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Updated output files for current version

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Charlton, Scott R 2024-09-20 14:36:02 -06:00
parent 4a0d366eef
commit 8d50b95a9f
24 changed files with 433 additions and 502 deletions
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3
ex1.out
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@ -124,7 +124,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
Specific Conductance (µS/cm, 25°C) = 52856
Density (g/cm³) = 1.02328
Volume (L) = 1.01278
Viscosity (mPa s) = 0.96029
Viscosity (mPa s) = 0.96030
Activity of water = 0.981
Ionic strength (mol/kgw) = 6.704e-01
Mass of water (kg) = 1.000e+00
@ -248,7 +248,6 @@ Na 4.854e-01
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
O(0) 4.381e-04
O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40
S(6) 2.926e-02

6
ex10.out
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@ -123,7 +123,7 @@ Initial solution 1.
Specific Conductance (µS/cm, 25°C) = 701
Density (g/cm³) = 0.99755
Volume (L) = 1.00310
Viscosity (mPa s) = 0.89435
Viscosity (mPa s) = 0.89463
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.134e-02
Mass of water (kg) = 1.000e+00
@ -206,10 +206,10 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02
pH = 6.058 Charge balance
pe = 11.902 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1708
Specific Conductance (µS/cm, 25°C) = 1684
Density (g/cm³) = 0.99860
Volume (L) = 1.00434
Viscosity (mPa s) = 0.89962
Viscosity (mPa s) = 0.92188
Activity of water = 0.999
Ionic strength (mol/kgw) = 2.900e-02
Mass of water (kg) = 9.999e-01

3
ex11.out
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@ -126,7 +126,7 @@ Initial solution 1. Initial solution for column
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.200e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.017e-18
Total alkalinity (eq/kg) = -1.027e-18
Temperature (°C) = 25.00
Electrical balance (eq) = -9.088e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
@ -150,7 +150,6 @@ N(5) 1.200e-03
NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49
Na 1.000e-03
Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47
NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0)
O(0) 5.351e-04
O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40

38
ex11trn.sel
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@ -57,27 +57,27 @@
55 8.344533301406e-04 1.131625845338e-03 3.655466698441e-04 0.000000000000e+00 1.387500000000e+00
56 7.847919650475e-04 1.142020362045e-03 4.152080349369e-04 0.000000000000e+00 1.412500000000e+00
57 7.284538372959e-04 1.150973656035e-03 4.715461626881e-04 3.531139650212e-28 1.437500000000e+00
58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178351e-26 1.462500000000e+00
58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178352e-26 1.462500000000e+00
59 6.042301758578e-04 1.165225432017e-03 5.957698241254e-04 2.112623929847e-24 1.487500000000e+00
60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241146e-23 1.512500000000e+00
60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241147e-23 1.512500000000e+00
61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871101e-21 1.537500000000e+00
62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754641e-19 1.562500000000e+00
63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268300e-18 1.587500000000e+00
64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724513e-16 1.612500000000e+00
65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487699e-15 1.637500000000e+00
66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678983e-14 1.662500000000e+00
62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754642e-19 1.562500000000e+00
63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268301e-18 1.587500000000e+00
64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724514e-16 1.612500000000e+00
65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487700e-15 1.637500000000e+00
66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678986e-14 1.662500000000e+00
67 2.026802660677e-04 1.191965263410e-03 9.973197311041e-04 1.404108206640e-12 1.687500000000e+00
68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178733e-11 1.712500000000e+00
69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832664e-10 1.737500000000e+00
70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988345e-08 1.762500000000e+00
71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005567e-07 1.787500000000e+00
72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617447e-06 1.812500000000e+00
73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048444e-05 1.837500000000e+00
68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178734e-11 1.712500000000e+00
69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832667e-10 1.737500000000e+00
70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988346e-08 1.762500000000e+00
71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005568e-07 1.787500000000e+00
72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617448e-06 1.812500000000e+00
73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048446e-05 1.837500000000e+00
74 5.053198367604e-05 1.197971659937e-03 7.350507107061e-04 2.072086528030e-04 1.862500000000e+00
75 3.879701357395e-05 1.198343349753e-03 5.356918142768e-04 3.127555860708e-04 1.887500000000e+00
75 3.879701357395e-05 1.198343349753e-03 5.356918142767e-04 3.127555860708e-04 1.887500000000e+00
76 3.007678322722e-05 1.198648658204e-03 4.021188008094e-04 3.839022079790e-04 1.912500000000e+00
77 2.344463549483e-05 1.198899057198e-03 3.068522371412e-04 4.348515636801e-04 1.937500000000e+00
78 1.834047972307e-05 1.199104120993e-03 2.366187847945e-04 4.725203677398e-04 1.962500000000e+00
77 2.344463549483e-05 1.198899057198e-03 3.068522371411e-04 4.348515636801e-04 1.937500000000e+00
78 1.834047972307e-05 1.199104120993e-03 2.366187847944e-04 4.725203677398e-04 1.962500000000e+00
79 1.438416333582e-05 1.199271821253e-03 1.838015689086e-04 5.009071338768e-04 1.987500000000e+00
80 1.130287552755e-05 1.199408780437e-03 1.435541337153e-04 5.225714953778e-04 2.012500000000e+00
81 8.894854154099e-06 1.199520488471e-03 1.125953626079e-04 5.392548916185e-04 2.037500000000e+00
@ -86,13 +86,13 @@
84 4.362237388672e-06 1.199745698858e-03 5.532050326743e-05 5.701586296717e-04 2.112500000000e+00
85 3.445231625616e-06 1.199794545990e-03 4.384740222256e-05 5.763536830758e-04 2.137500000000e+00
86 2.722483623513e-06 1.199834157394e-03 3.481279241283e-05 5.812323619826e-04 2.162500000000e+00
87 2.152343734153e-06 1.199866246232e-03 2.768046312193e-05 5.850835965725e-04 2.187500000000e+00
87 2.152343734153e-06 1.199866246232e-03 2.768046312192e-05 5.850835965725e-04 2.187500000000e+00
88 1.702259902002e-06 1.199892215323e-03 2.203774543638e-05 5.881299973317e-04 2.212500000000e+00
89 1.346733078607e-06 1.199913211686e-03 1.756522033724e-05 5.905440232928e-04 2.237500000000e+00
90 1.065752199293e-06 1.199930171882e-03 1.401446577327e-05 5.924598910143e-04 2.262500000000e+00
91 8.435890597776e-07 1.199943859609e-03 1.119149963194e-05 5.939824556550e-04 2.287500000000e+00
92 6.678659094764e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00
93 5.288312745990e-07 1.199963789378e-03 7.153523668295e-06 5.961588225292e-04 2.337500000000e+00
92 6.678659094763e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00
93 5.288312745990e-07 1.199963789378e-03 7.153523668294e-06 5.961588225292e-04 2.337500000000e+00
94 4.187957414427e-07 1.199970948301e-03 5.724978921457e-06 5.969281126691e-04 2.362500000000e+00
95 3.316912256408e-07 1.199976707113e-03 4.584400974714e-06 5.975419539002e-04 2.387500000000e+00
96 2.627259549757e-07 1.199981336185e-03 3.673012861562e-06 5.980321305921e-04 2.412500000000e+00

