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Commented out check for null. Not sure how it works for Clogging, will investigate on Linux.

Browse Source 
Checking in new SC values!


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12447 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2017-02-17 19:45:26 +00:00
parent 43ec712688
commit 7125f9e7a5
40 changed files with 7434 additions and 7351 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
ex1.out
View File

@ -120,11 +120,11 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
pH = 8.220
pe = 8.451
Specific Conductance (µS/cm, 25°C) = 53156
Specific Conductance (µS/cm, 25°C) = 52630
Density (g/cm³) = 1.02323
Volume (L) = 1.01282
Activity of water = 0.981
Ionic strength = 6.747e-01
Ionic strength (mol/kgw) = 6.747e-01
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.182e-03
Total CO2 (mol/kg) = 2.182e-03

10
ex10.out
View File

@ -119,11 +119,11 @@ Initial solution 1.
pH = 7.969 Charge balance
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 673
Specific Conductance (µS/cm, 25°C) = 661
Density (g/cm³) = 0.99755
Volume (L) = 1.00309
Activity of water = 1.000
Ionic strength = 1.105e-02
Ionic strength (mol/kgw) = 1.105e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.864e-03
Total CO2 (mol/kg) = 7.864e-03
@ -204,11 +204,11 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.926e-02
pH = 6.064 Charge balance
pe = 11.924 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1670
Specific Conductance (µS/cm, 25°C) = 1646
Density (g/cm³) = 0.99872
Volume (L) = 1.00431
Activity of water = 0.999
Ionic strength = 2.901e-02
Ionic strength (mol/kgw) = 2.901e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 2.103e-02
Total CO2 (mol/kg) = 5.372e-02
@ -8419,6 +8419,6 @@ Misc 1: 4.8032e-03
Misc 2: 8.5786e-01
-------------------------------
End of Run after 0.203 Seconds.
End of Run after 0.218 Seconds.
-------------------------------

10
ex11.out
View File

@ -59,11 +59,11 @@ Initial solution 0. CaCl2
pH = 6.995 Charge balance
pe = 13.632 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 155
Specific Conductance (µS/cm, 25°C) = 152
Density (g/cm³) = 0.99710
Volume (L) = 1.00298
Activity of water = 1.000
Ionic strength = 1.800e-03
Ionic strength (mol/kgw) = 1.800e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.950e-20
Total carbon (mol/kg) = 0.000e+00
@ -118,11 +118,11 @@ Initial solution 1. Initial solution for column
pH = 6.997 Charge balance
pe = 13.630 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 146
Specific Conductance (µS/cm, 25°C) = 145
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.200e-03
Ionic strength (mol/kgw) = 1.200e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.247e-19
Total carbon (mol/kg) = 0.000e+00
@ -212,6 +212,6 @@ Reading input data for simulation 3.
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
-------------------------------
End of Run after 1.927 Seconds.
End of Run after 1.903 Seconds.
-------------------------------

42
ex11trn.sel
View File

@ -56,27 +56,27 @@
54 8.761960899973e-04 1.119606249493e-03 3.238039099883e-04 0.000000000000e+00 1.362500000000e+00
55 8.344533301406e-04 1.131625845338e-03 3.655466698447e-04 0.000000000000e+00 1.387500000000e+00
56 7.847919650473e-04 1.142020362046e-03 4.152080349376e-04 0.000000000000e+00 1.412500000000e+00
57 7.284538372957e-04 1.150973656035e-03 4.715461626889e-04 3.531139638934e-28 1.437500000000e+00
58 6.674661295228e-04 1.158656441394e-03 5.325338704614e-04 4.216133165438e-26 1.462500000000e+00
59 6.042301758575e-04 1.165225432017e-03 5.957698241264e-04 2.112623923728e-24 1.487500000000e+00
60 5.410707042899e-04 1.170823053924e-03 6.589292956936e-04 9.154192216182e-23 1.512500000000e+00
61 4.799177066703e-04 1.175577598780e-03 7.200822933128e-04 3.514353862127e-21 1.537500000000e+00
62 4.221746364517e-04 1.179603706072e-03 7.778253635310e-04 1.207213751776e-19 1.562500000000e+00
63 3.687296865687e-04 1.183003078326e-03 8.312703134136e-04 3.694071260172e-18 1.587500000000e+00
57 7.284538372957e-04 1.150973656035e-03 4.715461626889e-04 3.531139638933e-28 1.437500000000e+00
58 6.674661295228e-04 1.158656441394e-03 5.325338704614e-04 4.216133165437e-26 1.462500000000e+00
59 6.042301758575e-04 1.165225432017e-03 5.957698241264e-04 2.112623923727e-24 1.487500000000e+00
60 5.410707042899e-04 1.170823053924e-03 6.589292956936e-04 9.154192216180e-23 1.512500000000e+00
61 4.799177066703e-04 1.175577598780e-03 7.200822933128e-04 3.514353862126e-21 1.537500000000e+00
62 4.221746364517e-04 1.179603706072e-03 7.778253635310e-04 1.207213751775e-19 1.562500000000e+00
63 3.687296865687e-04 1.183003078326e-03 8.312703134136e-04 3.694071260171e-18 1.587500000000e+00
64 3.200378094464e-04 1.185865350144e-03 8.799621905353e-04 1.035721722426e-16 1.612500000000e+00
65 2.762284431581e-04 1.188269047043e-03 9.237715568180e-04 2.657316482823e-15 1.637500000000e+00
66 2.371960440987e-04 1.190282583742e-03 9.628039557569e-04 6.272120668586e-14 1.662500000000e+00
65 2.762284431581e-04 1.188269047043e-03 9.237715568180e-04 2.657316482822e-15 1.637500000000e+00
66 2.371960440987e-04 1.190282583742e-03 9.628039557569e-04 6.272120668585e-14 1.662500000000e+00
67 2.026802660674e-04 1.191965263410e-03 9.973197311050e-04 1.404108204584e-12 1.687500000000e+00
68 1.723175379751e-04 1.193368249525e-03 1.027682402586e-03 2.970943174903e-11 1.712500000000e+00
69 1.456986526363e-04 1.194535490349e-03 1.054300174205e-03 5.865691826213e-10 1.737500000000e+00
70 1.223834694922e-04 1.195504582884e-03 1.077593516928e-03 1.150677987308e-08 1.762500000000e+00
71 1.019262303181e-04 1.196307568531e-03 1.097657241061e-03 2.082643004042e-07 1.787500000000e+00
72 8.381480436918e-05 1.196971656899e-03 1.109525476379e-03 3.329859615688e-06 1.812500000000e+00
73 6.668225222814e-05 1.197519877322e-03 1.024937206814e-03 5.419027046986e-05 1.837500000000e+00
74 5.053198367602e-05 1.197971659937e-03 7.350507107169e-04 2.072086527979e-04 1.862500000000e+00
68 1.723175379751e-04 1.193368249525e-03 1.027682402586e-03 2.970943174902e-11 1.712500000000e+00
69 1.456986526363e-04 1.194535490349e-03 1.054300174205e-03 5.865691826211e-10 1.737500000000e+00
70 1.223834694922e-04 1.195504582884e-03 1.077593516928e-03 1.150677987307e-08 1.762500000000e+00
71 1.019262303182e-04 1.196307568531e-03 1.097657241061e-03 2.082643004041e-07 1.787500000000e+00
72 8.381480436918e-05 1.196971656899e-03 1.109525476379e-03 3.329859615687e-06 1.812500000000e+00
73 6.668225222814e-05 1.197519877322e-03 1.024937206814e-03 5.419027046984e-05 1.837500000000e+00
74 5.053198367602e-05 1.197971659937e-03 7.350507107170e-04 2.072086527979e-04 1.862500000000e+00
75 3.879701357378e-05 1.198343349753e-03 5.356918142764e-04 3.127555860714e-04 1.887500000000e+00
76 3.007678322701e-05 1.198648658204e-03 4.021188008050e-04 3.839022079816e-04 1.912500000000e+00
77 2.344463549462e-05 1.198899057198e-03 3.068522371353e-04 4.348515636835e-04 1.937500000000e+00
76 3.007678322702e-05 1.198648658204e-03 4.021188008050e-04 3.839022079816e-04 1.912500000000e+00
77 2.344463549462e-05 1.198899057198e-03 3.068522371353e-04 4.348515636834e-04 1.937500000000e+00
78 1.834047972287e-05 1.199104120994e-03 2.366187847883e-04 4.725203677434e-04 1.962500000000e+00
79 1.438416333564e-05 1.199271821253e-03 1.838015689026e-04 5.009071338802e-04 1.987500000000e+00
80 1.130287552739e-05 1.199408780438e-03 1.435541337098e-04 5.225714953810e-04 2.012500000000e+00
@ -86,15 +86,15 @@
84 4.362237388587e-06 1.199745698858e-03 5.532050326413e-05 5.701586296738e-04 2.112500000000e+00
85 3.445231625545e-06 1.199794545991e-03 4.384740221973e-05 5.763536830775e-04 2.137500000000e+00
86 2.722483623453e-06 1.199834157394e-03 3.481279241042e-05 5.812323619841e-04 2.162500000000e+00
87 2.152343734104e-06 1.199866246233e-03 2.768046311987e-05 5.850835965738e-04 2.187500000000e+00
87 2.152343734104e-06 1.199866246233e-03 2.768046311988e-05 5.850835965738e-04 2.187500000000e+00
88 1.702259901960e-06 1.199892215323e-03 2.203774543465e-05 5.881299973329e-04 2.212500000000e+00
89 1.346733078573e-06 1.199913211686e-03 1.756522033577e-05 5.905440232939e-04 2.237500000000e+00
90 1.065752199265e-06 1.199930171882e-03 1.401446577203e-05 5.924598910153e-04 2.262500000000e+00
91 8.435890597541e-07 1.199943859609e-03 1.119149963090e-05 5.939824556558e-04 2.287500000000e+00
92 6.678659094570e-07 1.199954896813e-03 8.944331672510e-06 5.951939012101e-04 2.312500000000e+00
93 5.288312745831e-07 1.199963789378e-03 7.153523667569e-06 5.961588225299e-04 2.337500000000e+00
94 4.187957414296e-07 1.199970948302e-03 5.724978920851e-06 5.969281126697e-04 2.362500000000e+00
95 3.316912256300e-07 1.199976707113e-03 4.584400974209e-06 5.975419539008e-04 2.387500000000e+00
94 4.187957414297e-07 1.199970948302e-03 5.724978920851e-06 5.969281126697e-04 2.362500000000e+00
95 3.316912256301e-07 1.199976707113e-03 4.584400974209e-06 5.975419539008e-04 2.387500000000e+00
96 2.627259549669e-07 1.199981336185e-03 3.673012861141e-06 5.980321305926e-04 2.412500000000e+00
97 2.081138874062e-07 1.199985054463e-03 2.944235324056e-06 5.984238253949e-04 2.437500000000e+00
98 1.648621779906e-07 1.199988039067e-03 2.361099156762e-06 5.987370193332e-04 2.462500000000e+00

