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Latest examples. PR nearly done.

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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
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7
@ -279,7 +279,7 @@ U(6) 1.437e-08
------------------------------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
Aragonite 0.61 -7.72 -8.34 CaCO3

10
ex10.out
View File

@ -126,7 +126,7 @@ Initial solution 1.
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
@ -161,7 +161,7 @@ O(0) 1.243e-38
------------------------------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
Calcite 1.31 -7.17 -8.48 CaCO3
@ -184,7 +184,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
@ -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
Total alkalinity (eq/kg) = 2.108e-02
Total CO2 (mol/kg) = 5.392e-02
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 1.940e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 11
@ -242,7 +242,7 @@ O(0) 0.000e+00
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
@ -113,7 +113,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3
@ -172,7 +172,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 8
@ -267,7 +267,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -373,7 +373,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0
@ -468,7 +468,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
@ -562,7 +562,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 6
@ -661,7 +661,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0
@ -750,7 +750,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 0
@ -838,7 +838,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3
@ -942,7 +942,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -1040,7 +1040,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -1128,7 +1128,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -1417,7 +1417,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -1707,7 +1707,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -2002,7 +2002,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -2297,7 +2297,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -2592,7 +2592,7 @@ O(0) 5.352e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
@ -2887,7 +2887,7 @@ O(0) 5.352e-04
------------------------------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
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
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
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
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

12
ex12a.sel
View File

@ -20,10 +20,10 @@
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
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
3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523711e-05 -3.731213350981e-05
4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596726e-05 -1.979378199420e-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 5.006313596727e-05 -1.979378199420e-05
5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06
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
@ -109,11 +109,11 @@
0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873124609e-08 3.939740866213e-05
0.833333 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
1.5 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
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
2.83333 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
3.5 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
@ -128,7 +128,7 @@
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
7.5 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
8.5 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

12
ex13a.out
View File

@ -62,7 +62,7 @@ Initial solution 0.
Total alkalinity (eq/kg) = 4.551e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3
@ -91,7 +91,7 @@ O(0) 5.111e-04
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O
@ -146,7 +146,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 3.350e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3
@ -173,7 +173,7 @@ O(0) 5.112e-04
------------------------------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
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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0
@ -265,7 +265,7 @@ O(0) 5.112e-04
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O