4
ex12.sel
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@ -75,7 +75,7 @@
2.83333 1.078314727713e+00 1.077198297073e+00 2.292280169464e+01 5.933476222844e+00
3.16666 6.047305557783e-01 6.039382767914e-01 2.339606171644e+01 4.701379781820e+00
3.5 3.237709470080e-01 3.232490525632e-01 2.367675094204e+01 3.667800399953e+00
3.83333 1.655104664086e-01 1.651896628001e-01 2.383481033299e+01 2.816701882844e+00
3.83333 1.655104664086e-01 1.651896628002e-01 2.383481033299e+01 2.816701882844e+00
4.16666 8.080257204240e-02 8.061777229753e-02 2.391938222449e+01 2.128773573946e+00
4.5 3.768568646672e-02 3.758557520676e-02 2.396241442239e+01 1.582986272153e+00
4.83333 1.679767756894e-02 1.674652868459e-02 2.398325346955e+01 1.157966472262e+00
@ -107,7 +107,7 @@
13.5 1.456506511045e-03 1.450373187822e-03 2.399854962640e+01 2.689568433456e-01
13.8333 3.570772369452e-03 3.557230846966e-03 2.399644276858e+01 3.761696764504e-01
14.1667 8.372702446682e-03 8.344318209114e-03 2.399165568100e+01 5.167554989993e-01
14.5 1.876668623423e-02 1.871028306261e-02 2.398128971588e+01 6.972801618698e-01
14.5 1.876668623423e-02 1.871028306262e-02 2.398128971588e+01 6.972801618698e-01
14.8333 4.018855158439e-02 4.008246069532e-02 2.395991753791e+01 9.242091443386e-01
15.1667 8.218587185627e-02 8.199729506180e-02 2.391800270313e+01 1.203352315083e+00
15.5 1.604262488969e-01 1.601100284715e-01 2.383988996925e+01 1.539191520808e+00

12
ex12a.sel
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@ -105,16 +105,16 @@
0.5 1.732877230198e+01 1.732818349806e+01 6.671816494265e+00 2.011806700218e+01 9.000885944563e-08 3.998622946029e-05
0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398538e+01 1.760855984595e+01
1.16667 9.764783869793e+00 9.763295612551e+00 1.423670437487e+01 1.521226338238e+01
1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470946e-06 5.706265744742e-05
1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470925e-06 5.706265744742e-05
1.83333 4.633445178532e+00 4.631592230628e+00 1.936840775690e+01 1.089878644681e+01
2.16667 2.983957613764e+00 2.982233846716e+00 2.101776614197e+01 9.031332911150e+00
2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299459e-06 1.617537638526e-05
2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299443e-06 1.617537638526e-05
2.83333 1.078309641703e+00 1.077193213980e+00 2.292280677773e+01 5.933464823767e+00
3.16667 6.047271172834e-01 6.039348411906e-01 2.339606515204e+01 4.701369003156e+00
3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892205e-06 -3.366526094913e-06
3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892201e-06 -3.366526094913e-06
3.83333 1.655091653734e-01 1.651883636811e-01 2.383481163211e+01 2.816693051604e+00
4.16667 8.080184009388e-02 8.061704168687e-02 2.391938295510e+01 2.128765894911e+00
4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372489e-06 -2.476867168243e-06
4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372485e-06 -2.476867168242e-06
4.83333 1.679748179371e-02 1.674633341902e-02 2.398325366481e+01 1.157961083143e+00
5.16667 7.158658672534e-03 7.133952391643e-03 2.399286604633e+01 8.331082803354e-01
5.5 2.918406916536e-03 2.907101078212e-03 2.399709289802e+01 5.894142528789e-01 4.455972089510e-06 -4.912290758279e-07
@ -123,10 +123,10 @@
6.5 1.523110828883e-04 1.515144739607e-04 2.399984848524e+01 1.884278508358e-01 2.697942283073e-06 -4.814123673546e-08
6.83333 5.227158933236e-05 5.197321123247e-05 2.399994802660e+01 1.244614394110e-01
7.16667 1.720693831522e-05 1.710029263504e-05 2.399998289958e+01 8.078687428981e-02
7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985251e-06 -2.664487783140e-09
7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985252e-06 -2.664487783140e-09
7.83333 1.649088195275e-06 1.637200882995e-06 2.399999836275e+01 3.231618817631e-02
8.16667 4.806358157844e-07 4.769214798034e-07 2.399999952305e+01 1.995341519604e-02
8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268245e-11
8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268244e-11
8.83333 3.634651793240e-08 3.602679113544e-08 2.399999996396e+01 7.477181955864e-03
9.16667 9.688299803978e-09 9.597461159243e-09 2.399999999040e+01 4.798414843917e-03
9.5 3.521245209155e-09 3.486098607350e-09 2.399999999651e+01 3.529705336616e-03

1
ex13a.out
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@ -87,7 +87,6 @@ N(5) 1.000e-03
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47
NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0)
O(0) 5.110e-04
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40

1
ex13ac.out
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@ -87,7 +87,6 @@ N(5) 1.000e-03
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47
NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0)
O(0) 5.110e-04
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40

1
ex13b.out
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@ -87,7 +87,6 @@ N(5) 1.000e-03
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47
NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0)
O(0) 5.110e-04
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40

1
ex13c.out
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@ -87,7 +87,6 @@ N(5) 1.000e-03
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
Na 1.000e-03
Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47
NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0)
O(0) 5.110e-04
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40

21
ex14.out
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@ -88,10 +88,10 @@ Initial solution 1. Brine
pH = 5.713
pe = 14.962 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 243000
Specific Conductance (µS/cm, 25°C) = 242995
Density (g/cm³) = 1.21629
Volume (L) = 1.13700
Viscosity (mPa s) = 1.95441
Viscosity (mPa s) = 1.95446
Activity of water = 0.785
Ionic strength (mol/kgw) = 7.270e+00
Mass of water (kg) = 1.000e+00
@ -152,7 +152,6 @@ Na 5.402e+00
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0)
O(0) 9.585e-05
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
S(-2) 0.000e+00
@ -249,10 +248,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
pH = 5.720 Charge balance
pe = 14.955 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 242937
Specific Conductance (µS/cm, 25°C) = 242932
Density (g/cm³) = 1.21626
Volume (L) = 1.13699
Viscosity (mPa s) = 1.95490
Viscosity (mPa s) = 1.95495
Activity of water = 0.785
Ionic strength (mol/kgw) = 7.270e+00
Mass of water (kg) = 1.000e+00
@ -313,7 +312,6 @@ Na 5.402e+00
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0)
O(0) 9.585e-05
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
S(-2) 0.000e+00
@ -467,7 +465,7 @@ Initial solution 0. 20 x precipitation
Specific Conductance (µS/cm, 25°C) = 81
Density (g/cm³) = 0.99708
Volume (L) = 1.00298
Viscosity (mPa s) = 0.89050
Viscosity (mPa s) = 0.89051
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.036e-03
Mass of water (kg) = 1.000e+00
@ -523,7 +521,6 @@ Na 1.227e-04
Na+ 1.223e-04 1.179e-04 -3.913 -3.928 -0.016 -1.48
NaSO4- 3.912e-07 3.775e-07 -6.408 -6.423 -0.016 -20.88
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
NaOH 4.751e-24 4.753e-24 -23.323 -23.323 0.000 (0)
O(0) 5.111e-04
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
S(-2) 0.000e+00
@ -599,10 +596,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03
pH = 7.047 Charge balance
pe = 13.576 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 603
Specific Conductance (µS/cm, 25°C) = 602
Density (g/cm³) = 0.99746
Volume (L) = 1.00305
Viscosity (mPa s) = 0.89401
Viscosity (mPa s) = 0.89550
Activity of water = 1.000
Ionic strength (mol/kgw) = 9.649e-03
Mass of water (kg) = 9.999e-01
@ -658,7 +655,6 @@ Na 1.227e-04
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
NaOH 1.240e-21 1.243e-21 -20.907 -20.906 0.001 (0)
O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00
@ -1002,7 +998,7 @@ X 1.000e+00 mol
Specific Conductance (µS/cm, 25°C) = 602
Density (g/cm³) = 0.99746
Volume (L) = 1.00305
Viscosity (mPa s) = 0.89401
Viscosity (mPa s) = 0.89550
Activity of water = 1.000
Ionic strength (mol/kgw) = 9.645e-03
Mass of water (kg) = 9.999e-01
@ -1063,7 +1059,6 @@ Na 1.227e-04
Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
NaOH 1.239e-21 1.242e-21 -20.907 -20.906 0.001 (0)
O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00

