Fix_H+ -6.00 -6.00 0.00 H+
H2(g) -39.90 -43.05 -3.15 H2 H2(g) -39.90 -43.05 -3.15 H2
@ -2635,10 +2635,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.25 -6.25 0.00 Fix_H+ -6.25 -6.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.100e-05 NaOH is reactant 1.000e+01 1.000e+01 5.100e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2692,7 +2692,7 @@ Hfo_w
Total alkalinity (eq/kg) = -5.666e-07 Total alkalinity (eq/kg) = -5.666e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -4.813e-05 Electrical balance (eq) = -4.813e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22 Iterations = 22
@ -2732,7 +2732,7 @@ Zn 9.374e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.25 -6.25 0.00 H+ Fix_H+ -6.25 -6.25 0.00 H+
H2(g) -39.83 -42.98 -3.15 H2 H2(g) -39.83 -42.98 -3.15 H2
@ -2769,10 +2769,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.50 -6.50 0.00 Fix_H+ -6.50 -6.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.598e-05 NaOH is reactant 1.000e+01 1.000e+01 3.598e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2826,7 +2826,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.809e-07 Total alkalinity (eq/kg) = -1.809e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.959e-05 Electrical balance (eq) = -3.959e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22 Iterations = 22
@ -2866,7 +2866,7 @@ Zn 9.074e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.50 -6.50 0.00 H+ Fix_H+ -6.50 -6.50 0.00 H+
H2(g) -39.76 -42.91 -3.15 H2 H2(g) -39.76 -42.91 -3.15 H2
@ -2903,10 +2903,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -6.75 -6.75 0.00 Fix_H+ -6.75 -6.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.709e-05 NaOH is reactant 1.000e+01 1.000e+01 1.709e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -2960,7 +2960,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.361e-07 Total alkalinity (eq/kg) = 1.361e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.290e-05 Electrical balance (eq) = -3.290e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22 Iterations = 22
@ -3000,7 +3000,7 @@ Zn 8.483e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -6.75 -6.75 0.00 H+ Fix_H+ -6.75 -6.75 0.00 H+
H2(g) -39.69 -42.84 -3.15 H2 H2(g) -39.69 -42.84 -3.15 H2
@ -3037,10 +3037,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.00 -7.00 0.00 Fix_H+ -7.00 -7.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -7.621e-06 NaOH is reactant 1.000e+01 1.000e+01 -7.621e-06
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -3094,7 +3094,7 @@ Hfo_w
Total alkalinity (eq/kg) = 4.762e-07 Total alkalinity (eq/kg) = 4.762e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.821e-05 Electrical balance (eq) = -2.821e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 23 Iterations = 23
@ -3134,7 +3134,7 @@ Zn 7.501e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.00 -7.00 0.00 H+ Fix_H+ -7.00 -7.00 0.00 H+
H2(g) -39.62 -42.77 -3.15 H2 H2(g) -39.62 -42.77 -3.15 H2
@ -3171,10 +3171,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.25 -7.25 0.00 Fix_H+ -7.25 -7.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 -3.628e-05 NaOH is reactant 1.000e+01 1.000e+01 -3.628e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -3228,7 +3228,7 @@ Hfo_w
Total alkalinity (eq/kg) = 9.321e-07 Total alkalinity (eq/kg) = 9.321e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.514e-05 Electrical balance (eq) = -2.514e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24 Iterations = 24
@ -3268,7 +3268,7 @@ Zn 6.245e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.25 -7.25 0.00 H+ Fix_H+ -7.25 -7.25 0.00 H+
H2(g) -39.55 -42.70 -3.15 H2 H2(g) -39.55 -42.70 -3.15 H2
@ -3305,10 +3305,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.50 -7.50 0.00 Fix_H+ -7.50 -7.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 -6.533e-05 NaOH is reactant 1.000e+01 1.000e+01 -6.533e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -3362,7 +3362,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.643e-06 Total alkalinity (eq/kg) = 1.643e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.290e-05 Electrical balance (eq) = -2.290e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24 Iterations = 24
@ -3402,7 +3402,7 @@ Zn 4.942e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.50 -7.50 0.00 H+ Fix_H+ -7.50 -7.50 0.00 H+
H2(g) -39.47 -42.62 -3.15 H2 H2(g) -39.47 -42.62 -3.15 H2
@ -3439,10 +3439,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -7.75 -7.75 0.00 Fix_H+ -7.75 -7.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 -9.246e-05 NaOH is reactant 1.000e+01 1.000e+01 -9.246e-05
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -3496,7 +3496,7 @@ Hfo_w
Total alkalinity (eq/kg) = 2.853e-06 Total alkalinity (eq/kg) = 2.853e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -2.082e-05 Electrical balance (eq) = -2.082e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 23 Iterations = 23
@ -3536,7 +3536,7 @@ Zn 3.750e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -7.75 -7.75 0.00 H+ Fix_H+ -7.75 -7.75 0.00 H+
H2(g) -39.40 -42.55 -3.15 H2 H2(g) -39.40 -42.55 -3.15 H2
@ -3573,10 +3573,10 @@ Using pure phase assemblage 1.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Fix_H+ -8.00 -8.00 0.00 Fix_H+ -8.00 -8.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -1.167e-04 NaOH is reactant 1.000e+01 1.000e+01 -1.167e-04
------------------------------Surface composition------------------------------ ------------------------------Surface composition------------------------------
@ -3630,7 +3630,7 @@ Hfo_w
Total alkalinity (eq/kg) = 4.985e-06 Total alkalinity (eq/kg) = 4.985e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.856e-05 Electrical balance (eq) = -1.856e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 26 Iterations = 26
@ -3670,7 +3670,7 @@ Zn 2.761e-05
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Fix_H+ -8.00 -8.00 0.00 H+ Fix_H+ -8.00 -8.00 0.00 H+
H2(g) -39.33 -42.48 -3.15 H2 H2(g) -39.33 -42.48 -3.15 H2