80
ex14.out
View File

@ -83,7 +83,7 @@ Initial solution 1. Brine
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.333e-03
Total CO2 (mol/kg) = 3.960e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 1.245e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
@ -168,7 +168,7 @@ S(6) 4.725e-03
------------------------------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
Aragonite 0.35 -7.98 -8.34 CaCO3
@ -241,7 +241,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04
@ -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
Total alkalinity (eq/kg) = 2.441e-03
Total CO2 (mol/kg) = 3.514e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 1.252e-12
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4
@ -352,7 +352,7 @@ S(6) 4.725e-03
------------------------------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
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
Total alkalinity (eq/kg) = -2.630e-05
Total CO2 (mol/kg) = 1.096e-05
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.170e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
@ -578,7 +578,7 @@ S(6) 2.351e-04
------------------------------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
Aragonite -7.91 -16.24 -8.34 CaCO3
@ -622,7 +622,7 @@ Using pure phase assemblage 0.
-------------------------------Phase 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
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.067e-03
@ -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
Total alkalinity (eq/kg) = 6.057e-03
Total CO2 (mol/kg) = 7.120e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.213e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
@ -718,7 +718,7 @@ S(6) 2.351e-04
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -800,7 +800,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.576e+00 1.575e+00 -1.774e-04
@ -867,7 +867,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 9.399e-03
Total CO2 (mol/kg) = 8.747e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -8.721e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.44
Iterations = 13
@ -952,7 +952,7 @@ S(6) 2.350e-04
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1023,7 +1023,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 -5.221e-05
@ -1090,7 +1090,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.564e-03
Total CO2 (mol/kg) = 8.341e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.232e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.34
Iterations = 11
@ -1175,7 +1175,7 @@ S(6) 2.347e-04
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1246,7 +1246,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.573e+00 1.573e+00 1.267e-05
@ -1313,7 +1313,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.078e-03
Total CO2 (mol/kg) = 8.097e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -5.959e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.35
Iterations = 11
@ -1398,7 +1398,7 @@ S(6) 2.318e-04
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -1469,7 +1469,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite -0.00 -17.09 -17.09 1.568e+00 1.568e+00 -3.004e-04
@ -1536,7 +1536,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 7.379e-03
Total CO2 (mol/kg) = 7.720e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.390e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.41
Iterations = 12
@ -1621,7 +1621,7 @@ S(6) 2.072e-04
------------------------------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
Aragonite -0.16 -8.49 -8.34 CaCO3
@ -1692,7 +1692,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite -0.00 -17.09 -17.09 1.565e+00 1.565e+00 -5.456e-05
@ -1759,7 +1759,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.402e-03
Total CO2 (mol/kg) = 7.229e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.426e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.26
Iterations = 9
@ -1844,7 +1844,7 @@ S(6) 1.889e-04
------------------------------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
Aragonite -0.16 -8.50 -8.34 CaCO3
@ -1915,7 +1915,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.153e-06
@ -1982,7 +1982,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.091e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -5.811e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 10
@ -2067,7 +2067,7 @@ S(6) 2.190e-04
------------------------------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
Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2138,7 +2138,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 2.132e-06
@ -2205,7 +2205,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.055e-03
Total CO2 (mol/kg) = 7.115e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.682e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 10
@ -2290,7 +2290,7 @@ S(6) 2.323e-04
------------------------------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
Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2361,7 +2361,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.465e-06
@ -2428,7 +2428,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.052e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -6.135e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -2513,7 +2513,7 @@ S(6) 2.347e-04
------------------------------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
Aragonite -0.16 -8.50 -8.34 CaCO3
@ -2584,7 +2584,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.206e-06
@ -2651,7 +2651,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.053e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 6.004e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
@ -2736,7 +2736,7 @@ S(6) 2.351e-04
------------------------------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
Aragonite -0.16 -8.49 -8.34 CaCO3
@ -2807,7 +2807,7 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.565e+00 1.565e+00 1.046e-06
@ -2874,7 +2874,7 @@ X 1.000e+00 mol
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.053e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 1.225e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
@ -2959,7 +2959,7 @@ S(6) 2.351e-04
------------------------------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
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
Total alkalinity (eq/kg) = 1.539e-05
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 6
@ -114,7 +114,7 @@ O(0) 6.250e-05
------------------------------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