6
ex16.out
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@ -82,7 +82,7 @@ Initial solution 1.
Specific Conductance (µS/cm, 25°C) = 38
Density (g/cm³) = 0.99708
Volume (L) = 1.00300
Viscosity (mPa s) = 0.89038
Viscosity (mPa s) = 0.89070
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.855e-04
Mass of water (kg) = 1.000e+00
@ -141,7 +141,6 @@ Na 1.340e-04
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
S(6) 1.000e-05
@ -212,7 +211,7 @@ Initial solution 2.
Specific Conductance (µS/cm, 25°C) = 97
Density (g/cm³) = 0.99712
Volume (L) = 1.00301
Viscosity (mPa s) = 0.89080
Viscosity (mPa s) = 0.89116
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.317e-03
Mass of water (kg) = 1.000e+00
@ -271,7 +270,6 @@ Na 2.590e-04
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
S(6) 2.500e-05

4
ex17b.out
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@ -2482,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 181678
Specific Conductance (µS/cm, 25°C) = 181677
Density (g/cm³) = 1.23961
Volume (L) = 0.01574
Viscosity (mPa s) = 2.84317
@ -2641,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00
pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 176353
Specific Conductance (µS/cm, 25°C) = 176352
Density (g/cm³) = 1.24332
Volume (L) = 0.01472
Viscosity (mPa s) = 2.98015

8
ex18.out
View File

@ -121,7 +121,7 @@ Initial solution 1. Recharge number 3
Specific Conductance (µS/cm, 10°C) = 278
Density (g/cm³) = 0.99999
Volume (L) = 1.00035
Viscosity (mPa s) = 1.31358
Viscosity (mPa s) = 1.31409
Activity of water = 1.000
Ionic strength (mol/kgw) = 6.588e-03
Mass of water (kg) = 1.000e+00
@ -193,7 +193,6 @@ Na 2.000e-05
Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42
NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
S(6) 1.600e-04
@ -256,10 +255,10 @@ Initial solution 2. Mysse
pH = 6.610
pe = 0.000
Specific Conductance (µS/cm, 63°C) = 10507
Specific Conductance (µS/cm, 63°C) = 10505
Density (g/cm³) = 0.98520
Volume (L) = 1.01942
Viscosity (mPa s) = 0.45606
Viscosity (mPa s) = 0.45631
Activity of water = 0.999
Ionic strength (mol/kgw) = 7.101e-02
Mass of water (kg) = 1.000e+00
@ -339,7 +338,6 @@ Na 3.189e-02
Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09
NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51
S(-2) 2.600e-04

2
ex21.out
View File

@ -139,7 +139,6 @@ H(0) 1.416e-25
H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61
Na 1.000e-03
Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48
NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
@ -502,7 +501,6 @@ Na 2.400e-01
Na+ 2.347e-01 1.701e-01 -0.629 -0.769 -0.140 -0.85
NaSO4- 5.251e-03 3.746e-03 -2.280 -2.426 -0.147 2.97
NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75
NaOH 5.351e-18 5.818e-18 -17.272 -17.235 0.036 (0)
O(0) 2.438e-04
O2 1.219e-04 1.325e-04 -3.914 -3.878 0.036 30.24
S(6) 1.410e-02

432
ex22.out
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File diff suppressed because it is too large Load Diff

80
ex3.out
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@ -121,7 +121,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03
Specific Conductance (µS/cm, 25°C) = 307
Density (g/cm³) = 0.99726
Volume (L) = 1.00300
Viscosity (mPa s) = 0.89219
Viscosity (mPa s) = 0.89272
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.826e-03
Mass of water (kg) = 1.000e+00
@ -232,7 +232,7 @@ Initial solution 2. Seawater
Specific Conductance (µS/cm, 25°C) = 52856
Density (g/cm³) = 1.02328
Volume (L) = 1.01278
Viscosity (mPa s) = 0.96029
Viscosity (mPa s) = 0.96030
Activity of water = 0.981
Ionic strength (mol/kgw) = 6.704e-01
Mass of water (kg) = 1.000e+00
@ -291,7 +291,6 @@ Na 4.854e-01
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0)
O(0) 6.622e-20
O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40
S(6) 2.926e-02
@ -389,11 +388,11 @@ Mixture 1.
----------------------------Description of solution----------------------------
pH = 7.327 Charge balance
pe = 10.559 Adjusted to redox equilibrium
pe = 10.560 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18310
Density (g/cm³) = 1.00526
Volume (L) = 1.00578
Viscosity (mPa s) = 0.91373
Viscosity (mPa s) = 0.91375
Activity of water = 0.994
Ionic strength (mol/kgw) = 2.068e-01
Mass of water (kg) = 1.000e+00
@ -415,7 +414,7 @@ Mixture 1.
H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46
CH4 0.000e+00 0.000e+00 -122.397 -122.377 0.021 35.46
C(4) 3.175e-03
HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15
CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43
@ -437,8 +436,8 @@ Ca 4.334e-03
Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46
HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0)
H(0) 2.284e-39
H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61
H(0) 2.281e-39
H2 1.140e-39 1.196e-39 -38.943 -38.922 0.021 28.61
K 3.173e-03
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
@ -454,14 +453,13 @@ Na 1.456e-01
Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0)
O(0) 5.475e-15
O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40
O(0) 5.492e-15
O2 2.746e-15 2.880e-15 -14.561 -14.541 0.021 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00
H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27
S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09
HS- 0.000e+00 0.000e+00 -119.522 -119.674 -0.152 21.00
H2S 0.000e+00 0.000e+00 -120.080 -120.059 0.021 36.27
S-2 0.000e+00 0.000e+00 -124.735 -125.266 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -241.417 -241.396 0.021 30.09
S(6) 8.777e-03
SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
@ -484,7 +482,7 @@ Si 2.215e-05
Aragonite -0.27 -8.60 -8.34 CaCO3
Arcanite -6.35 -8.23 -1.88 K2SO4
Calcite -0.12 -8.60 -8.48 CaCO3
CH4(g) -119.57 -122.37 -2.80 CH4
CH4(g) -119.57 -122.38 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4
CO2(g) -2.21 -3.68 -1.47 CO2
@ -503,7 +501,7 @@ Si 2.215e-05
Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -89.17 -84.28 4.88 S
Sulfur -89.17 -84.29 4.88 S
Sylvite -4.47 -3.57 0.90 KCl
Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2
Thenardite -4.56 -4.86 -0.30 Na2SO4
@ -565,10 +563,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
pH = 7.047 Charge balance
pe = 10.927 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18479
Specific Conductance (µS/cm, 25°C) = 18478
Density (g/cm³) = 1.00533
Volume (L) = 1.00583
Viscosity (mPa s) = 0.91249
Viscosity (mPa s) = 0.91253
Activity of water = 0.994
Ionic strength (mol/kgw) = 2.071e-01
Mass of water (kg) = 1.000e+00
@ -590,7 +588,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46
CH4 0.000e+00 0.000e+00 -122.863 -122.843 0.021 35.46
C(4) 3.016e-03
HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15
CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43
@ -612,8 +610,8 @@ Ca 1.196e-02
Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0)
H(0) 1.519e-39
H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61
H(0) 1.518e-39
H2 7.590e-40 7.961e-40 -39.120 -39.099 0.021 28.61
K 3.173e-03
K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35
KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
@ -629,14 +627,13 @@ Na 1.456e-01
Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0)
O(0) 1.238e-14
O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40
O(0) 1.239e-14
O2 6.197e-15 6.500e-15 -14.208 -14.187 0.021 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00
H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27
S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09
HS- 0.000e+00 0.000e+00 -119.937 -120.090 -0.152 21.00
H2S 0.000e+00 0.000e+00 -120.216 -120.195 0.021 36.27
S-2 0.000e+00 0.000e+00 -125.429 -125.961 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -241.689 -241.669 0.021 30.09
S(6) 8.777e-03
SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
@ -673,7 +670,7 @@ Si 2.215e-05
Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O
Kieserite -4.32 -5.48 -1.16 MgSO4:H2O
Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O
O2(g) -11.30 -14.19 -2.89 O2
O2(g) -11.29 -14.19 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
@ -738,10 +735,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
pH = 7.433 Charge balance
pe = 10.542 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18315
Specific Conductance (µS/cm, 25°C) = 18314
Density (g/cm³) = 1.00527
Volume (L) = 1.00578
Viscosity (mPa s) = 0.91380
Viscosity (mPa s) = 0.91382
Activity of water = 0.994
Ionic strength (mol/kgw) = 2.069e-01
Mass of water (kg) = 1.000e+00
@ -763,7 +760,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46
CH4 0.000e+00 0.000e+00 -123.203 -123.182 0.021 35.46
C(4) 3.221e-03
HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
@ -785,8 +782,8 @@ Ca 4.380e-03
Cl 1.697e-01
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0)
H(0) 1.517e-39
H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61
H(0) 1.515e-39
H2 7.577e-40 7.946e-40 -39.121 -39.100 0.021 28.61
K 3.173e-03
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
@ -802,14 +799,13 @@ Na 1.456e-01
Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0)
O(0) 1.242e-14
O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40
O(0) 1.244e-14
O2 6.221e-15 6.524e-15 -14.206 -14.185 0.021 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00
H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27
S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09
HS- 0.000e+00 0.000e+00 -120.339 -120.491 -0.152 21.00
H2S 0.000e+00 0.000e+00 -121.003 -120.983 0.021 36.27
S-2 0.000e+00 0.000e+00 -125.445 -125.976 -0.531 (0)
(H2S)2 0.000e+00 0.000e+00 -243.264 -243.243 0.021 30.09
S(6) 8.777e-03
SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72