2
ex12.out
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@ -53,6 +53,6 @@ Reading input data for simulation 1.
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
-------------------------------
End of Run after 0.686 Seconds.
End of Run after 0.694 Seconds.
-------------------------------

12
ex12.sel
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@ -73,7 +73,7 @@
2.83333 1.078314727713e+00 1.077198297068e+00 2.292280169465e+01 5.933476222847e+00
3.16666 6.047305557783e-01 6.039382767880e-01 2.339606171644e+01 4.701379781822e+00
3.5 3.237709470080e-01 3.232490525611e-01 2.367675094204e+01 3.667800399955e+00
3.83333 1.655104664086e-01 1.651896627990e-01 2.383481033300e+01 2.816701882845e+00
3.83333 1.655104664086e-01 1.651896627990e-01 2.383481033299e+01 2.816701882845e+00
4.16666 8.080257204240e-02 8.061777229689e-02 2.391938222449e+01 2.128773573946e+00
4.5 3.768568646672e-02 3.758557520644e-02 2.396241442239e+01 1.582986272154e+00
4.83333 1.679767756894e-02 1.674652868444e-02 2.398325346955e+01 1.157966472263e+00
@ -89,17 +89,17 @@
8.16666 4.806491381349e-07 4.769347036498e-07 2.399999952304e+01 1.995365519989e-02
8.49999 1.346725366297e-07 1.335606226384e-07 2.399999986642e+01 1.218958904341e-02
8.83332 3.634765898121e-08 3.602792250397e-08 2.399999996396e+01 7.477287156792e-03
9.16666 9.688623034758e-09 9.597781456107e-09 2.399999999040e+01 4.798487471579e-03
9.49999 3.521368975345e-09 3.486221174467e-09 2.399999999651e+01 3.529761278079e-03
9.16666 9.688623034758e-09 9.597781456108e-09 2.399999999040e+01 4.798487471579e-03
9.49999 3.521368975345e-09 3.486221174468e-09 2.399999999651e+01 3.529761278079e-03
9.83332 5.266906600210e-09 5.215747970437e-09 2.399999999478e+01 3.350250042338e-03
10.1667 1.826871464229e-08 1.810246493761e-08 2.399999998189e+01 4.187235209478e-03
10.5 6.734356349056e-08 6.676736728794e-08 2.399999993323e+01 6.195716015130e-03
10.5 6.734356349056e-08 6.676736728795e-08 2.399999993323e+01 6.195716015130e-03
10.8333 2.402639314420e-07 2.383343475316e-07 2.399999976165e+01 9.768664014259e-03
11.1667 8.242843018529e-07 8.180891310040e-07 2.399999918189e+01 1.557505013666e-02
11.1667 8.242843018529e-07 8.180891310040e-07 2.399999918189e+01 1.557505013667e-02
11.5 2.716922549622e-06 2.697877300163e-06 2.399999730209e+01 2.462264894765e-02
11.8333 8.598959192629e-06 8.542946913445e-06 2.399999145700e+01 3.834165440595e-02
12.1667 2.611819663843e-05 2.596074280433e-05 2.399997403917e+01 5.868305693760e-02
12.5 7.608967015818e-05 7.566701745556e-05 2.399992433285e+01 8.822247450201e-02
12.5 7.608967015818e-05 7.566701745557e-05 2.399992433285e+01 8.822247450201e-02
12.8333 2.124941138159e-04 2.114118449108e-04 2.399978858796e+01 1.302558794738e-01
13.1667 5.685367828663e-04 5.658959587642e-04 2.399943410375e+01 1.888688939345e-01
13.5 1.456506511045e-03 1.450373187812e-03 2.399854962640e+01 2.689568433456e-01

2
ex12a.out
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@ -165,6 +165,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
-------------------------------
End of Run after 0.578 Seconds.
End of Run after 0.597 Seconds.
-------------------------------

18
ex12a.sel
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@ -100,37 +100,37 @@
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166667 2.173421305916e+01 2.173403386064e+01 2.265966136455e+00 2.269804666232e+01
0.5 1.732877230198e+01 1.732818349807e+01 6.671816494274e+00 2.011806700220e+01 9.000883904181e-08 3.998622944701e-05
0.5 1.732877230198e+01 1.732818349807e+01 6.671816494274e+00 2.011806700220e+01 9.000883903140e-08 3.998622944698e-05
0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398540e+01 1.760855984597e+01
1.16667 9.764783869793e+00 9.763295612550e+00 1.423670437489e+01 1.521226338239e+01
1.5 6.876979954453e+00 6.875203671268e+00 1.712479631574e+01 1.296594983171e+01 1.040652460309e-06 5.706265745228e-05
1.5 6.876979954453e+00 6.875203671268e+00 1.712479631574e+01 1.296594983171e+01 1.040652460309e-06 5.706265745225e-05
1.83333 4.633445178532e+00 4.631592230621e+00 1.936840775692e+01 1.089878644682e+01
2.16667 2.983957613764e+00 2.982233846709e+00 2.101776614198e+01 9.031332911156e+00
2.5 1.835670035272e+00 1.834219344978e+00 2.216578064518e+01 7.375218041926e+00 3.202792295661e-06 1.617537639092e-05
2.5 1.835670035272e+00 1.834219344978e+00 2.216578064518e+01 7.375218041926e+00 3.202792295669e-06 1.617537639093e-05
2.83333 1.078309641703e+00 1.077193213976e+00 2.292280677774e+01 5.933464823770e+00
3.16667 6.047271172834e-01 6.039348411878e-01 2.339606515204e+01 4.701369003158e+00
3.5 3.237687663205e-01 3.232468743662e-01 2.367675312023e+01 3.667790507030e+00 5.217031890564e-06 -3.366526093210e-06
3.5 3.237687663205e-01 3.232468743662e-01 2.367675312023e+01 3.667790507030e+00 5.217031890564e-06 -3.366526093211e-06
3.83333 1.655091653734e-01 1.651883636801e-01 2.383481163211e+01 2.816693051605e+00
4.16667 8.080184009388e-02 8.061704168636e-02 2.391938295510e+01 2.128765894912e+00
4.5 3.768529738011e-02 3.758518697799e-02 2.396241481061e+01 1.582979760725e+00 5.639342371781e-06 -2.476867167991e-06
4.5 3.768529738011e-02 3.758518697799e-02 2.396241481061e+01 1.582979760725e+00 5.639342371778e-06 -2.476867167992e-06
4.83333 1.679748179371e-02 1.674633341890e-02 2.398325366481e+01 1.157961083143e+00
5.16667 7.158658672534e-03 7.133952391592e-03 2.399286604633e+01 8.331082803358e-01
5.5 2.918406916536e-03 2.907101078191e-03 2.399709289802e+01 5.894142528792e-01 4.455972089243e-06 -4.912290758067e-07
5.5 2.918406916536e-03 2.907101078191e-03 2.399709289802e+01 5.894142528792e-01 4.455972089243e-06 -4.912290758068e-07
5.83333 1.138704483513e-03 1.133794318814e-03 2.399886620505e+01 4.099953343115e-01
6.16667 4.254614091982e-04 4.234343206106e-04 2.399957656525e+01 2.803548753978e-01
6.5 1.523110828883e-04 1.515144739596e-04 2.399984848524e+01 1.884278508359e-01 2.697942282987e-06 -4.814123673435e-08
6.83333 5.227158933236e-05 5.197321123209e-05 2.399994802660e+01 1.244614394111e-01
7.16667 1.720693831522e-05 1.710029263492e-05 2.399998289958e+01 8.078687428985e-02
7.5 5.436060934909e-06 5.399649415858e-06 2.399999460027e+01 5.153218579106e-02 1.262649985228e-06 -2.664487783101e-09
7.5 5.436060934909e-06 5.399649415859e-06 2.399999460027e+01 5.153218579106e-02 1.262649985228e-06 -2.664487783102e-09
7.83333 1.649088195275e-06 1.637200882983e-06 2.399999836275e+01 3.231618817632e-02
8.16667 4.806358157844e-07 4.769214798001e-07 2.399999952305e+01 1.995341519605e-02
8.5 1.346685590700e-07 1.335566766303e-07 2.399999986642e+01 1.218943044883e-02 2.986653145739e-07 -8.898265268152e-11
8.5 1.346685590700e-07 1.335566766303e-07 2.399999986642e+01 1.218943044883e-02 2.986653145740e-07 -8.898265268152e-11
8.83333 3.634651793240e-08 3.602679113519e-08 2.399999996396e+01 7.477181955867e-03
9.16667 9.688299803978e-09 9.597461159179e-09 2.399999999040e+01 4.798414843919e-03
9.5 3.521245209155e-09 3.486098607328e-09 2.399999999651e+01 3.529705336617e-03
9.83333 5.266729325119e-09 5.215572366246e-09 2.399999999478e+01 3.350197792357e-03
10.1667 1.826814042878e-08 1.810189577515e-08 2.399999998189e+01 4.187174719459e-03
10.5 6.734157441183e-08 6.676539459845e-08 2.399999993322e+01 6.195634766519e-03
10.5 6.734157441183e-08 6.676539459846e-08 2.399999993322e+01 6.195634766519e-03
10.8333 2.402572726136e-07 2.383277400047e-07 2.399999976166e+01 9.768547401637e-03
11.1667 8.242629300769e-07 8.180679126515e-07 2.399999918191e+01 1.557488011882e-02
11.5 2.716856871595e-06 2.697812059715e-06 2.399999730215e+01 2.462240289906e-02