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4
@ -194,7 +194,7 @@ O(0) 6.250e-05
------------------------------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
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10
@ -348,7 +348,7 @@ O(0) 6.250e-05
------------------------------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
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10
@ -466,7 +466,7 @@ O(0) 6.250e-05
------------------------------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
Total alkalinity (eq/kg) = 3.439e-06
Total CO2 (mol/kg) = 1.541e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.646e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.13
Iterations = 25
@ -584,7 +584,7 @@ O(0) 6.141e-05
------------------------------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
Total alkalinity (eq/kg) = 6.603e-06
Total CO2 (mol/kg) = 2.330e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 21
@ -702,7 +702,7 @@ O(0) 6.059e-05
------------------------------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
Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 51
@ -820,7 +820,7 @@ O(0) 6.027e-05
------------------------------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
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4
@ -902,7 +902,7 @@ O(0) 6.250e-05
------------------------------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
Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 0
@ -1002,7 +1002,7 @@ O(0) 6.027e-05
------------------------------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
Total alkalinity (eq/kg) = 1.229e-05
Total CO2 (mol/kg) = 2.855e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 49
@ -1120,7 +1120,7 @@ O(0) 6.005e-05
------------------------------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
Total alkalinity (eq/kg) = 1.418e-05
Total CO2 (mol/kg) = 2.617e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.697e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 47
@ -1238,7 +1238,7 @@ O(0) 6.029e-05
------------------------------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
Total alkalinity (eq/kg) = 1.435e-05
Total CO2 (mol/kg) = 2.207e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.384e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 18
@ -1356,7 +1356,7 @@ O(0) 6.072e-05
------------------------------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
Total alkalinity (eq/kg) = 1.265e-05
Total CO2 (mol/kg) = 1.847e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 19
@ -1474,7 +1474,7 @@ O(0) 6.109e-05
------------------------------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
Total alkalinity (eq/kg) = 9.478e-06
Total CO2 (mol/kg) = 1.473e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50
@ -1592,7 +1592,7 @@ O(0) 6.148e-05
------------------------------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
Total alkalinity (eq/kg) = 6.102e-06
Total CO2 (mol/kg) = 1.132e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50
@ -1710,7 +1710,7 @@ O(0) 6.184e-05
------------------------------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
Total alkalinity (eq/kg) = 3.419e-06
Total CO2 (mol/kg) = 8.578e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 20
@ -1828,7 +1828,7 @@ O(0) 6.212e-05
------------------------------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
Total alkalinity (eq/kg) = 1.709e-06
Total CO2 (mol/kg) = 6.715e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 22
@ -1946,7 +1946,7 @@ O(0) 6.232e-05
------------------------------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
Total alkalinity (eq/kg) = 8.065e-07
Total CO2 (mol/kg) = 5.676e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
@ -2064,7 +2064,7 @@ O(0) 6.242e-05
------------------------------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
Total alkalinity (eq/kg) = 3.997e-07
Total CO2 (mol/kg) = 5.197e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
@ -2182,7 +2182,7 @@ O(0) 6.247e-05
------------------------------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
Total alkalinity (eq/kg) = 2.359e-07
Total CO2 (mol/kg) = 5.005e-07
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
@ -2300,7 +2300,7 @@ O(0) 6.249e-05
------------------------------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
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
Iterations = 7
@ -154,7 +154,7 @@ Si 2.730e-04
------------------------------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
Aragonite -3.44 -11.78 -8.34 CaCO3
@ -201,7 +201,7 @@ Initial solution 2.
Mass of water (kg) = 1.000e+00
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
Iterations = 6
@ -270,7 +270,7 @@ Si 4.100e-04
------------------------------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
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
Total alkalinity (eq/kg) = 8.625e-04
Total CO2 (mol/kg) = 8.284e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.240e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 5
@ -164,7 +164,7 @@ S(6) 1.527e-02
------------------------------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
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
Total alkalinity (eq/kg) = -9.195e-06
Total CO2 (mol/kg) = 7.019e-06
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 4.491e-02
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36
Iterations = 10
@ -262,7 +262,7 @@ S(6) 8.986e-01
------------------------------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
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
Total alkalinity (eq/kg) = 4.016e-03
Total CO2 (mol/kg) = 4.300e-03
Temperature (deg C) = 9.900
Temperature (deg C) = 9.90
Electrical balance (eq) = 1.061e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
Iterations = 8
@ -202,7 +202,7 @@ S(6) 1.600e-04
------------------------------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
Aragonite -0.21 -8.46 -8.25 CaCO3
@ -247,7 +247,7 @@ Initial solution 2. Mysse
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.258e-03
Total CO2 (mol/kg) = 6.870e-03
Temperature (deg C) = 63.000
Temperature (deg C) = 63.00
Electrical balance (eq) = 3.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20
Iterations = 8
@ -339,7 +339,7 @@ S(6) 1.986e-02
------------------------------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
Aragonite 0.18 -8.49 -8.67 CaCO3