92
ex9.out
View File

@ -175,7 +175,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 2.308e-07 Total alkalinity (eq/kg) = 2.308e-07
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.911e-18 Electrical balance (eq) = -1.911e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9 Iterations = 9
@ -207,7 +207,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
@ -239,9 +239,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -264,7 +264,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07
Total alkalinity (eq/kg) = 1.289e-06 Total alkalinity (eq/kg) = 1.289e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.750e-16 Electrical balance (eq) = 8.750e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 208 Iterations = 208
@ -310,7 +310,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.64 5.64 -1.00 Fe_triOOH Goethite 6.64 5.64 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -337,9 +337,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -362,7 +362,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07
Total alkalinity (eq/kg) = 2.025e-06 Total alkalinity (eq/kg) = 2.025e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 8.671e-16 Electrical balance (eq) = 8.671e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 27 Iterations = 27
@ -408,7 +408,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.65 5.65 -1.00 Fe_triOOH Goethite 6.65 5.65 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -435,9 +435,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -460,7 +460,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07
Total alkalinity (eq/kg) = 3.639e-06 Total alkalinity (eq/kg) = 3.639e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 9.637e-16 Electrical balance (eq) = 9.637e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 67 Iterations = 67
@ -506,7 +506,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -533,9 +533,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -558,7 +558,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07
Total alkalinity (eq/kg) = 5.592e-06 Total alkalinity (eq/kg) = 5.592e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.897e-15 Electrical balance (eq) = 6.897e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 26 Iterations = 26
@ -604,7 +604,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -631,9 +631,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -656,7 +656,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07
Total alkalinity (eq/kg) = 7.467e-06 Total alkalinity (eq/kg) = 7.467e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.912e-15 Electrical balance (eq) = 6.912e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24 Iterations = 24
@ -702,7 +702,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -729,9 +729,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -754,7 +754,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07
Total alkalinity (eq/kg) = 9.873e-06 Total alkalinity (eq/kg) = 9.873e-06
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.905e-15 Electrical balance (eq) = 6.905e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24 Iterations = 24
@ -800,7 +800,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -827,9 +827,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -852,7 +852,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07
Total alkalinity (eq/kg) = 1.233e-05 Total alkalinity (eq/kg) = 1.233e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.904e-15 Electrical balance (eq) = 6.904e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23 Iterations = 23
@ -898,7 +898,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -925,9 +925,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -950,7 +950,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07
Total alkalinity (eq/kg) = 1.542e-05 Total alkalinity (eq/kg) = 1.542e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 6.899e-15 Electrical balance (eq) = 6.899e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23 Iterations = 23
@ -996,7 +996,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -1023,9 +1023,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1048,7 +1048,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07
Total alkalinity (eq/kg) = 1.758e-05 Total alkalinity (eq/kg) = 1.758e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 5.286e-14 Electrical balance (eq) = 5.286e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20 Iterations = 20
@ -1094,7 +1094,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -1121,9 +1121,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1146,7 +1146,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07
Total alkalinity (eq/kg) = 1.929e-05 Total alkalinity (eq/kg) = 1.929e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 5.594e-14 Electrical balance (eq) = 5.594e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20 Iterations = 20
@ -1192,7 +1192,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2
@ -1219,9 +1219,9 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase assemblage-------------------------------- -------------------------------Phase assemblage--------------------------------
Moles in assemblage Moles in assemblage
Phase SI log IAP log KT Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07 O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
@ -1244,7 +1244,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07
Total alkalinity (eq/kg) = 2.073e-05 Total alkalinity (eq/kg) = 2.073e-05
Total carbon (mol/kg) = 0.000e+00 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000 Temperature (deg C) = 25.00
Electrical balance (eq) = 5.637e-14 Electrical balance (eq) = 5.637e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20 Iterations = 20
@ -1290,7 +1290,7 @@ O(0) 5.466e-04
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT Phase SI log IAP log K(298 K, 1 atm)
Goethite 6.66 5.66 -1.00 Fe_triOOH Goethite 6.66 5.66 -1.00 Fe_triOOH
H2(g) -41.26 -44.41 -3.15 H2 H2(g) -41.26 -44.41 -3.15 H2