12
ex13a.out
View File

@ -54,11 +54,11 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 192
Specific Conductance (µS/cm, 25°C) = 191
Density (g/cm³) = 0.99712
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.500e-03
Ionic strength (mol/kgw) = 1.500e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.549e-09
Total carbon (mol/kg) = 0.000e+00
@ -141,11 +141,11 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -228,11 +228,11 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00

14
ex13ac.out
View File

@ -54,11 +54,11 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 192
Specific Conductance (µS/cm, 25°C) = 191
Density (g/cm³) = 0.99712
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.500e-03
Ionic strength (mol/kgw) = 1.500e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.549e-09
Total carbon (mol/kg) = 0.000e+00
@ -141,11 +141,11 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -228,11 +228,11 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -848,6 +848,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
-------------------------------
End of Run after 0.296 Seconds.
End of Run after 0.298 Seconds.
-------------------------------

14
ex13b.out
View File

@ -54,11 +54,11 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 192
Specific Conductance (µS/cm, 25°C) = 191
Density (g/cm³) = 0.99712
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.500e-03
Ionic strength (mol/kgw) = 1.500e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.549e-09
Total carbon (mol/kg) = 0.000e+00
@ -141,11 +141,11 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -228,11 +228,11 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -457,6 +457,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
-------------------------------
End of Run after 0.109 Seconds.
End of Run after 0.093 Seconds.
-------------------------------

12
ex13c.out
View File

@ -54,11 +54,11 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 192
Specific Conductance (µS/cm, 25°C) = 191
Density (g/cm³) = 0.99712
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.500e-03
Ionic strength (mol/kgw) = 1.500e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.549e-09
Total carbon (mol/kg) = 0.000e+00
@ -141,11 +141,11 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00
@ -228,11 +228,11 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 141
Specific Conductance (µS/cm, 25°C) = 140
Density (g/cm³) = 0.99711
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.450e-09
Total carbon (mol/kg) = 0.000e+00

38
ex14.out
View File

@ -87,18 +87,18 @@ Initial solution 1. Brine
pH = 5.713
pe = 14.962 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 485574
Density (g/cm³) = 1.21642
Specific Conductance (µS/cm, 25°C) = 264030
Density (g/cm³) = 1.21643
Volume (L) = 1.13687
Activity of water = 0.785
Ionic strength = 7.268e+00
Ionic strength (mol/kgw) = 7.268e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.827e-03
Total CO2 (mol/kg) = 3.960e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -3.871e-15
Electrical balance (eq) = -2.444e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Iterations = 12
Total H = 1.110163e+02
Total O = 5.553696e+01
@ -126,7 +126,7 @@ C(4) 3.960e-03
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 8.24
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 8.23
(CO2)2 1.717e-09 9.151e-09 -8.765 -8.039 0.727 68.87
Ca 4.655e-01
Ca+2 4.629e-01 7.102e-01 -0.335 -0.149 0.186 -13.79
@ -147,7 +147,7 @@ Mg 1.609e-01
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
Na 5.402e+00
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.52
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 1.80
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
NaOH 8.248e-19 4.397e-18 -18.084 -17.357 0.727 (0)
@ -158,7 +158,7 @@ S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -141.232 -141.567 -0.335 23.12
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
S(6) 4.725e-03
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.52
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
SO4-2 5.959e-04 2.959e-05 -3.225 -4.529 -1.304 24.57
@ -240,16 +240,16 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
pH = 5.885 Charge balance
pe = 14.789 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 485557
Specific Conductance (µS/cm, 25°C) = 264025
Density (g/cm³) = 1.21642
Volume (L) = 1.13687
Activity of water = 0.785
Ionic strength = 7.268e+00
Ionic strength (mol/kgw) = 7.268e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.914e-03
Total CO2 (mol/kg) = 4.004e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 1.249e-13
Electrical balance (eq) = 1.056e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
Total H = 1.110163e+02
@ -447,11 +447,11 @@ Initial solution 0. 20 x precipitation
pH = 4.600
pe = 16.022 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 83
Specific Conductance (µS/cm, 25°C) = 83
Density (g/cm³) = 0.99708
Volume (L) = 1.00298
Activity of water = 1.000
Ionic strength = 1.037e-03
Ionic strength (mol/kgw) = 1.037e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.630e-05
Total CO2 (mol/kg) = 1.096e-05
@ -574,11 +574,11 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.350e-03
pH = 7.047 Charge balance
pe = 13.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 583
Specific Conductance (µS/cm, 25°C) = 575
Density (g/cm³) = 0.99747
Volume (L) = 1.00305
Activity of water = 1.000
Ionic strength = 9.638e-03
Ionic strength (mol/kgw) = 9.638e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.056e-03
Total CO2 (mol/kg) = 7.117e-03
@ -966,11 +966,11 @@ X 1.000e+00 mol
pH = 7.047 Charge balance
pe = 13.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 583
Specific Conductance (µS/cm, 25°C) = 575
Density (g/cm³) = 0.99747
Volume (L) = 1.00305
Activity of water = 1.000
Ionic strength = 9.636e-03
Ionic strength (mol/kgw) = 9.636e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.054e-03
Total CO2 (mol/kg) = 7.117e-03
@ -1054,7 +1054,7 @@ S(6) 2.351e-04
CH4(g) -140.75 -143.55 -2.80 CH4
CO2(g) -1.50 -2.97 -1.47 CO2
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
Gypsum -2.25 -6.84 -4.58 CaSO4:2H2O
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -141.34 -149.33 -7.99 H2S
@ -1074,6 +1074,6 @@ Reading input data for simulation 6.
------------------------------------
-------------------------------
End of Run after 0.113 Seconds.
End of Run after 0.106 Seconds.
-------------------------------