586
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 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 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 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 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 14 6.90089 9.81726 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 13 6.91288 9.88309 37.000 -0.1595 -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 9.76882 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 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 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
@ -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 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 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 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 33 6.69999 8.65596 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 33 6.69999 8.70405 57.000 -0.0085 -0.0000
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 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 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 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
@ -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 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 48 6.55641 7.82351 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 48 6.55641 7.82424 72.000 0.0000 -0.1381
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 51 6.52994 7.66605 75.000 0.0000 -0.1704

30
ex3.out
View File

@ -58,7 +58,7 @@ Initial solution 1. Pure water
Total alkalinity (eq/kg) = 1.082e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0
@ -80,7 +80,7 @@ O(0) 0.000e+00
------------------------------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
H2O(g) -1.51 0.00 1.51 H2O
@ -99,7 +99,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
@ -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
Total alkalinity (eq/kg) = 3.291e-03
Total CO2 (mol/kg) = 3.622e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
@ -157,7 +157,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 0.00 -8.48 -8.48 CaCO3
@ -228,7 +228,7 @@ Initial solution 2. Seawater
Mass of water (kg) = 1.000e+00
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7
@ -297,7 +297,7 @@ Si 7.382e-05
------------------------------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
Aragonite 0.61 -7.72 -8.34 CaCO3
@ -375,7 +375,7 @@ Mixture 1.
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.026e-03
Total CO2 (mol/kg) = 3.189e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 13
@ -450,7 +450,7 @@ Si 2.215e-05
------------------------------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
Aragonite -0.25 -8.58 -8.34 CaCO3
@ -506,7 +506,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
@ -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
Total alkalinity (eq/kg) = 2.704e-03
Total CO2 (mol/kg) = 3.029e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 5
@ -610,7 +610,7 @@ Si 2.215e-05
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -665,7 +665,7 @@ Using pure phase assemblage 2.
-------------------------------Phase 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
@ -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
Total alkalinity (eq/kg) = 3.106e-03
Total CO2 (mol/kg) = 3.229e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 3
@ -768,7 +768,7 @@ Si 2.215e-05
------------------------------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
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
Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.092e-05
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
Iterations = 3
@ -153,7 +153,7 @@ S(6) 1.353e-05
------------------------------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
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
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 32
@ -297,7 +297,7 @@ S(6) 2.706e-04
------------------------------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
Aragonite -9.52 -17.85 -8.34 CaCO3
@ -371,7 +371,7 @@ Mixture 1.
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = 5.162e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 0
@ -453,7 +453,7 @@ S(6) 2.706e-04
------------------------------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
Aragonite -9.52 -17.85 -8.34 CaCO3