7
ex4.out
View File

@ -143,7 +143,6 @@ Na 6.133e-06
Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51
NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
NaOH 1.941e-25 1.941e-25 -24.712 -24.712 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
S(6) 1.353e-05
@ -226,7 +225,7 @@ Reaction 1.
Specific Conductance (µS/cm, 25°C) = 292
Density (g/cm³) = 0.99709
Volume (L) = 0.05017
Viscosity (mPa s) = 0.89045
Viscosity (mPa s) = 0.89048
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.529e-03
Mass of water (kg) = 5.002e-02
@ -297,7 +296,6 @@ Na 1.226e-04
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0)
O(0) 8.552e-08
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00
@ -397,7 +395,7 @@ Mixture 1.
Specific Conductance (µS/cm, 25°C) = 292
Density (g/cm³) = 0.99709
Volume (L) = 1.00332
Viscosity (mPa s) = 0.89045
Viscosity (mPa s) = 0.89048
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.529e-03
Mass of water (kg) = 1.000e+00
@ -468,7 +466,6 @@ Na 1.226e-04
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0)
O(0) 8.552e-08
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00

25
ex5.out
View File

@ -165,7 +165,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.140e-08
Specific Conductance (µS/cm, 25°C) = 96
Density (g/cm³) = 0.99711
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89093
Viscosity (mPa s) = 0.89095
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.463e-03
Mass of water (kg) = 1.000e+00
@ -326,7 +326,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
Specific Conductance (µS/cm, 25°C) = 271
Density (g/cm³) = 0.99719
Volume (L) = 1.00298
Viscosity (mPa s) = 0.89164
Viscosity (mPa s) = 0.89165
Activity of water = 1.000
Ionic strength (mol/kgw) = 3.605e-03
Mass of water (kg) = 1.000e+00
@ -405,7 +405,6 @@ Na 5.000e-04
Na+ 4.967e-04 4.656e-04 -3.304 -3.332 -0.028 -1.44
NaSO4- 3.031e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09
NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73
NaOH 6.961e-20 6.967e-20 -19.157 -19.157 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -70.542 -70.542 0.000 30.40
S(-2) 1.071e-09
@ -486,9 +485,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.401e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.932e-03
Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03
Gypsum -1.05 -5.64 -4.58 0.000e+00 0 0.000e+00
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
-----------------------------Solution composition------------------------------
@ -508,7 +507,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
Specific Conductance (µS/cm, 25°C) = 913
Density (g/cm³) = 0.99754
Volume (L) = 1.00300
Viscosity (mPa s) = 0.89302
Viscosity (mPa s) = 0.89303
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.219e-02
Mass of water (kg) = 1.000e+00
@ -517,7 +516,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Iterations = 25
Total H = 1.110111e+02
Total O = 5.551754e+01
@ -587,7 +586,6 @@ Na 2.500e-03
Na+ 2.443e-03 2.187e-03 -2.612 -2.660 -0.048 -1.36
NaSO4- 5.622e-05 5.046e-05 -4.250 -4.297 -0.047 -14.46
NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73
NaOH 2.101e-19 2.107e-19 -18.678 -18.676 0.001 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -70.031 -70.030 0.001 30.40
S(-2) 6.410e-10
@ -620,7 +618,7 @@ S(6) 2.667e-03
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
FeS(ppt) -5.33 -9.25 -3.92 FeS
Goethite -0.00 -1.00 -1.00 FeOOH
Goethite 0.00 -1.00 -1.00 FeOOH
Gypsum -1.05 -5.64 -4.58 CaSO4:2H2O
H2(g) -8.07 -11.18 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -631,7 +629,7 @@ S(6) 2.667e-03
Melanterite -8.59 -10.80 -2.21 FeSO4:7H2O
Mirabilite -6.93 -8.17 -1.24 Na2SO4:10H2O
O2(g) -67.14 -70.03 -2.89 O2
Pyrite 0.00 -18.48 -18.48 FeS2
Pyrite -0.00 -18.48 -18.48 FeS2
Siderite -2.75 -13.64 -10.89 FeCO3
Sulfur -7.17 -2.29 4.88 S
Thenardite -7.87 -8.17 -0.30 Na2SO4
@ -690,7 +688,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
Specific Conductance (µS/cm, 25°C) = 1657
Density (g/cm³) = 0.99799
Volume (L) = 1.00304
Viscosity (mPa s) = 0.89443
Viscosity (mPa s) = 0.89444
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.237e-02
Mass of water (kg) = 1.000e+00
@ -769,7 +767,6 @@ Na 5.000e-03
Na+ 4.817e-03 4.179e-03 -2.317 -2.379 -0.062 -1.31
NaSO4- 1.816e-04 1.581e-04 -3.741 -3.801 -0.060 -12.22
NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73
NaOH 3.186e-19 3.202e-19 -18.497 -18.495 0.002 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.812 -69.809 0.002 30.40
S(-2) 5.033e-10
@ -951,7 +948,6 @@ Na 1.500e-02
Na+ 1.395e-02 1.136e-02 -1.855 -1.945 -0.089 -1.18
NaSO4- 1.049e-03 8.593e-04 -2.979 -3.066 -0.087 -7.84
NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73
NaOH 5.969e-19 6.052e-19 -18.224 -18.218 0.006 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.487 -69.481 0.006 30.40
S(-2) 3.528e-10
@ -1054,7 +1050,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
Specific Conductance (µS/cm, 25°C) = 5635
Density (g/cm³) = 1.00044
Volume (L) = 1.00301
Viscosity (mPa s) = 0.90053
Viscosity (mPa s) = 0.90054
Activity of water = 0.999
Ionic strength (mol/kgw) = 7.442e-02
Mass of water (kg) = 9.996e-01
@ -1133,7 +1129,6 @@ Na 2.501e-02
Na+ 2.325e-02 1.865e-02 -1.633 -1.729 -0.096 -1.15
NaSO4- 1.753e-03 1.414e-03 -2.756 -2.850 -0.093 -6.75
NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73
NaOH 9.492e-19 9.656e-19 -18.023 -18.015 0.007 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.474 -69.467 0.007 30.40
S(-2) 3.484e-10