4
ex14.sel
View File

@ -71,7 +71,7 @@
69 2.1170e-04 1.5434e-04 7.6094e-03 7.6939e-03 7.8922e+00 2.4828e+00
70 2.2795e-04 1.6633e-04 7.5173e-03 6.7838e-03 7.8607e+00 2.4828e+00
71 2.4567e-04 1.7939e-04 7.4184e-03 5.9792e-03 7.8290e+00 2.4828e+00
72 2.6497e-04 1.9363e-04 7.3122e-03 5.2695e-03 7.7972e+00 2.4827e+00
72 2.6497e-04 1.9363e-04 7.3122e-03 5.2695e-03 7.7972e+00 2.4828e+00
73 2.8598e-04 2.0912e-04 7.1983e-03 4.6446e-03 7.7652e+00 2.4827e+00
74 3.0883e-04 2.2596e-04 7.0761e-03 4.0956e-03 7.7332e+00 2.4827e+00
75 3.3363e-04 2.4425e-04 6.9451e-03 3.6140e-03 7.7013e+00 2.4827e+00
@ -92,7 +92,7 @@
90 9.6276e-04 7.1752e-04 3.9262e-03 7.6524e-04 7.2824e+00 2.4827e+00
91 1.0158e-03 7.5861e-04 3.6873e-03 7.1415e-04 7.2623e+00 2.4827e+00
92 1.0686e-03 7.9954e-04 3.4516e-03 6.6979e-04 7.2433e+00 2.4827e+00
93 1.1208e-03 8.3999e-04 3.2206e-03 6.3122e-04 7.2257e+00 2.4827e+00
93 1.1208e-03 8.3999e-04 3.2206e-03 6.3123e-04 7.2257e+00 2.4827e+00
94 1.1719e-03 8.7967e-04 2.9958e-03 5.9767e-04 7.2093e+00 2.4827e+00
95 1.2217e-03 9.1831e-04 2.7786e-03 5.6844e-04 7.1940e+00 2.4827e+00
96 1.2698e-03 9.5569e-04 2.5700e-03 5.4295e-04 7.1800e+00 2.4827e+00

2
ex15.out
View File

@ -213,6 +213,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 5.068 Seconds.
End of Run after 5.098 Seconds.
-------------------------------

2
ex15a.out
View File

@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 5.329 Seconds.
End of Run after 5.311 Seconds.
-------------------------------

2
ex15b.out
View File

@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
shifts 110
END
-------------------------------
End of Run after 5.085 Seconds.
End of Run after 5.216 Seconds.
-------------------------------

10
ex16.out
View File

@ -78,11 +78,11 @@ Initial solution 1.
pH = 6.200
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 37
Specific Conductance (µS/cm, 25°C) = 37
Density (g/cm³) = 0.99708
Volume (L) = 1.00300
Activity of water = 1.000
Ionic strength = 4.852e-04
Ionic strength (mol/kgw) = 4.852e-04
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-04
Total CO2 (mol/kg) = 7.825e-04
@ -198,11 +198,11 @@ Initial solution 2.
pH = 6.800
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 95
Specific Conductance (µS/cm, 25°C) = 94
Density (g/cm³) = 0.99712
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.314e-03
Ionic strength (mol/kgw) = 1.314e-03
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-03
Total CO2 (mol/kg) = 1.199e-03
@ -444,6 +444,6 @@ Reading input data for simulation 2.
------------------------------------
-------------------------------
End of Run after 0.007 Seconds.
End of Run after 0.021 Seconds.
-------------------------------

14
ex17.out
View File

@ -90,11 +90,11 @@ Initial solution 1. Black Sea water
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 31375
Specific Conductance (µS/cm, 25°C) = 30387
Density (g/cm³) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength = 3.751e-01
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.601e-04
Total CO2 (mol/kg) = 7.375e-04
@ -118,7 +118,7 @@ Initial solution 1. Black Sea water
H+ 1.290e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.17
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
C(4) 7.375e-04
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.91
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.35
@ -211,11 +211,11 @@ Initial solution 2. Composition during halite precipitation
pH = 5.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 602960
Specific Conductance (µS/cm, 25°C) = 187052
Density (g/cm³) = 1.27230
Volume (L) = 1.13169
Activity of water = 0.678
Ionic strength = 1.111e+01
Ionic strength (mol/kgw) = 1.111e+01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.522e-06
Total CO2 (mol/kg) = 6.950e-06
@ -239,7 +239,7 @@ Initial solution 2. Composition during halite precipitation
OH- 1.211e-08 6.863e-10 -7.917 -9.163 -1.246 11.12
H2O 5.551e+01 6.781e-01 1.744 -0.169 0.000 18.07
Br 3.785e-02
Br- 3.785e-02 4.933e-02 -1.422 -1.307 0.115 26.34
Br- 3.785e-02 4.933e-02 -1.422 -1.307 0.115 26.52
C(4) 6.950e-06
HCO3- 4.243e-06 3.324e-07 -5.372 -6.478 -1.106 46.24
CO2 2.631e-06 1.076e-05 -5.580 -4.968 0.612 34.43
@ -368,6 +368,6 @@ Reading input data for simulation 2.
------------------------------------
-------------------------------
End of Run after 0.015 Seconds.
End of Run after 0.011 Seconds.
-------------------------------