34
ex5.out
View File

@ -69,7 +69,7 @@ Initial solution 1. PURE WATER
Total alkalinity (eq/kg) = 1.082e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0
@ -91,7 +91,7 @@ O(0) 0.000e+00
------------------------------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
H2O(g) -1.51 0.00 1.51 H2O
@ -127,7 +127,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase 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
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 -4.870e-04
@ -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
Total alkalinity (eq/kg) = 9.867e-04
Total CO2 (mol/kg) = 9.803e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
@ -230,7 +230,7 @@ S(6) 6.057e-08
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -278,7 +278,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase 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
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.418e-04
@ -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
Total alkalinity (eq/kg) = 7.887e-04
Total CO2 (mol/kg) = 7.859e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
@ -402,7 +402,7 @@ S(6) 5.333e-04
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -451,7 +451,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase 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
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.395e-03
@ -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
Total alkalinity (eq/kg) = 5.415e-04
Total CO2 (mol/kg) = 5.424e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
@ -575,7 +575,7 @@ S(6) 2.667e-03
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -624,7 +624,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase 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
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.105e-03
@ -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
Total alkalinity (eq/kg) = 4.522e-04
Total CO2 (mol/kg) = 4.540e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
@ -748,7 +748,7 @@ S(6) 5.333e-03
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3
@ -797,7 +797,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
-------------------------------Phase 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
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.649e-02
@ -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
Total alkalinity (eq/kg) = 3.499e-04
Total CO2 (mol/kg) = 3.526e-04
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -4.778e-11
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
@ -921,7 +921,7 @@ S(6) 1.767e-02
------------------------------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
Aragonite -0.14 -8.48 -8.34 CaCO3

170
ex6.out
View File

@ -76,7 +76,7 @@ Initial solution 1. PURE WATER
Total alkalinity (eq/kg) = 3.121e-18
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 2
@ -98,7 +98,7 @@ O(0) 0.000e+00
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O
@ -141,7 +141,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9
@ -204,7 +204,7 @@ Si 8.013e-08
------------------------------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
Chalcedony -3.55 -7.10 -3.55 SiO2
@ -255,7 +255,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
K-feldspar -5.86 -4.99 0.88 0.000e+00 0 0.000e+00
@ -283,7 +283,7 @@ Kaolinite -0.00 5.71 5.71
Total alkalinity (eq/kg) = 3.369e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
@ -318,7 +318,7 @@ Si 6.536e-06
------------------------------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
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -369,7 +369,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
K-feldspar -2.55 -1.67 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
@ -432,7 +432,7 @@ Si 4.062e-05
------------------------------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
Chalcedony -0.92 -4.47 -3.55 SiO2
@ -483,7 +483,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
K-feldspar 0.00 0.88 0.88
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
@ -546,7 +546,7 @@ Si 3.818e-04
------------------------------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
Chalcedony -0.00 -3.55 -3.55 SiO2
@ -595,7 +595,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
@ -656,7 +656,7 @@ Si 6.596e-06
------------------------------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
Chalcedony -1.64 -5.20 -3.55 SiO2
@ -705,7 +705,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
Kaolinite -0.00 5.71 5.71
@ -731,7 +731,7 @@ Kaolinite -0.00 5.71 5.71
Total alkalinity (eq/kg) = 2.288e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -3.107e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
@ -766,7 +766,7 @@ Si 6.569e-05
------------------------------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
Chalcedony -0.70 -4.25 -3.55 SiO2
@ -836,7 +836,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9
@ -898,7 +898,7 @@ Si 1.200e-07
------------------------------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
Chalcedony -3.37 -6.92 -3.55 SiO2
@ -938,7 +938,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -12.68 -11.80 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1000,7 +1000,7 @@ Si 2.400e-07
------------------------------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
Chalcedony -3.07 -6.62 -3.55 SiO2
@ -1040,7 +1040,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -11.34 -10.47 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1102,7 +1102,7 @@ Si 4.800e-07
------------------------------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
Chalcedony -2.77 -6.32 -3.55 SiO2
@ -1142,7 +1142,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -9.93 -9.05 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1204,7 +1204,7 @@ Si 9.600e-07
------------------------------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
Chalcedony -2.47 -6.02 -3.55 SiO2
@ -1244,7 +1244,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -8.47 -7.59 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1306,7 +1306,7 @@ Si 1.920e-06
------------------------------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
Chalcedony -2.17 -5.72 -3.55 SiO2
@ -1346,7 +1346,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -7.51 -6.64 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
@ -1408,7 +1408,7 @@ Si 3.000e-06
------------------------------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
Chalcedony -1.98 -5.53 -3.55 SiO2
@ -1448,7 +1448,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -6.04 -5.17 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
@ -1510,7 +1510,7 @@ Si 6.000e-06
------------------------------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
Chalcedony -1.68 -5.23 -3.55 SiO2
@ -1550,7 +1550,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -5.11 -4.23 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12
@ -1612,7 +1612,7 @@ Si 8.576e-06
------------------------------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
Chalcedony -1.53 -5.09 -3.55 SiO2
@ -1652,7 +1652,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -3.97 -3.10 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
@ -1714,7 +1714,7 @@ Si 1.661e-05
------------------------------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
Chalcedony -1.27 -4.82 -3.55 SiO2
@ -1754,7 +1754,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -2.89 -2.01 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
@ -1816,7 +1816,7 @@ Si 3.260e-05
------------------------------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
Chalcedony -1.00 -4.55 -3.55 SiO2
@ -1856,7 +1856,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -2.14 -1.26 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
@ -1918,7 +1918,7 @@ Si 6.434e-05
------------------------------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
Chalcedony -0.71 -4.26 -3.55 SiO2
@ -1958,7 +1958,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -1.29 -0.42 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
@ -2020,7 +2020,7 @@ Si 1.282e-04
------------------------------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
Chalcedony -0.44 -3.99 -3.55 SiO2
@ -2060,7 +2060,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -0.76 0.11 0.88 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
@ -2122,7 +2122,7 @@ Si 2.001e-04
------------------------------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
Chalcedony -0.26 -3.81 -3.55 SiO2
@ -2162,7 +2162,7 @@ Reaction 1. Irreversible reaction defined in simulation 8.
-------------------------------Phase 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
K-feldspar -0.00 0.87 0.88 0.000e+00 9.120e-06 9.120e-06
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 15
@ -2224,7 +2224,7 @@ Si 3.818e-04
------------------------------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
Chalcedony -0.00 -3.55 -3.55 SiO2
@ -2362,7 +2362,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.086e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 3
@ -2397,7 +2397,7 @@ Si 3.000e-13
------------------------------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
Chalcedony -8.97 -12.52 -3.55 SiO2
@ -2439,7 +2439,7 @@ Kinetics 1. Kinetics defined in simulation 9.
-------------------------------Phase 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
K-mica -19.94 -6.97 12.97 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 34
@ -2500,7 +2500,7 @@ Si 3.797e-09
------------------------------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
Chalcedony -4.87 -8.42 -3.55 SiO2
@ -2538,7 +2538,7 @@ Kinetics 1. Kinetics defined in simulation 9.
-------------------------------Phase 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
K-mica -12.66 0.31 12.97 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 9
@ -2599,7 +2599,7 @@ Si 4.176e-08
------------------------------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
Chalcedony -3.83 -7.38 -3.55 SiO2
@ -2638,7 +2638,7 @@ A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase 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
K-mica -7.59 5.38 12.97 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 10
@ -2699,7 +2699,7 @@ Si 4.214e-07
------------------------------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
Chalcedony -2.82 -6.38 -3.55 SiO2
@ -2738,7 +2738,7 @@ A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase 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
K-mica -2.79 10.18 12.97 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 67
@ -2799,7 +2799,7 @@ Si 4.218e-06
------------------------------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
Chalcedony -1.83 -5.38 -3.55 SiO2
@ -2840,7 +2840,7 @@ C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8352e+00 -5.1943e+00
-------------------------------Phase 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
K-mica -0.27 12.70 12.97 0.000e+00 0 0.000e+00
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 468
@ -2901,7 +2901,7 @@ Si 2.872e-05
------------------------------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
Chalcedony -1.05 -4.60 -3.55 SiO2
@ -2944,7 +2944,7 @@ E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4103e+00 -4.2509e+00
-------------------------------Phase 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
K-mica 0.00 12.97 12.97 0.000e+00 4.218e-05 4.218e-05
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3147
@ -3005,7 +3005,7 @@ Si 2.533e-04
------------------------------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
Chalcedony -0.17 -3.72 -3.55 SiO2
@ -3049,7 +3049,7 @@ F: K-mica -> K-feldspar 4.7840e+07 1.9072e-04 5.4879e+00 -3.5540e+00
-------------------------------Phase 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
K-mica 0.00 12.97 12.97 4.218e-05 6.361e-05 2.143e-05
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 1844
@ -3110,7 +3110,7 @@ Si 3.818e-04
------------------------------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
Chalcedony -0.00 -3.55 -3.55 SiO2