8
ex6.out
View File

@ -3228,7 +3228,7 @@ Initial solution 1.
Specific Conductance (µS/cm, 25°C) = 288
Density (g/cm³) = 0.99712
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89020
Viscosity (mPa s) = 0.89019
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.175e-03
Mass of water (kg) = 1.000e+00
@ -3302,7 +3302,7 @@ Initial solution 2.
Specific Conductance (µS/cm, 25°C) = 190
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89011
Viscosity (mPa s) = 0.89010
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
@ -3559,7 +3559,7 @@ Initial solution 1.
Specific Conductance (µS/cm, 25°C) = 279
Density (g/cm³) = 0.99714
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89016
Viscosity (mPa s) = 0.89015
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.372e-03
Mass of water (kg) = 1.000e+00
@ -3707,7 +3707,7 @@ Initial solution 3.
Specific Conductance (µS/cm, 25°C) = 190
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89011
Viscosity (mPa s) = 0.89010
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00

88
ex7.out
View File

@ -145,7 +145,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99737
Volume (L) = 1.00304
Viscosity (mPa s) = 0.89302
Viscosity (mPa s) = 0.89454
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.281e-03
Mass of water (kg) = 1.000e+00
@ -294,10 +294,10 @@ Reaction 1.
pH = 6.829 Charge balance
pe = -3.721 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 460
Specific Conductance (µS/cm, 25°C) = 459
Density (g/cm³) = 0.99737
Volume (L) = 1.00307
Viscosity (mPa s) = 0.89305
Viscosity (mPa s) = 0.89504
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.354e-03
Mass of water (kg) = 1.000e+00
@ -400,10 +400,10 @@ Reaction 1.
pH = 6.727 Charge balance
pe = -3.642 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 463
Specific Conductance (µS/cm, 25°C) = 462
Density (g/cm³) = 0.99737
Volume (L) = 1.00310
Viscosity (mPa s) = 0.89307
Viscosity (mPa s) = 0.89549
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.425e-03
Mass of water (kg) = 1.000e+00
@ -509,7 +509,7 @@ Reaction 1.
Specific Conductance (µS/cm, 25°C) = 465
Density (g/cm³) = 0.99737
Volume (L) = 1.00313
Viscosity (mPa s) = 0.89310
Viscosity (mPa s) = 0.89590
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.495e-03
Mass of water (kg) = 1.000e+00
@ -626,10 +626,10 @@ N2(g) -3.44 3.610e-04 1.000 0.000e+00 1.647e-07 1.647e-07
pH = 6.584 Charge balance
pe = -3.504 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 468
Specific Conductance (µS/cm, 25°C) = 467
Density (g/cm³) = 0.99738
Volume (L) = 1.00315
Viscosity (mPa s) = 0.89313
Viscosity (mPa s) = 0.89624
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.565e-03
Mass of water (kg) = 1.000e+00
@ -746,10 +746,10 @@ N2(g) -3.02 9.612e-04 1.000 0.000e+00 2.567e-06 2.567e-06
pH = 6.425 Charge balance
pe = -3.320 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 479
Specific Conductance (µS/cm, 25°C) = 477
Density (g/cm³) = 0.99741
Volume (L) = 1.00320
Viscosity (mPa s) = 0.89323
Viscosity (mPa s) = 0.89735
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.837e-03
Mass of water (kg) = 9.999e-01
@ -866,10 +866,10 @@ N2(g) -2.58 2.636e-03 1.000 0.000e+00 2.006e-05 2.006e-05
pH = 6.272 Charge balance
pe = -3.138 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 499
Specific Conductance (µS/cm, 25°C) = 497
Density (g/cm³) = 0.99746
Volume (L) = 1.00327
Viscosity (mPa s) = 0.89344
Viscosity (mPa s) = 0.89888
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.355e-03
Mass of water (kg) = 9.999e-01
@ -986,10 +986,10 @@ N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04
pH = 6.161 Charge balance
pe = -3.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 532
Specific Conductance (µS/cm, 25°C) = 530
Density (g/cm³) = 0.99754
Volume (L) = 1.00338
Viscosity (mPa s) = 0.89377
Viscosity (mPa s) = 0.90075
Activity of water = 1.000
Ionic strength (mol/kgw) = 9.214e-03
Mass of water (kg) = 9.999e-01
@ -1106,10 +1106,10 @@ N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.780e-04 7.780e-04
pH = 6.101 Charge balance
pe = -2.919 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 568
Specific Conductance (µS/cm, 25°C) = 566
Density (g/cm³) = 0.99762
Volume (L) = 1.00348
Viscosity (mPa s) = 0.89414
Viscosity (mPa s) = 0.90252
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.016e-02
Mass of water (kg) = 9.999e-01
@ -1226,10 +1226,10 @@ N2(g) -1.60 2.537e-02 1.001 0.000e+00 2.608e-03 2.608e-03
pH = 6.071 Charge balance
pe = -2.876 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 591
Specific Conductance (µS/cm, 25°C) = 588
Density (g/cm³) = 0.99767
Volume (L) = 1.00356
Viscosity (mPa s) = 0.89437
Viscosity (mPa s) = 0.90362
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.075e-02
Mass of water (kg) = 9.999e-01
@ -1346,10 +1346,10 @@ N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03
pH = 6.055 Charge balance
pe = -2.853 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 602
Specific Conductance (µS/cm, 25°C) = 600
Density (g/cm³) = 0.99770
Volume (L) = 1.00365
Viscosity (mPa s) = 0.89448
Viscosity (mPa s) = 0.90420
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.105e-02
Mass of water (kg) = 9.999e-01
@ -1466,10 +1466,10 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02
pH = 6.047 Charge balance
pe = -2.841 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 608
Specific Conductance (µS/cm, 25°C) = 605
Density (g/cm³) = 0.99771
Volume (L) = 1.00376
Viscosity (mPa s) = 0.89454
Viscosity (mPa s) = 0.90448
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.119e-02
Mass of water (kg) = 1.000e+00
@ -1586,10 +1586,10 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02
pH = 6.043 Charge balance
pe = -2.835 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 610
Specific Conductance (µS/cm, 25°C) = 607
Density (g/cm³) = 0.99772
Volume (L) = 1.00397
Viscosity (mPa s) = 0.89456
Viscosity (mPa s) = 0.90461
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.126e-02
Mass of water (kg) = 1.000e+00
@ -1775,7 +1775,7 @@ N2(g) -4.45 3.523e-05 1.000 0.000e+00 3.341e-05 3.341e-05
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00308
Viscosity (mPa s) = 0.89304
Viscosity (mPa s) = 0.89457
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.284e-03
Mass of water (kg) = 1.000e+00
@ -1895,7 +1895,7 @@ N2(g) -4.15 7.071e-05 1.000 0.000e+00 6.706e-05 6.706e-05
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00308
Viscosity (mPa s) = 0.89304
Viscosity (mPa s) = 0.89459
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.287e-03
Mass of water (kg) = 1.000e+00
@ -2015,7 +2015,7 @@ N2(g) -3.97 1.062e-04 1.000 0.000e+00 1.008e-04 1.008e-04
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00308
Viscosity (mPa s) = 0.89304
Viscosity (mPa s) = 0.89461
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.290e-03
Mass of water (kg) = 1.000e+00
@ -2132,10 +2132,10 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04
pH = 6.944 Charge balance
pe = -3.581 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 458
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00309
Viscosity (mPa s) = 0.89304
Viscosity (mPa s) = 0.89463
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.293e-03
Mass of water (kg) = 1.000e+00
@ -2252,10 +2252,10 @@ N2(g) -3.55 2.842e-04 1.000 0.000e+00 2.696e-04 2.696e-04
pH = 6.921 Charge balance
pe = -3.593 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 458
Specific Conductance (µS/cm, 25°C) = 457
Density (g/cm³) = 0.99733
Volume (L) = 1.00309
Viscosity (mPa s) = 0.89304
Viscosity (mPa s) = 0.89471
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.303e-03
Mass of water (kg) = 1.000e+00
@ -2372,10 +2372,10 @@ N2(g) -3.24 5.690e-04 1.000 0.000e+00 5.396e-04 5.396e-04
pH = 6.878 Charge balance
pe = -3.582 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 459
Specific Conductance (µS/cm, 25°C) = 458
Density (g/cm³) = 0.99733
Volume (L) = 1.00310
Viscosity (mPa s) = 0.89305
Viscosity (mPa s) = 0.89486
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.323e-03
Mass of water (kg) = 1.000e+00
@ -2495,7 +2495,7 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03
Specific Conductance (µS/cm, 25°C) = 460
Density (g/cm³) = 0.99734
Volume (L) = 1.00313
Viscosity (mPa s) = 0.89307
Viscosity (mPa s) = 0.89515
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.365e-03
Mass of water (kg) = 1.000e+00
@ -2612,10 +2612,10 @@ N2(g) -2.64 2.268e-03 1.000 0.000e+00 2.151e-03 2.151e-03
pH = 6.690 Charge balance
pe = -3.443 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 464
Specific Conductance (µS/cm, 25°C) = 463
Density (g/cm³) = 0.99735
Volume (L) = 1.00317
Viscosity (mPa s) = 0.89310
Viscosity (mPa s) = 0.89568
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.459e-03
Mass of water (kg) = 1.000e+00
@ -2732,10 +2732,10 @@ N2(g) -2.36 4.407e-03 1.000 0.000e+00 4.181e-03 4.181e-03
pH = 6.540 Charge balance
pe = -3.309 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 472
Specific Conductance (µS/cm, 25°C) = 471
Density (g/cm³) = 0.99737
Volume (L) = 1.00326
Viscosity (mPa s) = 0.89318
Viscosity (mPa s) = 0.89657
Activity of water = 1.000
Ionic strength (mol/kgw) = 7.665e-03
Mass of water (kg) = 1.000e+00
@ -2852,10 +2852,10 @@ N2(g) -2.06 8.751e-03 1.000 0.000e+00 8.306e-03 8.306e-03
pH = 6.360 Charge balance
pe = -3.139 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 491
Specific Conductance (µS/cm, 25°C) = 490
Density (g/cm³) = 0.99742
Volume (L) = 1.00345
Viscosity (mPa s) = 0.89337
Viscosity (mPa s) = 0.89810
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.155e-03
Mass of water (kg) = 1.000e+00
@ -2972,10 +2972,10 @@ N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02
pH = 6.180 Charge balance
pe = -2.966 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 532
Specific Conductance (µS/cm, 25°C) = 530
Density (g/cm³) = 0.99753
Volume (L) = 1.00381
Viscosity (mPa s) = 0.89378
Viscosity (mPa s) = 0.90063
Activity of water = 1.000
Ionic strength (mol/kgw) = 9.223e-03
Mass of water (kg) = 1.000e+00
@ -3092,10 +3092,10 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02
pH = 6.022 Charge balance
pe = -2.811 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 614
Specific Conductance (µS/cm, 25°C) = 611
Density (g/cm³) = 0.99773
Volume (L) = 1.00454
Viscosity (mPa s) = 0.89459
Viscosity (mPa s) = 0.90495
Activity of water = 0.999
Ionic strength (mol/kgw) = 1.135e-02
Mass of water (kg) = 1.001e+00