214
ex17b.out
View File

@ -92,11 +92,11 @@ Initial solution 1. Black Sea water
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 31375
Specific Conductance (µS/cm, 25°C) = 30387
Density (g/cm³) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength = 3.751e-01
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.601e-04
Total CO2 (mol/kg) = 7.375e-04
@ -120,7 +120,7 @@ Initial solution 1. Black Sea water
H+ 1.290e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.17
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
C(4) 7.375e-04
HCO3- 6.974e-04 4.854e-04 -3.157 -3.314 -0.157 25.91
CO3-2 1.577e-05 2.223e-06 -4.802 -5.653 -0.851 -1.35
@ -254,11 +254,11 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
pH = 7.996 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 31375
Specific Conductance (µS/cm, 25°C) = 30386
Density (g/cm³) = 1.01092
Volume (L) = 1.00789
Activity of water = 0.990
Ionic strength = 3.751e-01
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.523e-04
Total CO2 (mol/kg) = 7.303e-04
@ -282,7 +282,7 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
H+ 1.302e-08 1.010e-08 -7.885 -7.996 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.17
Br- 4.401e-04 3.007e-04 -3.356 -3.522 -0.165 25.07
C(4) 7.303e-04
HCO3- 6.908e-04 4.808e-04 -3.161 -3.318 -0.157 25.91
CO3-2 1.547e-05 2.181e-06 -4.810 -5.661 -0.851 -1.35
@ -412,11 +412,11 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.801 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 70415
Specific Conductance (µS/cm, 25°C) = 73477
Density (g/cm³) = 1.03527
Volume (L) = 0.35767
Activity of water = 0.972
Ionic strength = 1.065e+00
Ionic strength (mol/kgw) = 1.065e+00
Mass of water (kg) = 3.514e-01
Total alkalinity (eq/kg) = 6.131e-04
Total CO2 (mol/kg) = 5.884e-04
@ -440,7 +440,7 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
H+ 1.804e-08 1.582e-08 -7.744 -7.801 -0.057 0.00
H2O 5.551e+01 9.722e-01 1.744 -0.012 0.000 18.07
Br 1.252e-03
Br- 1.252e-03 7.919e-04 -2.902 -3.101 -0.199 25.47
Br- 1.252e-03 7.919e-04 -2.902 -3.101 -0.199 25.39
C(4) 5.884e-04
HCO3- 5.487e-04 3.012e-04 -3.261 -3.521 -0.260 27.45
CO3-2 1.542e-05 8.715e-07 -4.812 -6.060 -1.248 0.62
@ -570,11 +570,11 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.745 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 82815
Specific Conductance (µS/cm, 25°C) = 87888
Density (g/cm³) = 1.04464
Volume (L) = 0.28547
Activity of water = 0.965
Ionic strength = 1.340e+00
Ionic strength (mol/kgw) = 1.340e+00
Mass of water (kg) = 2.794e-01
Total alkalinity (eq/kg) = 5.752e-04
Total CO2 (mol/kg) = 5.498e-04
@ -598,7 +598,7 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
H+ 1.911e-08 1.797e-08 -7.719 -7.745 -0.027 0.00
H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.07
Br 1.575e-03
Br- 1.575e-03 9.887e-04 -2.803 -3.005 -0.202 25.56
Br- 1.575e-03 9.887e-04 -2.803 -3.005 -0.202 25.48
C(4) 5.498e-04
HCO3- 5.102e-04 2.631e-04 -3.292 -3.580 -0.288 28.02
MgCO3 1.551e-05 1.551e-05 -4.809 -4.809 0.000 -17.09
@ -728,11 +728,11 @@ Polyhalite -5.94 -19.68 -13.74 0.000e+00 0 0.000e+00
pH = 7.663 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 102858
Specific Conductance (µS/cm, 25°C) = 109691
Density (g/cm³) = 1.06016
Volume (L) = 0.21331
Activity of water = 0.952
Ionic strength = 1.805e+00
Ionic strength (mol/kgw) = 1.805e+00
Mass of water (kg) = 2.073e-01
Total alkalinity (eq/kg) = 5.197e-04
Total CO2 (mol/kg) = 4.931e-04
@ -756,7 +756,7 @@ Polyhalite -5.94 -19.68 -13.74 0.000e+00 0 0.000e+00
H+ 2.030e-08 2.175e-08 -7.692 -7.663 0.030 0.00
H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.07
Br 2.123e-03
Br- 2.123e-03 1.333e-03 -2.673 -2.875 -0.202 25.67
Br- 2.123e-03 1.333e-03 -2.673 -2.875 -0.202 25.61
C(4) 4.931e-04
HCO3- 4.540e-04 2.145e-04 -3.343 -3.669 -0.326 28.97
MgCO3 1.611e-05 1.611e-05 -4.793 -4.793 0.000 -17.09
@ -886,11 +886,11 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
pH = 7.547 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 148781
Specific Conductance (µS/cm, 25°C) = 146607
Density (g/cm³) = 1.09019
Volume (L) = 0.14120
Activity of water = 0.923
Ionic strength = 2.742e+00
Ionic strength (mol/kgw) = 2.742e+00
Mass of water (kg) = 1.352e-01
Total alkalinity (eq/kg) = 4.684e-04
Total CO2 (mol/kg) = 4.341e-04
@ -914,7 +914,7 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
H+ 1.960e-08 2.839e-08 -7.708 -7.547 0.161 0.00
H2O 5.551e+01 9.228e-01 1.744 -0.035 0.000 18.07
Br 3.255e-03
Br- 3.255e-03 2.105e-03 -2.487 -2.677 -0.189 25.84
Br- 3.255e-03 2.105e-03 -2.487 -2.677 -0.189 25.81
C(4) 4.341e-04
HCO3- 3.915e-04 1.593e-04 -3.407 -3.798 -0.390 30.81
MgCO3 2.054e-05 2.054e-05 -4.687 -4.687 0.000 -17.09
@ -1044,11 +1044,11 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.526 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 174599
Specific Conductance (µS/cm, 25°C) = 160317
Density (g/cm³) = 1.10238
Volume (L) = 0.12317
Activity of water = 0.909
Ionic strength = 3.136e+00
Ionic strength (mol/kgw) = 3.136e+00
Mass of water (kg) = 1.172e-01
Total alkalinity (eq/kg) = 4.824e-04
Total CO2 (mol/kg) = 4.392e-04
@ -1072,7 +1072,7 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
H+ 1.785e-08 2.982e-08 -7.748 -7.526 0.223 0.00
H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07
Br 3.757e-03
Br- 3.757e-03 2.478e-03 -2.425 -2.606 -0.181 25.90
Br- 3.757e-03 2.478e-03 -2.425 -2.606 -0.181 25.87
C(4) 4.392e-04
HCO3- 3.905e-04 1.495e-04 -3.408 -3.825 -0.417 31.57
MgCO3 2.576e-05 2.576e-05 -4.589 -4.589 0.000 -17.09
@ -1202,11 +1202,11 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
pH = 7.498 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 219625
Specific Conductance (µS/cm, 25°C) = 177034
Density (g/cm³) = 1.11851
Volume (L) = 0.10515
Activity of water = 0.890
Ionic strength = 3.673e+00
Ionic strength (mol/kgw) = 3.673e+00
Mass of water (kg) = 9.912e-02
Total alkalinity (eq/kg) = 5.057e-04
Total CO2 (mol/kg) = 4.478e-04
@ -1230,7 +1230,7 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
H+ 1.558e-08 3.177e-08 -7.808 -7.498 0.310 0.00
H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07
Br 4.440e-03
Br- 4.440e-03 3.024e-03 -2.353 -2.519 -0.167 25.97
Br- 4.440e-03 3.024e-03 -2.353 -2.519 -0.167 25.96
C(4) 4.478e-04
HCO3- 3.888e-04 1.373e-04 -3.410 -3.862 -0.452 32.59
MgCO3 3.493e-05 3.493e-05 -4.457 -4.457 0.000 -17.09
@ -1360,11 +1360,11 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
pH = 7.460 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 286771
Specific Conductance (µS/cm, 25°C) = 197772
Density (g/cm³) = 1.14090
Volume (L) = 0.08716
Activity of water = 0.861
Ionic strength = 4.446e+00
Ionic strength (mol/kgw) = 4.446e+00
Mass of water (kg) = 8.107e-02
Total alkalinity (eq/kg) = 5.543e-04
Total CO2 (mol/kg) = 4.660e-04
@ -1388,7 +1388,7 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
H+ 1.261e-08 3.463e-08 -7.899 -7.460 0.439 0.00
H2O 5.551e+01 8.609e-01 1.744 -0.065 0.000 18.07
Br 5.429e-03
Br- 5.429e-03 3.898e-03 -2.265 -2.409 -0.144 26.05
Br- 5.429e-03 3.898e-03 -2.265 -2.409 -0.144 26.06
C(4) 4.660e-04
HCO3- 3.864e-04 1.218e-04 -3.413 -3.914 -0.501 34.06
MgCO3 5.416e-05 5.416e-05 -4.266 -4.266 0.000 -17.09
@ -1518,11 +1518,11 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
pH = 7.406 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 361821
Specific Conductance (µS/cm, 25°C) = 223801
Density (g/cm³) = 1.17419
Volume (L) = 0.06922
Activity of water = 0.811
Ionic strength = 5.663e+00
Ionic strength (mol/kgw) = 5.663e+00
Mass of water (kg) = 6.302e-02
Total alkalinity (eq/kg) = 6.945e-04
Total CO2 (mol/kg) = 5.203e-04
@ -1546,7 +1546,7 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
H+ 8.812e-09 3.925e-08 -8.055 -7.406 0.649 0.00
H2O 5.551e+01 8.113e-01 1.744 -0.091 0.000 18.07
Br 6.984e-03
Br- 6.984e-03 5.510e-03 -2.156 -2.259 -0.103 26.15
Br- 6.984e-03 5.510e-03 -2.156 -2.259 -0.103 26.19
C(4) 5.203e-04
HCO3- 3.848e-04 1.013e-04 -3.415 -3.994 -0.580 36.32
MgCO3 1.086e-04 1.086e-04 -3.964 -3.964 0.000 -17.09
@ -1649,7 +1649,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.09 -4.34 -4.25 0.000e+00 0 0.000e+00
Bischofite -3.53 1.06 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 6.103e-06
Calcite 0.00 -8.50 -8.50 3.582e-04 3.549e-04 -3.293e-06
Calcite -0.00 -8.50 -8.50 3.582e-04 3.549e-04 -3.293e-06
Carnallite -3.79 0.64 4.42 0.000e+00 0 0.000e+00
Epsomite -1.40 -3.25 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 0.000e+00 1.745e-03 1.745e-03
@ -1676,11 +1676,11 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
pH = 7.311 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 469791
Specific Conductance (µS/cm, 25°C) = 248441
Density (g/cm³) = 1.21416
Volume (L) = 0.05088
Activity of water = 0.739
Ionic strength = 7.301e+00
Ionic strength (mol/kgw) = 7.301e+00
Mass of water (kg) = 4.504e-02
Total alkalinity (eq/kg) = 1.118e-03
Total CO2 (mol/kg) = 6.655e-04
@ -1704,7 +1704,7 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
H+ 5.540e-09 4.885e-08 -8.257 -7.311 0.945 0.00
H2O 5.551e+01 7.390e-01 1.744 -0.131 0.000 18.07
Br 9.771e-03
Br- 9.771e-03 8.918e-03 -2.010 -2.050 -0.040 26.24
Br- 9.771e-03 8.918e-03 -2.010 -2.050 -0.040 26.32
C(4) 6.655e-04
HCO3- 3.670e-04 7.416e-05 -3.435 -4.130 -0.694 39.34
MgCO3 2.722e-04 2.722e-04 -3.565 -3.565 0.000 -17.09
@ -1738,7 +1738,7 @@ S(6) 1.916e-01