186
ex7.out
View File

@ -66,7 +66,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.082e-10
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0
@ -88,7 +88,7 @@ O(0) 0.000e+00
------------------------------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
H2O(g) -1.51 0.00 1.51 H2O
@ -107,7 +107,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03
@ -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
Total alkalinity (eq/kg) = 5.004e-03
Total CO2 (mol/kg) = 6.071e-03
Temperature (deg C) = 25.000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
@ -165,7 +165,7 @@ O(0) 0.000e+00
------------------------------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
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
Total alkalinity (eq/kg) = 5.074e-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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 34
@ -287,7 +288,7 @@ O(0) 0.000e+00
------------------------------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
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
Total alkalinity (eq/kg) = 5.144e-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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
@ -387,7 +389,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.23 -8.71 -8.48 CaCO3
@ -424,7 +426,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 1.91e-03 liters
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
Total alkalinity (eq/kg) = 5.214e-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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
@ -500,7 +503,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.31 -8.79 -8.48 CaCO3
@ -537,7 +540,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 1.43e-02 liters
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
Total alkalinity (eq/kg) = 5.283e-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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29
@ -613,7 +617,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.36 -8.84 -8.48 CaCO3
@ -650,7 +654,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 6.67e-02 liters
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
Total alkalinity (eq/kg) = 5.556e-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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 21
@ -726,7 +731,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.51 -8.98 -8.48 CaCO3
@ -763,7 +768,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 1.83e-01 liters
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
Total alkalinity (eq/kg) = 6.070e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
@ -839,7 +845,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.63 -9.11 -8.48 CaCO3
@ -876,7 +882,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 4.56e-01 liters
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
Total alkalinity (eq/kg) = 6.899e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
@ -952,7 +959,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.70 -9.18 -8.48 CaCO3
@ -989,7 +996,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 1.10e+00 liters
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
Total alkalinity (eq/kg) = 7.773e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
@ -1065,7 +1073,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.73 -9.21 -8.48 CaCO3
@ -1102,7 +1110,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 2.44e+00 liters
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
Total alkalinity (eq/kg) = 8.302e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 32
@ -1178,7 +1187,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.74 -9.22 -8.48 CaCO3
@ -1215,7 +1224,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 5.29e+00 liters
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
Total alkalinity (eq/kg) = 8.570e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 21
@ -1291,7 +1301,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.75 -9.23 -8.48 CaCO3
@ -1328,7 +1338,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 1.10e+01 liters
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
Total alkalinity (eq/kg) = 8.694e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 24
@ -1404,7 +1415,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.76 -9.24 -8.48 CaCO3
@ -1441,7 +1452,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1000 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 8.752e-03
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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
@ -1517,7 +1529,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.76 -9.24 -8.48 CaCO3
@ -1576,7 +1588,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0024 atmospheres
Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.005e-03
Total CO2 (mol/kg) = 4.930e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.002
Temperature (deg C) = 25.00
Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1653,7 +1665,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 1.20 -7.28 -8.48 CaCO3
@ -1690,7 +1702,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0034 atmospheres
Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.005e-03
Total CO2 (mol/kg) = 4.972e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.003
Temperature (deg C) = 25.00
Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1767,7 +1779,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 1.11 -7.37 -8.48 CaCO3
@ -1804,7 +1816,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0045 atmospheres
Total pressure: 0.00 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.006e-03
Total CO2 (mol/kg) = 5.006e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.005
Temperature (deg C) = 25.00
Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1881,7 +1893,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 1.03 -7.45 -8.48 CaCO3
@ -1918,7 +1930,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0056 atmospheres
Total pressure: 0.01 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.007e-03
Total CO2 (mol/kg) = 5.036e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.006
Temperature (deg C) = 25.00
Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -1995,7 +2007,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 0.97 -7.51 -8.48 CaCO3
@ -2032,7 +2044,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0100 atmospheres
Total pressure: 0.01 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.010e-03
Total CO2 (mol/kg) = 5.135e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.010
Temperature (deg C) = 25.00
Pressure (atm) = 0.01
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -2109,7 +2121,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 0.77 -7.71 -8.48 CaCO3
@ -2146,7 +2158,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0188 atmospheres
Total pressure: 0.02 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.019e-03
Total CO2 (mol/kg) = 5.299e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.019
Temperature (deg C) = 25.00
Pressure (atm) = 0.02
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -2223,7 +2235,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 0.53 -7.94 -8.48 CaCO3
@ -2260,7 +2272,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0365 atmospheres
Total pressure: 0.04 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.043e-03
Total CO2 (mol/kg) = 5.605e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.036
Temperature (deg C) = 25.00
Pressure (atm) = 0.04
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -2337,7 +2349,7 @@ O(0) 0.000e+00
------------------------------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
Calcite 0.27 -8.21 -8.48 CaCO3
@ -2374,7 +2386,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.0718 atmospheres
Total pressure: 0.07 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.110e-03
Total CO2 (mol/kg) = 6.217e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.072
Temperature (deg C) = 25.00
Pressure (atm) = 0.08
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
@ -2451,7 +2463,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.00 -8.48 -8.48 CaCO3
@ -2488,7 +2500,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.1390 atmospheres
Total pressure: 0.14 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.278e-03
Total CO2 (mol/kg) = 7.416e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.139
Temperature (deg C) = 25.00
Pressure (atm) = 0.14
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
@ -2565,7 +2577,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.26 -8.74 -8.48 CaCO3
@ -2602,7 +2614,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.2765 atmospheres
Total pressure: 0.28 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 5.714e-03
Total CO2 (mol/kg) = 9.953e-03
Temperature (deg C) = 25.000
Pressure (atm) = 0.277
Temperature (deg C) = 25.00
Pressure (atm) = 0.29
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
@ -2679,7 +2691,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.49 -8.97 -8.48 CaCO3
@ -2716,7 +2728,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 0.5515 atmospheres
Total pressure: 0.55 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 6.713e-03
Total CO2 (mol/kg) = 1.515e-02
Temperature (deg C) = 25.000
Pressure (atm) = 0.551
Temperature (deg C) = 25.00
Pressure (atm) = 0.55
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
@ -2793,7 +2805,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.66 -9.14 -8.48 CaCO3
@ -2830,7 +2842,7 @@ Reaction 1. Irreversible reaction defined in simulation 3.
-----------------------------------Gas phase-----------------------------------
Total pressure: 1.1013 atmospheres
Total pressure: 1.10 atmospheres
Gas volume: 2.25e+01 liters
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
Total alkalinity (eq/kg) = 8.756e-03
Total CO2 (mol/kg) = 2.558e-02
Temperature (deg C) = 25.000
Pressure (atm) = 1.101
Temperature (deg C) = 25.00
Pressure (atm) = 1.11
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
@ -2907,7 +2919,7 @@ O(0) 0.000e+00
------------------------------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
Calcite -0.76 -9.24 -8.48 CaCO3