146
ex8.out
View File

@ -119,7 +119,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 1.000e-01
Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09
NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0)
O(0) 1.615e-38
O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40
Zn 1.000e-07
@ -214,7 +213,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.533e-02 -1.000 -1.123 -0.123 29.77
Na 9.981e-02
Na+ 9.981e-02 7.836e-02 -1.001 -1.106 -0.105 -1.09
NaOH 7.724e-18 7.904e-18 -17.112 -17.102 0.010 (0)
O(0) 1.615e-38
O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40
Zn 1.000e-04
@ -382,7 +380,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77
Na 9.987e-02
Na+ 9.987e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09
NaOH 7.730e-21 7.910e-21 -20.112 -20.102 0.010 (0)
O(0) 3.858e-06
O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40
Zn 9.967e-08
@ -495,7 +492,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -9.667e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 14
Iterations = 15
Total H = 1.110122e+02
Total O = 5.580611e+01
@ -520,7 +517,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77
Na 9.990e-02
Na+ 9.990e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09
NaOH 1.375e-20 1.407e-20 -19.862 -19.852 0.010 (0)
O(0) 2.776e-06
O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40
Zn 9.910e-08
@ -633,7 +629,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -8.214e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 15
Iterations = 16
Total H = 1.110123e+02
Total O = 5.580613e+01
@ -658,7 +654,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.991e-02
Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09
NaOH 2.445e-20 2.502e-20 -19.612 -19.602 0.010 (0)
O(0) 1.998e-06
O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40
Zn 9.759e-08
@ -771,7 +766,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -6.888e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 14
Iterations = 15
Total H = 1.110123e+02
Total O = 5.580615e+01
@ -796,7 +791,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.993e-02
Na+ 9.993e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09
NaOH 4.349e-20 4.450e-20 -19.362 -19.352 0.010 (0)
O(0) 1.438e-06
O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40
Zn 9.369e-08
@ -909,7 +903,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -5.700e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 15
Iterations = 14
Total H = 1.110123e+02
Total O = 5.580616e+01
@ -934,7 +928,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.994e-02
Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09
NaOH 7.735e-20 7.915e-20 -19.112 -19.102 0.010 (0)
O(0) 1.035e-06
O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40
Zn 8.454e-08
@ -1047,7 +1040,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -4.647e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 14
Iterations = 15
Total H = 1.110123e+02
Total O = 5.580617e+01
@ -1072,7 +1065,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.995e-02
Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09
NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0)
O(0) 7.448e-07
O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40
Zn 6.679e-08
@ -1185,7 +1177,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -3.722e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 13
Iterations = 14
Total H = 1.110124e+02
Total O = 5.580618e+01
@ -1210,7 +1202,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.996e-02
Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09
NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0)
O(0) 5.360e-07
O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40
Zn 4.243e-08
@ -1323,7 +1314,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.911e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 14
Iterations = 15
Total H = 1.110124e+02
Total O = 5.580619e+01
@ -1348,7 +1339,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.997e-02
Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09
NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0)
O(0) 3.858e-07
O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40
Zn 2.114e-08
@ -1486,7 +1476,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.998e-02
Na+ 9.998e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09
NaOH 7.738e-19 7.918e-19 -18.111 -18.101 0.010 (0)
O(0) 2.776e-07
O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40
Zn 8.811e-09
@ -1624,7 +1613,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.998e-02
Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09
NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0)
O(0) 1.998e-07
O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40
Zn 3.340e-09
@ -1762,7 +1750,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.999e-02
Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09
NaOH 2.447e-18 2.504e-18 -17.611 -17.601 0.010 (0)
O(0) 1.438e-07
O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40
Zn 1.217e-09
@ -1900,7 +1887,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 1.000e-01
Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09
NaOH 4.352e-18 4.453e-18 -17.361 -17.351 0.010 (0)
O(0) 1.035e-07
O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40
Zn 4.403e-10
@ -2013,7 +1999,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -1.787e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Iterations = 14
Total H = 1.110124e+02
Total O = 5.580622e+01
@ -2038,7 +2024,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 1.000e-01
Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09
NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0)
O(0) 7.448e-08
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
Zn 1.628e-10
@ -2185,7 +2170,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -1.124e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
Iterations = 21
Iterations = 23
Total H = 1.110122e+02
Total O = 5.580609e+01
@ -2210,7 +2195,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.967e-02
Na+ 9.967e-02 7.825e-02 -1.001 -1.107 -0.105 -1.09
NaOH 7.714e-21 7.893e-21 -20.113 -20.103 0.010 (0)
O(0) 3.857e-06
O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40
Zn 9.969e-05
@ -2323,7 +2307,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -9.689e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 23
Iterations = 21
Total H = 1.110122e+02
Total O = 5.580611e+01
@ -2339,16 +2323,15 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.15
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42
N(0) 1.110e-06
N2 5.552e-07 5.682e-07 -6.256 -6.246 0.010 29.29
NH3 0.000e+00 0.000e+00 -57.016 -57.006 0.010 24.42
N(0) 1.111e-06
N2 5.553e-07 5.683e-07 -6.255 -6.245 0.010 29.29
N(3) 2.843e-13
NO2- 2.843e-13 2.142e-13 -12.546 -12.669 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.970e-02
Na+ 9.970e-02 7.827e-02 -1.001 -1.106 -0.105 -1.09
NaOH 1.372e-20 1.404e-20 -19.863 -19.853 0.010 (0)
O(0) 2.776e-06
O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40
Zn 9.923e-05
@ -2461,7 +2444,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -8.259e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 21
Iterations = 22
Total H = 1.110123e+02
Total O = 5.580613e+01
@ -2476,19 +2459,18 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.098 -53.226 -0.128 18.15
NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42
N(0) 7.997e-07
N2 3.998e-07 4.092e-07 -6.398 -6.388 0.010 29.29
N(3) 3.352e-13
NO2- 3.352e-13 2.525e-13 -12.475 -12.598 -0.123 25.24
N(0) 7.992e-07