Bloedite -1.52 -3.87 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.09 -12.97 -10.88 Mg(OH)2
Burkeite -6.43 -7.20 -0.77 Na6CO3(SO4)2
Calcite 0.00 -8.50 -8.50 CaCO3
Calcite -0.00 -8.50 -8.50 CaCO3
Carnallite -3.79 0.64 4.42 KMgCl3:6H2O
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 2.09 -14.99 -17.08 CaMg(CO3)2
@ -1834,11 +1834,11 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
pH = 7.316 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 486920
Specific Conductance (µS/cm, 25°C) = 235893
Density (g/cm³) = 1.21994
Volume (L) = 0.03051
Activity of water = 0.729
Ionic strength = 7.901e+00
Ionic strength (mol/kgw) = 7.901e+00
Mass of water (kg) = 2.709e-02
Total alkalinity (eq/kg) = 2.003e-03
Total CO2 (mol/kg) = 1.061e-03
@ -1862,7 +1862,7 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
H+ 4.797e-09 4.827e-08 -8.319 -7.316 1.003 0.00
H2O 5.551e+01 7.292e-01 1.744 -0.137 0.000 18.07
Br 1.624e-02
Br- 1.624e-02 1.601e-02 -1.789 -1.796 -0.006 26.26
Br- 1.624e-02 1.601e-02 -1.789 -1.796 -0.006 26.36
C(4) 1.061e-03
MgCO3 5.839e-04 5.839e-04 -3.234 -3.234 0.000 -17.09
HCO3- 4.288e-04 7.406e-05 -3.368 -4.130 -0.763 40.43
@ -1968,7 +1968,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 9.663e-07
Calcite 0.00 -8.50 -8.50 3.529e-04 3.505e-04 -2.377e-06
Carnallite -2.98 1.45 4.42 0.000e+00 0 0.000e+00
Epsomite -0.98 -2.83 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 3.818e-03 4.237e-03 4.189e-04
Glauberite 0.00 -5.35 -5.35 3.818e-03 4.237e-03 4.189e-04
Gypsum 0.00 -4.60 -4.60 1.370e-03 1.025e-03 -3.451e-04
Halite 0.00 1.58 1.58 1.278e-01 1.545e-01 2.675e-02
Hexahydrite -1.12 -2.68 -1.57 0.000e+00 0 0.000e+00
@ -1992,11 +1992,11 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
pH = 7.319 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 497715
Specific Conductance (µS/cm, 25°C) = 229901
Density (g/cm³) = 1.22333
Volume (L) = 0.02541
Activity of water = 0.724
Ionic strength = 8.219e+00
Ionic strength (mol/kgw) = 8.219e+00
Mass of water (kg) = 2.260e-02
Total alkalinity (eq/kg) = 2.611e-03
Total CO2 (mol/kg) = 1.334e-03
@ -2020,7 +2020,7 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
H+ 4.429e-09 4.797e-08 -8.354 -7.319 1.035 0.00
H2O 5.551e+01 7.235e-01 1.744 -0.141 0.000 18.07
Br 1.947e-02
Br- 1.947e-02 1.992e-02 -1.711 -1.701 0.010 26.27
Br- 1.947e-02 1.992e-02 -1.711 -1.701 0.010 26.38
C(4) 1.334e-03
MgCO3 8.030e-04 8.030e-04 -3.095 -3.095 0.000 -17.09
HCO3- 4.658e-04 7.394e-05 -3.332 -4.131 -0.799 41.01
@ -2061,7 +2061,7 @@ S(6) 2.554e-01
Epsomite -0.98 -2.83 -1.85 MgSO4:7H2O
Gaylussite -5.00 -14.42 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.19 -6.99 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.31 -26.06 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
@ -2122,8 +2122,8 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.06 -4.31 -4.25 0.000e+00 0 0.000e+00
Bischofite -2.90 1.69 4.59 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.189e-06
Calcite 0.00 -8.50 -8.50 3.505e-04 3.454e-04 -5.139e-06
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.190e-06
Calcite 0.00 -8.50 -8.50 3.505e-04 3.454e-04 -5.140e-06
Carnallite -2.67 1.76 4.42 0.000e+00 0 0.000e+00
Epsomite -0.81 -2.66 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 4.237e-03 4.528e-03 2.916e-04
@ -2150,19 +2150,19 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
pH = 7.323 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 516696
Density (g/cm³) = 1.22913
Specific Conductance (µS/cm, 25°C) = 221228
Density (g/cm³) = 1.22912
Volume (L) = 0.02033
Activity of water = 0.714
Ionic strength = 8.724e+00
Ionic strength (mol/kgw) = 8.724e+00
Mass of water (kg) = 1.810e-02
Total alkalinity (eq/kg) = 3.827e-03
Total CO2 (mol/kg) = 1.883e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.359e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.95
Iterations = 52
Gamma iterations = 8
Iterations = 10
Gamma iterations = 4
Osmotic coefficient = 1.57491
Density of water = 0.99704
Total H = 2.009900e+00
@ -2178,7 +2178,7 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
H+ 3.887e-09 4.751e-08 -8.410 -7.323 1.087 0.00
H2O 5.551e+01 7.138e-01 1.744 -0.146 0.000 18.07
Br 2.431e-02
Br- 2.431e-02 2.628e-02 -1.614 -1.580 0.034 26.29
Br- 2.431e-02 2.628e-02 -1.614 -1.580 0.034 26.41
C(4) 1.883e-03
MgCO3 1.249e-03 1.249e-03 -2.903 -2.903 0.000 -17.09
HCO3- 5.316e-04 7.365e-05 -3.274 -4.133 -0.858 41.94
@ -2308,11 +2308,11 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
pH = 7.328 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 538790
Specific Conductance (µS/cm, 25°C) = 212314
Density (g/cm³) = 1.23648
Volume (L) = 0.01675
Activity of water = 0.702
Ionic strength = 9.307e+00
Ionic strength (mol/kgw) = 9.307e+00
Mass of water (kg) = 1.493e-02
Total alkalinity (eq/kg) = 5.709e-03
Total CO2 (mol/kg) = 2.740e-03
@ -2336,7 +2336,7 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
H+ 3.328e-09 4.704e-08 -8.478 -7.328 1.150 0.00
H2O 5.551e+01 7.019e-01 1.744 -0.154 0.000 18.07
Br 2.947e-02
Br- 2.947e-02 3.381e-02 -1.531 -1.471 0.060 26.31
Br- 2.947e-02 3.381e-02 -1.531 -1.471 0.060 26.44
C(4) 2.740e-03
MgCO3 1.953e-03 1.953e-03 -2.709 -2.709 0.000 -17.09
HCO3- 6.205e-04 7.314e-05 -3.207 -4.136 -0.929 42.99
@ -2466,11 +2466,11 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 547992
Density (g/cm³) = 1.23954
Specific Conductance (µS/cm, 25°C) = 209114
Density (g/cm³) = 1.23953
Volume (L) = 0.01574
Activity of water = 0.697
Ionic strength = 9.535e+00
Ionic strength (mol/kgw) = 9.535e+00
Mass of water (kg) = 1.403e-02
Total alkalinity (eq/kg) = 6.608e-03
Total CO2 (mol/kg) = 3.151e-03
@ -2494,7 +2494,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
H+ 3.129e-09 4.687e-08 -8.505 -7.329 1.176 0.00
H2O 5.551e+01 6.970e-01 1.744 -0.157 0.000 18.07
Br 3.137e-02
Br- 3.137e-02 3.679e-02 -1.503 -1.434 0.069 26.31
Br- 3.137e-02 3.679e-02 -1.503 -1.434 0.069 26.45
C(4) 3.151e-03
MgCO3 2.294e-03 2.294e-03 -2.639 -2.639 0.000 -17.09
HCO3- 6.595e-04 7.289e-05 -3.181 -4.137 -0.957 43.39
@ -2601,7 +2601,7 @@ Calcite 0.00 -8.50 -8.50 3.337e-04 3.288e-04 -4.891e-06
Carnallite -2.14 2.29 4.42 0.000e+00 0 0.000e+00
Epsomite -0.54 -2.39 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 4.516e-03 4.436e-03 -7.966e-05
Gypsum 0.00 -4.60 -4.60 8.929e-04 9.901e-04 9.726e-05
Gypsum 0.00 -4.60 -4.60 8.929e-04 9.902e-04 9.726e-05
Halite 0.00 1.58 1.58 2.051e-01 2.103e-01 5.263e-03
Hexahydrite -0.66 -2.23 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.16 -1.43 -0.27 0.000e+00 0 0.000e+00
@ -2624,11 +2624,11 @@ Polyhalite -0.07 -13.82 -13.74 0.000e+00 0 0.000e+00
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 559274
Density (g/cm³) = 1.24324
Specific Conductance (µS/cm, 25°C) = 205505
Density (g/cm³) = 1.24323
Volume (L) = 0.01472
Activity of water = 0.691
Ionic strength = 9.804e+00
Ionic strength (mol/kgw) = 9.804e+00
Mass of water (kg) = 1.313e-02
Total alkalinity (eq/kg) = 7.809e-03
Total CO2 (mol/kg) = 3.703e-03
@ -2652,7 +2652,7 @@ Polyhalite -0.07 -13.82 -13.74 0.000e+00 0 0.000e+00
H+ 2.908e-09 4.669e-08 -8.536 -7.331 1.206 0.00
H2O 5.551e+01 6.911e-01 1.744 -0.160 0.000 18.07
Br 3.353e-02
Br- 3.353e-02 4.033e-02 -1.475 -1.394 0.080 26.32
Br- 3.353e-02 4.033e-02 -1.475 -1.394 0.080 26.46
C(4) 3.703e-03
MgCO3 2.753e-03 2.753e-03 -2.560 -2.560 0.000 -17.09
HCO3- 7.092e-04 7.256e-05 -3.149 -4.139 -0.990 43.88
@ -2758,12 +2758,12 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.336e-07
Calcite 0.00 -8.50 -8.50 3.288e-04 3.241e-04 -4.656e-06
Carnallite -2.07 2.35 4.42 0.000e+00 0 0.000e+00
Epsomite -0.48 -2.33 -1.85 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.35 -5.35 4.436e-03 3.876e-03 -5.604e-04
Gypsum -0.00 -4.60 -4.60 9.901e-04 1.015e-03 2.437e-05
Glauberite 0.00 -5.35 -5.35 4.436e-03 3.876e-03 -5.604e-04
Gypsum 0.00 -4.60 -4.60 9.902e-04 1.015e-03 2.437e-05
Halite 0.00 1.58 1.58 2.103e-01 2.160e-01 5.650e-03
Hexahydrite -0.60 -2.17 -1.57 0.000e+00 0 0.000e+00
Kieserite -1.08 -1.35 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.00 -13.74 -13.74 0.000e+00 2.761e-04 2.761e-04
Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.761e-04 2.761e-04
-----------------------------Solution composition------------------------------
@ -2782,11 +2782,11 @@ Polyhalite -0.00 -13.74 -13.74 0.000e+00 2.761e-04 2.761e-04
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 567780
Density (g/cm³) = 1.24628
Specific Conductance (µS/cm, 25°C) = 200893
Density (g/cm³) = 1.24627
Volume (L) = 0.01369
Activity of water = 0.686
Ionic strength = 1.005e+01
Ionic strength (mol/kgw) = 1.005e+01
Mass of water (kg) = 1.221e-02
Total alkalinity (eq/kg) = 9.154e-03
Total CO2 (mol/kg) = 4.325e-03
@ -2810,7 +2810,7 @@ Polyhalite -0.00 -13.74 -13.74 0.000e+00 2.761e-04 2.761e-04
H+ 2.724e-09 4.668e-08 -8.565 -7.331 1.234 0.00
H2O 5.551e+01 6.858e-01 1.744 -0.164 0.000 18.07
Br 3.603e-02
Br- 3.603e-02 4.433e-02 -1.443 -1.353 0.090 26.32
Br- 3.603e-02 4.433e-02 -1.443 -1.353 0.090 26.47
C(4) 4.325e-03
MgCO3 3.270e-03 3.270e-03 -2.485 -2.485 0.000 -17.09
HCO3- 7.609e-04 7.202e-05 -3.119 -4.143 -1.024 44.32
@ -2851,9 +2851,9 @@ S(6) 4.421e-01
Epsomite -0.48 -2.33 -1.85 MgSO4:7H2O
Gaylussite -5.21 -14.63 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.26 -6.07 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.15 -25.21 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.67 -0.16 1.50 H2O
Halite 0.00 1.58 1.58 NaCl