164
ex8.out
View File

@ -88,7 +88,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 1.361e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
@ -121,7 +121,7 @@ Zn 1.000e-07
------------------------------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+
H2(g) -24.00 -27.15 -3.15 H2
@ -152,7 +152,7 @@ Initial solution 2.
Total alkalinity (eq/kg) = 1.452e-05
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
@ -185,7 +185,7 @@ Zn 1.000e-04
------------------------------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+
H2(g) -24.00 -27.15 -3.15 H2
@ -223,7 +223,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.273e-04
@ -280,7 +280,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.211e-05
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
Iterations = 16
@ -320,7 +320,7 @@ Zn 9.967e-08
------------------------------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+
H2(g) -40.19 -43.34 -3.15 H2
@ -357,7 +357,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.060e-04
@ -414,7 +414,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.809e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 15
@ -454,7 +454,7 @@ Zn 9.910e-08
------------------------------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+
H2(g) -40.12 -43.27 -3.15 H2
@ -491,7 +491,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 8.815e-05
@ -548,7 +548,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.826e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 15
@ -588,7 +588,7 @@ Zn 9.758e-08
------------------------------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+
H2(g) -40.05 -43.20 -3.15 H2
@ -625,7 +625,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 7.298e-05
@ -682,7 +682,7 @@ Hfo_w
Total alkalinity (eq/kg) = -2.146e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 15
@ -722,7 +722,7 @@ Zn 9.368e-08
------------------------------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+
H2(g) -39.97 -43.12 -3.15 H2
@ -759,7 +759,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 5.997e-05
@ -816,7 +816,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.198e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 14
@ -856,7 +856,7 @@ Zn 8.452e-08
------------------------------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+
H2(g) -39.90 -43.05 -3.15 H2
@ -893,7 +893,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 4.875e-05
@ -950,7 +950,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.569e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 14
@ -990,7 +990,7 @@ Zn 6.676e-08
------------------------------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+
H2(g) -39.83 -42.98 -3.15 H2
@ -1027,7 +1027,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 3.904e-05
@ -1084,7 +1084,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.400e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 14
@ -1124,7 +1124,7 @@ Zn 4.239e-08
------------------------------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+
H2(g) -39.76 -42.91 -3.15 H2
@ -1161,7 +1161,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 3.063e-05
@ -1218,7 +1218,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.389e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14
@ -1258,7 +1258,7 @@ Zn 2.112e-08
------------------------------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+
H2(g) -39.69 -42.84 -3.15 H2
@ -1295,7 +1295,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 2.330e-05
@ -1352,7 +1352,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.491e-08
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14
@ -1392,7 +1392,7 @@ Zn 8.799e-09
------------------------------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+
H2(g) -39.62 -42.77 -3.15 H2
@ -1429,7 +1429,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.683e-05
@ -1486,7 +1486,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.738e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14
@ -1526,7 +1526,7 @@ Zn 3.336e-09
------------------------------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+
H2(g) -39.55 -42.70 -3.15 H2
@ -1563,7 +1563,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.097e-05
@ -1620,7 +1620,7 @@ Hfo_w
Total alkalinity (eq/kg) = 3.918e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14
@ -1660,7 +1660,7 @@ Zn 1.216e-09
------------------------------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+
H2(g) -39.47 -42.62 -3.15 H2
@ -1697,7 +1697,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 5.425e-06
@ -1754,7 +1754,7 @@ Hfo_w
Total alkalinity (eq/kg) = 7.432e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
@ -1794,7 +1794,7 @@ Zn 4.397e-10
------------------------------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+
H2(g) -39.40 -42.55 -3.15 H2
@ -1831,7 +1831,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -1.388e-07
@ -1888,7 +1888,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.348e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
@ -1928,7 +1928,7 @@ Zn 1.626e-10
------------------------------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+
H2(g) -39.33 -42.48 -3.15 H2
@ -1965,7 +1965,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.399e-04
@ -2022,7 +2022,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.211e-05
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
Iterations = 21
@ -2062,7 +2062,7 @@ Zn 9.969e-05
------------------------------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+
H2(g) -40.19 -43.34 -3.15 H2
@ -2099,7 +2099,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.178e-04
@ -2156,7 +2156,7 @@ Hfo_w
Total alkalinity (eq/kg) = -6.800e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 21
@ -2196,7 +2196,7 @@ Zn 9.923e-05
------------------------------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+
H2(g) -40.12 -43.27 -3.15 H2
@ -2233,7 +2233,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 9.839e-05
@ -2290,7 +2290,7 @@ Hfo_w