N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29
N(3) 3.351e-13
NO2- 3.351e-13 2.525e-13 -12.475 -12.598 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.972e-02
Na+ 9.972e-02 7.828e-02 -1.001 -1.106 -0.105 -1.09
NaOH 2.440e-20 2.497e-20 -19.613 -19.603 0.010 (0)
O(0) 1.997e-06
O2 9.987e-07 1.022e-06 -6.001 -5.991 0.010 30.40
O(0) 1.998e-06
O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40
Zn 9.832e-05
Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -24.68
ZnOH+ 1.636e-08 1.278e-08 -7.786 -7.894 -0.107 (0)
@ -2599,7 +2581,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -6.970e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 22
Iterations = 23
Total H = 1.110123e+02
Total O = 5.580615e+01
@ -2624,7 +2606,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.973e-02
Na+ 9.973e-02 7.830e-02 -1.001 -1.106 -0.105 -1.09
NaOH 4.340e-20 4.441e-20 -19.362 -19.352 0.010 (0)
O(0) 1.438e-06
O2 7.189e-07 7.357e-07 -6.143 -6.133 0.010 30.40
Zn 9.698e-05
@ -2762,7 +2743,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.975e-02
Na+ 9.975e-02 7.831e-02 -1.001 -1.106 -0.105 -1.09
NaOH 7.719e-20 7.899e-20 -19.112 -19.102 0.010 (0)
O(0) 1.035e-06
O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40
Zn 9.549e-05
@ -2892,15 +2872,14 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42
N(0) 2.979e-07
N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29
N(0) 2.980e-07
N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29
N(3) 5.489e-13
NO2- 5.489e-13 4.135e-13 -12.260 -12.383 -0.123 25.24
NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.976e-02
Na+ 9.976e-02 7.832e-02 -1.001 -1.106 -0.105 -1.09
NaOH 1.373e-19 1.405e-19 -18.862 -18.852 0.010 (0)
O(0) 7.447e-07
O2 3.723e-07 3.810e-07 -6.429 -6.419 0.010 30.40
Zn 9.374e-05
@ -3038,7 +3017,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.978e-02
Na+ 9.978e-02 7.833e-02 -1.001 -1.106 -0.105 -1.09
NaOH 2.442e-19 2.499e-19 -18.612 -18.602 0.010 (0)
O(0) 5.358e-07
O2 2.679e-07 2.741e-07 -6.572 -6.562 0.010 30.40
Zn 9.075e-05
@ -3168,15 +3146,14 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.801 -56.791 0.010 24.42
N(0) 1.546e-07
N2 7.731e-08 7.911e-08 -7.112 -7.102 0.010 29.29
N(3) 7.630e-13
NO2- 7.630e-13 5.749e-13 -12.117 -12.240 -0.123 25.24
N(0) 1.547e-07
N2 7.733e-08 7.913e-08 -7.112 -7.102 0.010 29.29
N(3) 7.631e-13
NO2- 7.631e-13 5.749e-13 -12.117 -12.240 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.980e-02
Na+ 9.980e-02 7.835e-02 -1.001 -1.106 -0.105 -1.09
NaOH 4.343e-19 4.444e-19 -18.362 -18.352 0.010 (0)
O(0) 3.854e-07
O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40
Zn 8.484e-05
@ -3314,7 +3291,6 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.982e-02
Na+ 9.982e-02 7.837e-02 -1.001 -1.106 -0.105 -1.09
NaOH 7.725e-19 7.905e-19 -18.112 -18.102 0.010 (0)
O(0) 2.776e-07
O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40
Zn 7.503e-05
@ -3427,7 +3403,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.512e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 25
Iterations = 23
Total H = 1.110125e+02
Total O = 5.580627e+01
@ -3442,19 +3418,18 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.15
NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42
N(0) 7.992e-08
N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29
N(0) 7.993e-08
N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29
N(3) 1.060e-12
NO2- 1.060e-12 7.984e-13 -11.975 -12.098 -0.123 25.24
NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.985e-02
Na+ 9.985e-02 7.839e-02 -1.001 -1.106 -0.105 -1.09
NaOH 1.374e-18 1.406e-18 -17.862 -17.852 0.010 (0)
O(0) 1.998e-07
O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40
O2 9.989e-08 1.022e-07 -7.000 -6.990 0.010 30.40
Zn 6.248e-05
Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -24.68
ZnOH+ 5.783e-07 4.517e-07 -6.238 -6.345 -0.107 (0)
@ -3565,7 +3540,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.288e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 23
Iterations = 26
Total H = 1.110126e+02
Total O = 5.580630e+01
@ -3580,19 +3555,18 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.15
NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42
N(0) 5.759e-08
N2 2.879e-08 2.947e-08 -7.541 -7.531 0.010 29.29
N(3) 1.250e-12
NO2- 1.250e-12 9.414e-13 -11.903 -12.026 -0.123 25.24
N(0) 5.752e-08
N2 2.876e-08 2.943e-08 -7.541 -7.531 0.010 29.29
N(3) 1.249e-12
NO2- 1.249e-12 9.412e-13 -11.903 -12.026 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.988e-02
Na+ 9.988e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09
NaOH 2.444e-18 2.501e-18 -17.612 -17.602 0.010 (0)
O(0) 1.437e-07
O2 7.186e-08 7.353e-08 -7.144 -7.134 0.010 30.40
O(0) 1.438e-07
O2 7.189e-08 7.357e-08 -7.143 -7.133 0.010 30.40
Zn 4.944e-05
Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -24.68
ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0)
@ -3607,8 +3581,8 @@ Zn 4.944e-05
Fix_H+ -7.50 -7.50 0.00 H+
H2(g) -39.52 -42.62 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
N2(g) -4.35 -7.53 -3.18 N2
NH3(g) -58.48 -56.68 1.80 NH3
N2(g) -4.36 -7.53 -3.18 N2
NH3(g) -58.48 -56.69 1.80 NH3
O2(g) -4.24 -7.13 -2.89 O2
Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2
@ -3691,7 +3665,7 @@ Hfo_w
----------------------------Description of solution----------------------------
pH = 7.750 Charge balance
pe = 11.952 Adjusted to redox equilibrium
pe = 11.951 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 9914
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
@ -3703,7 +3677,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.080e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 25
Iterations = 23
Total H = 1.110126e+02
Total O = 5.580632e+01
@ -3718,19 +3692,18 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.42
N(0) 4.139e-08
N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29
N(3) 1.473e-12
NO2- 1.473e-12 1.109e-12 -11.832 -11.955 -0.123 25.24
NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.15
NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42
N(0) 4.165e-08
N2 2.082e-08 2.131e-08 -7.681 -7.671 0.010 29.29
N(3) 1.474e-12
NO2- 1.474e-12 1.111e-12 -11.831 -11.954 -0.123 25.24
N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.991e-02
Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09
NaOH 4.348e-18 4.449e-18 -17.362 -17.352 0.010 (0)
O(0) 1.035e-07
O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40
O(0) 1.032e-07
O2 5.162e-08 5.282e-08 -7.287 -7.277 0.010 30.40
Zn 3.752e-05
Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -24.68
ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0)
@ -3746,7 +3719,7 @@ Zn 3.752e-05
H2(g) -39.45 -42.55 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
N2(g) -4.50 -7.67 -3.18 N2
NH3(g) -58.45 -56.65 1.80 NH3
NH3(g) -58.44 -56.65 1.80 NH3
O2(g) -4.38 -7.28 -2.89 O2
Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2
@ -3841,7 +3814,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -1.854e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24
Iterations = 25
Total H = 1.110127e+02
Total O = 5.580635e+01
@ -3866,9 +3839,8 @@ N(5) 1.000e-01
NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77
Na 9.993e-02
Na+ 9.993e-02 7.845e-02 -1.000 -1.105 -0.105 -1.09
NaOH 7.734e-18 7.914e-18 -17.112 -17.102 0.010 (0)
O(0) 7.447e-08
O2 3.724e-08 3.810e-08 -7.429 -7.419 0.010 30.40
O(0) 7.448e-08
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
Zn 2.762e-05
Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -24.68
ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0)