Hexahydrite -0.60 -2.17 -1.57 MgSO4:6H2O
@ -2874,7 +2874,7 @@ S(6) 4.421e-01
Nesquehonite -0.74 -5.90 -5.17 MgCO3:3H2O
Pentahydrite -0.72 -2.00 -1.28 MgSO4:5H2O
Pirssonite -4.90 -14.13 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.82 -15.01 -5.19 Ca(OH)2
Schoenite -1.53 -5.85 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.62 0.28 0.90 KCl
@ -2916,7 +2916,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.151e-07
Calcite 0.00 -8.50 -8.50 3.241e-04 3.190e-04 -5.120e-06
Carnallite -2.05 2.38 4.42 0.000e+00 0 0.000e+00
Epsomite -0.42 -2.27 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 3.876e-03 3.045e-03 -8.309e-04
Glauberite -0.00 -5.35 -5.35 3.876e-03 3.045e-03 -8.309e-04
Gypsum 0.00 -4.60 -4.60 1.015e-03 1.009e-03 -5.479e-06
Halite 0.00 1.58 1.58 2.160e-01 2.218e-01 5.862e-03
Hexahydrite -0.54 -2.10 -1.57 0.000e+00 0 0.000e+00
@ -2940,11 +2940,11 @@ Polyhalite 0.00 -13.74 -13.74 2.761e-04 7.023e-04 4.262e-04
pH = 7.330 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 575204
Density (g/cm³) = 1.24919
Specific Conductance (µS/cm, 25°C) = 195304
Density (g/cm³) = 1.24918
Volume (L) = 0.01264
Activity of water = 0.680
Ionic strength = 1.029e+01
Ionic strength (mol/kgw) = 1.029e+01
Mass of water (kg) = 1.130e-02
Total alkalinity (eq/kg) = 1.080e-02
Total CO2 (mol/kg) = 5.092e-03
@ -2968,7 +2968,7 @@ Polyhalite 0.00 -13.74 -13.74 2.761e-04 7.023e-04 4.262e-04
H+ 2.552e-09 4.678e-08 -8.593 -7.330 1.263 0.00
H2O 5.551e+01 6.804e-01 1.744 -0.167 0.000 18.07
Br 3.895e-02
Br- 3.895e-02 4.901e-02 -1.409 -1.310 0.100 26.33
Br- 3.895e-02 4.901e-02 -1.409 -1.310 0.100 26.49
C(4) 5.092e-03
MgCO3 3.906e-03 3.906e-03 -2.408 -2.408 0.000 -17.09
HCO3- 8.199e-04 7.129e-05 -3.086 -4.147 -1.061 44.76
@ -3009,7 +3009,7 @@ S(6) 4.746e-01
Epsomite -0.42 -2.27 -1.85 MgSO4:7H2O
Gaylussite -5.24 -14.66 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.40 -6.21 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.09 -25.27 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.67 -0.17 1.50 H2O
@ -3098,11 +3098,11 @@ Polyhalite 0.00 -13.74 -13.74 7.023e-04 9.440e-04 2.417e-04
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 581065
Density (g/cm³) = 1.25142
Specific Conductance (µS/cm, 25°C) = 191562
Density (g/cm³) = 1.25141
Volume (L) = 0.01201
Activity of water = 0.676
Ionic strength = 1.047e+01
Ionic strength (mol/kgw) = 1.047e+01
Mass of water (kg) = 1.075e-02
Total alkalinity (eq/kg) = 1.212e-02
Total CO2 (mol/kg) = 5.708e-03
@ -3126,7 +3126,7 @@ Polyhalite 0.00 -13.74 -13.74 7.023e-04 9.440e-04 2.417e-04
H+ 2.434e-09 4.686e-08 -8.614 -7.329 1.284 0.00
H2O 5.551e+01 6.764e-01 1.744 -0.170 0.000 18.07
Br 4.095e-02
Br- 4.095e-02 5.233e-02 -1.388 -1.281 0.107 26.33
Br- 4.095e-02 5.233e-02 -1.388 -1.281 0.107 26.49
C(4) 5.708e-03
MgCO3 4.418e-03 4.418e-03 -2.355 -2.355 0.000 -17.09
HCO3- 8.652e-04 7.076e-05 -3.063 -4.150 -1.087 45.09
@ -3232,7 +3232,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 3.579e-07
Calcite 0.00 -8.50 -8.50 3.149e-04 3.096e-04 -5.250e-06
Carnallite -2.01 2.42 4.42 0.000e+00 0 0.000e+00
Epsomite -0.34 -2.19 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 2.548e-03 2.049e-03 -4.992e-04
Glauberite -0.00 -5.35 -5.35 2.548e-03 2.049e-03 -4.992e-04
Gypsum 0.00 -4.60 -4.60 1.033e-03 1.085e-03 5.149e-05
Halite 0.00 1.58 1.58 2.253e-01 2.288e-01 3.484e-03
Hexahydrite -0.45 -2.01 -1.57 0.000e+00 0 0.000e+00
@ -3256,11 +3256,11 @@ Polyhalite 0.00 -13.74 -13.74 9.440e-04 1.174e-03 2.296e-04
pH = 7.329 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 588368
Density (g/cm³) = 1.25414
Specific Conductance (µS/cm, 25°C) = 187477
Density (g/cm³) = 1.25413
Volume (L) = 0.01139
Activity of water = 0.672
Ionic strength = 1.068e+01
Ionic strength (mol/kgw) = 1.068e+01
Mass of water (kg) = 1.020e-02
Total alkalinity (eq/kg) = 1.381e-02
Total CO2 (mol/kg) = 6.496e-03
@ -3284,7 +3284,7 @@ Polyhalite 0.00 -13.74 -13.74 9.440e-04 1.174e-03 2.296e-04
H+ 2.303e-09 4.693e-08 -8.638 -7.329 1.309 0.00
H2O 5.551e+01 6.717e-01 1.744 -0.173 0.000 18.07
Br 4.316e-02
Br- 4.316e-02 5.613e-02 -1.365 -1.251 0.114 26.33
Br- 4.316e-02 5.613e-02 -1.365 -1.251 0.114 26.50
C(4) 6.496e-03
MgCO3 5.074e-03 5.074e-03 -2.295 -2.295 0.000 -17.09
HCO3- 9.208e-04 7.015e-05 -3.036 -4.154 -1.118 45.46
@ -3325,7 +3325,7 @@ S(6) 5.289e-01
Epsomite -0.34 -2.19 -1.85 MgSO4:7H2O
Gaylussite -5.29 -14.71 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.61 -6.42 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 4.01 -25.36 -29.37 K2Ca5(SO4)6H2O
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2O(g) -1.68 -0.17 1.50 H2O
@ -3395,7 +3395,7 @@ Gypsum -0.00 -4.60 -4.60 1.085e-03 0 -1.085e-03
Halite 0.00 1.58 1.58 2.288e-01 2.321e-01 3.242e-03
Hexahydrite -0.39 -1.96 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.81 -1.08 -0.27 0.000e+00 0 0.000e+00
Polyhalite -0.00 -13.74 -13.74 1.174e-03 1.371e-03 1.973e-04
Polyhalite 0.00 -13.74 -13.74 1.174e-03 1.371e-03 1.973e-04
-----------------------------Solution composition------------------------------
@ -3414,11 +3414,11 @@ Polyhalite -0.00 -13.74 -13.74 1.174e-03 1.371e-03 1.973e-04
pH = 7.331 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 596920
Density (g/cm³) = 1.25742
Specific Conductance (µS/cm, 25°C) = 183236
Density (g/cm³) = 1.25741
Volume (L) = 0.01081
Activity of water = 0.666
Ionic strength = 1.091e+01
Ionic strength (mol/kgw) = 1.091e+01
Mass of water (kg) = 9.689e-03
Total alkalinity (eq/kg) = 1.599e-02
Total CO2 (mol/kg) = 7.523e-03
@ -3442,7 +3442,7 @@ Polyhalite -0.00 -13.74 -13.74 1.174e-03 1.371e-03 1.973e-04
H+ 2.157e-09 4.669e-08 -8.666 -7.331 1.335 0.00
H2O 5.551e+01 6.665e-01 1.744 -0.176 0.000 18.07
Br 4.542e-02
Br- 4.542e-02 6.020e-02 -1.343 -1.220 0.122 26.34
Br- 4.542e-02 6.020e-02 -1.343 -1.220 0.122 26.51
C(4) 7.523e-03
MgCO3 5.931e-03 5.931e-03 -2.227 -2.227 0.000 -17.09
HCO3- 9.926e-04 6.997e-05 -3.003 -4.155 -1.152 45.86
@ -3506,7 +3506,7 @@ S(6) 5.659e-01
Nesquehonite -0.52 -5.68 -5.17 MgCO3:3H2O
Pentahydrite -0.50 -1.79 -1.28 MgSO4:5H2O
Pirssonite -4.97 -14.20 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.83 -15.02 -5.19 Ca(OH)2
Schoenite -1.62 -5.95 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.76 0.14 0.90 KCl
@ -3548,12 +3548,12 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 5.666e-07
Calcite 0.00 -8.50 -8.50 3.026e-04 2.912e-04 -1.140e-05
Carnallite -1.96 2.46 4.42 0.000e+00 0 0.000e+00
Epsomite -0.23 -2.08 -1.85 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.35 -5.35 1.552e-03 9.538e-04 -5.985e-04
Glauberite -0.00 -5.35 -5.35 1.552e-03 9.538e-04 -5.985e-04
Gypsum -0.01 -4.61 -4.60 0.000e+00 0 0.000e+00
Halite 0.00 1.58 1.58 2.321e-01 2.356e-01 3.547e-03
Hexahydrite -0.33 -1.90 -1.57 0.000e+00 0 0.000e+00
Kieserite -0.73 -1.00 -0.27 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.371e-03 1.565e-03 1.942e-04
Polyhalite -0.00 -13.74 -13.74 1.371e-03 1.565e-03 1.942e-04
-----------------------------Solution composition------------------------------
@ -3572,11 +3572,11 @@ Polyhalite 0.00 -13.74 -13.74 1.371e-03 1.565e-03 1.942e-04
pH = 7.338 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 608724
Density (g/cm³) = 1.26202
Specific Conductance (µS/cm, 25°C) = 178009
Density (g/cm³) = 1.26201
Volume (L) = 0.01020
Activity of water = 0.660
Ionic strength = 1.122e+01
Ionic strength (mol/kgw) = 1.122e+01
Mass of water (kg) = 9.142e-03
Total alkalinity (eq/kg) = 1.944e-02
Total CO2 (mol/kg) = 9.159e-03
@ -3600,7 +3600,7 @@ Polyhalite 0.00 -13.74 -13.74 1.371e-03 1.565e-03 1.942e-04
H+ 1.967e-09 4.592e-08 -8.706 -7.338 1.368 0.00
H2O 5.551e+01 6.599e-01 1.744 -0.181 0.000 18.07
Br 4.814e-02
Br- 4.814e-02 6.534e-02 -1.317 -1.185 0.133 26.34
Br- 4.814e-02 6.534e-02 -1.317 -1.185 0.133 26.52
C(4) 9.159e-03
MgCO3 7.298e-03 7.298e-03 -2.137 -2.137 0.000 -17.09
HCO3- 1.105e-03 7.044e-05 -2.957 -4.152 -1.195 46.42
@ -3641,7 +3641,7 @@ S(6) 6.208e-01
Epsomite -0.23 -2.08 -1.85 MgSO4:7H2O
Gaylussite -5.33 -14.75 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.85 -6.65 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
Goergeyite 3.87 -25.50 -29.37 K2Ca5(SO4)6H2O
Gypsum -0.01 -4.61 -4.60 CaSO4:2H2O
H2O(g) -1.68 -0.18 1.50 H2O
@ -3664,7 +3664,7 @@ S(6) 6.208e-01
Nesquehonite -0.44 -5.61 -5.17 MgCO3:3H2O
Pentahydrite -0.43 -1.72 -1.28 MgSO4:5H2O
Pirssonite -4.98 -14.21 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.83 -15.02 -5.19 Ca(OH)2
Schoenite -1.64 -5.96 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.80 0.10 0.90 KCl
@ -3730,11 +3730,11 @@ Polyhalite 0.00 -13.74 -13.74 1.565e-03 1.742e-03 1.768e-04
pH = 7.347 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 623856
Density (g/cm³) = 1.26784
Specific Conductance (µS/cm, 25°C) = 172130
Density (g/cm³) = 1.26782
Volume (L) = 0.00958
Activity of water = 0.652
Ionic strength = 1.159e+01
Ionic strength (mol/kgw) = 1.159e+01
Mass of water (kg) = 8.595e-03
Total alkalinity (eq/kg) = 2.434e-02
Total CO2 (mol/kg) = 1.149e-02
@ -3758,7 +3758,7 @@ Polyhalite 0.00 -13.74 -13.74 1.565e-03 1.742e-03 1.768e-04
H+ 1.763e-09 4.503e-08 -8.754 -7.347 1.407 0.00
H2O 5.551e+01 6.520e-01 1.744 -0.186 0.000 18.07
Br 5.121e-02
Br- 5.121e-02 7.146e-02 -1.291 -1.146 0.145 26.34
Br- 5.121e-02 7.146e-02 -1.291 -1.146 0.145 26.54
C(4) 1.149e-02
MgCO3 9.255e-03 9.255e-03 -2.034 -2.034 0.000 -17.09
HCO3- 1.256e-03 7.098e-05 -2.901 -4.149 -1.248 47.08