Total alkalinity (eq/kg) = -3.810e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 21
@ -2330,7 +2330,7 @@ Zn 9.832e-05
------------------------------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+
H2(g) -40.05 -43.20 -3.15 H2
@ -2367,7 +2367,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 8.089e-05
@ -2424,7 +2424,7 @@ Hfo_w
Total alkalinity (eq/kg) = -2.117e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 23
@ -2464,7 +2464,7 @@ Zn 9.698e-05
------------------------------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+
H2(g) -39.97 -43.12 -3.15 H2
@ -2501,7 +2501,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 6.529e-05
@ -2558,7 +2558,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.147e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 22
@ -2598,7 +2598,7 @@ Zn 9.549e-05
------------------------------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+
H2(g) -39.90 -43.05 -3.15 H2
@ -2635,7 +2635,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 5.100e-05
@ -2692,7 +2692,7 @@ Hfo_w
Total alkalinity (eq/kg) = -5.666e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22
@ -2732,7 +2732,7 @@ Zn 9.374e-05
------------------------------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+
H2(g) -39.83 -42.98 -3.15 H2
@ -2769,7 +2769,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 3.598e-05
@ -2826,7 +2826,7 @@ Hfo_w
Total alkalinity (eq/kg) = -1.809e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22
@ -2866,7 +2866,7 @@ Zn 9.074e-05
------------------------------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+
H2(g) -39.76 -42.91 -3.15 H2
@ -2903,7 +2903,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 1.709e-05
@ -2960,7 +2960,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.361e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 22
@ -3000,7 +3000,7 @@ Zn 8.483e-05
------------------------------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+
H2(g) -39.69 -42.84 -3.15 H2
@ -3037,7 +3037,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -7.621e-06
@ -3094,7 +3094,7 @@ Hfo_w
Total alkalinity (eq/kg) = 4.762e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 23
@ -3134,7 +3134,7 @@ Zn 7.501e-05
------------------------------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+
H2(g) -39.62 -42.77 -3.15 H2
@ -3171,7 +3171,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -3.628e-05
@ -3228,7 +3228,7 @@ Hfo_w
Total alkalinity (eq/kg) = 9.321e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24
@ -3268,7 +3268,7 @@ Zn 6.245e-05
------------------------------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+
H2(g) -39.55 -42.70 -3.15 H2
@ -3305,7 +3305,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -6.533e-05
@ -3362,7 +3362,7 @@ Hfo_w
Total alkalinity (eq/kg) = 1.643e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24
@ -3402,7 +3402,7 @@ Zn 4.942e-05
------------------------------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+
H2(g) -39.47 -42.62 -3.15 H2
@ -3439,7 +3439,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -9.246e-05
@ -3496,7 +3496,7 @@ Hfo_w
Total alkalinity (eq/kg) = 2.853e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 23
@ -3536,7 +3536,7 @@ Zn 3.750e-05
------------------------------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+
H2(g) -39.40 -42.55 -3.15 H2
@ -3573,7 +3573,7 @@ Using pure phase assemblage 1.
-------------------------------Phase 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
NaOH is reactant 1.000e+01 1.000e+01 -1.167e-04
@ -3630,7 +3630,7 @@ Hfo_w
Total alkalinity (eq/kg) = 4.985e-06
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 26
@ -3670,7 +3670,7 @@ Zn 2.761e-05
------------------------------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+
H2(g) -39.33 -42.48 -3.15 H2

70
ex9.out
View File

@ -175,7 +175,7 @@ Initial solution 1.
Total alkalinity (eq/kg) = 2.308e-07
Total carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 9
@ -207,7 +207,7 @@ O(0) 5.466e-04
------------------------------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
H2O(g) -1.51 -0.00 1.51 H2O
@ -239,7 +239,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 208
@ -310,7 +310,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -337,7 +337,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 27
@ -408,7 +408,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -435,7 +435,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 67
@ -506,7 +506,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -533,7 +533,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 26
@ -604,7 +604,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -631,7 +631,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24
@ -702,7 +702,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -729,7 +729,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24
@ -800,7 +800,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -827,7 +827,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23
@ -898,7 +898,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -925,7 +925,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23
@ -996,7 +996,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -1023,7 +1023,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
@ -1094,7 +1094,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -1121,7 +1121,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
@ -1192,7 +1192,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2
@ -1219,7 +1219,7 @@ Kinetics 1. Kinetics defined in simulation 2.
-------------------------------Phase 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
@ -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 carbon (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
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
@ -1290,7 +1290,7 @@ O(0) 5.466e-04
------------------------------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
H2(g) -41.26 -44.41 -3.15 H2