4
ex8.sel
View File

@ -1,5 +1,5 @@
sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.0561601 9.9667e-08 1.3174e-11 3.1450e-10
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.05616 9.9667e-08 1.3174e-11 3.1450e-10
6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81073e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10
7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.8271e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09
8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14703e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09
@ -23,5 +23,5 @@
28 react 2 -99 0 1 7 12.8088 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06
30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
31 react 2 -99 0 1 7.75 11.9517 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
32 react 2 -99 0 1 8 11.666 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06

34
ex9.out
View File

@ -214,7 +214,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 9.106e-20 9.128e-20 -19.041 -19.040 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -280,7 +279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.669e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.298e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 8.244e-16
Electrical balance (eq) = 8.209e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 208 (195 overall)
Total H = 1.110124e+02
@ -320,7 +319,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 1.010e-20 1.012e-20 -19.996 -19.995 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -381,7 +379,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.858e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.041e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 8.307e-16
Electrical balance (eq) = 8.134e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 27
Total H = 1.110124e+02
@ -421,7 +419,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 5.838e-21 5.852e-21 -20.234 -20.233 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -482,7 +479,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.073e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.670e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 9.165e-16
Electrical balance (eq) = 9.043e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 67
Total H = 1.110124e+02
@ -522,7 +519,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 3.029e-21 3.036e-21 -20.519 -20.518 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -583,7 +579,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.928e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.641e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 6.899e-15
Electrical balance (eq) = 6.887e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 26
Total H = 1.110124e+02
@ -623,7 +619,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 1.921e-21 1.926e-21 -20.716 -20.715 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -684,7 +679,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.731e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.533e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 6.912e-15
Electrical balance (eq) = 6.899e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24
Total H = 1.110124e+02
@ -724,7 +719,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 1.426e-21 1.430e-21 -20.846 -20.845 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -785,7 +779,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.071e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.960e-06
Temperature (°C) = 25.00
Electrical balance (eq) = 6.927e-15
Electrical balance (eq) = 6.911e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 24
Total H = 1.110124e+02
@ -825,7 +819,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 1.076e-21 1.079e-21 -20.968 -20.967 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -886,7 +879,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.211e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.244e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 6.924e-15
Electrical balance (eq) = 6.909e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23
Total H = 1.110124e+02
@ -926,7 +919,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 8.626e-22 8.647e-22 -21.064 -21.063 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -987,7 +979,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.790e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.556e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 6.927e-15
Electrical balance (eq) = 6.909e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 23
Total H = 1.110124e+02
@ -1027,7 +1019,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 6.933e-22 6.949e-22 -21.159 -21.158 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -1088,7 +1079,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.440e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.774e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 5.316e-14
Electrical balance (eq) = 5.315e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
Total H = 1.110124e+02
@ -1128,7 +1119,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 6.109e-22 6.124e-22 -21.214 -21.213 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -1189,7 +1179,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.315e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.946e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 5.627e-14
Electrical balance (eq) = 5.625e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
Total H = 1.110124e+02
@ -1229,7 +1219,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 5.589e-22 5.602e-22 -21.253 -21.252 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40
@ -1290,7 +1279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.633e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.091e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 5.669e-14
Electrical balance (eq) = 5.667e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 20
Total H = 1.110124e+02
@ -1330,7 +1319,6 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
Na 1.000e-02
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
NaOH 5.218e-22 5.230e-22 -21.283 -21.281 0.001 (0)
O(0) 5.465e-04
O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40