14
ex18.out
View File

@ -117,11 +117,11 @@ Initial solution 1. Recharge number 3
pH = 7.550
pe = 0.000
Specific Conductance (µS/cm, 9°C) = 271
Specific Conductance (µS/cm, 10°C) = 270
Density (g/cm³) = 0.99999
Volume (L) = 1.00035
Activity of water = 1.000
Ionic strength = 6.547e-03
Ionic strength (mol/kgw) = 6.547e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.016e-03
Total CO2 (mol/kg) = 4.300e-03
@ -213,7 +213,7 @@ S(6) 1.600e-04
CH2O -33.73 -33.73 0.00 CH2O
CO2(g) -2.26 -3.53 -1.27 CO2
Dolomite -0.27 -16.99 -16.72 CaMg(CO3)2
Gypsum -2.50 -7.09 -4.59 CaSO4:2H2O
Gypsum -2.49 -7.09 -4.60 CaSO4:2H2O
H2(g) -15.13 -18.18 -3.05 H2
H2O(g) -1.91 -0.00 1.91 H2O
Halite -11.03 -9.47 1.56 NaCl
@ -245,11 +245,11 @@ Initial solution 2. Mysse
pH = 6.610
pe = 0.000
Specific Conductance (µS/cm, 63°C) = 10050
Specific Conductance (µS/cm, 63°C) = 9945
Density (g/cm³) = 0.98524
Volume (L) = 1.01938
Activity of water = 0.999
Ionic strength = 7.403e-02
Ionic strength (mol/kgw) = 7.403e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.262e-03
Total CO2 (mol/kg) = 6.870e-03
@ -356,7 +356,7 @@ S(6) 1.986e-02
CO2(g) -0.94 -2.74 -1.80 CO2
Dolomite 0.38 -17.49 -17.87 CaMg(CO3)2
FeS(ppt) -1.03 -4.94 -3.92 FeS
Gypsum -0.15 -4.82 -4.67 CaSO4:2H2O
Gypsum -0.16 -4.82 -4.66 CaSO4:2H2O
H2(g) -6.08 -9.22 -3.14 H2
H2O(g) -0.65 -0.00 0.65 H2O
H2S(g) -2.62 -10.55 -7.94 H2S
@ -561,6 +561,6 @@ Reading input data for simulation 2.
------------------------------------
-------------------------------
End of Run after 0.031 Seconds.
End of Run after 0.041 Seconds.
-------------------------------

2
ex19.out
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@ -69,6 +69,6 @@ Reading input data for simulation 1.
PRINT
reset false
-------------------------------
End of Run after 0.028 Seconds.
End of Run after 0.015 Seconds.
-------------------------------

2268
ex2.out
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File diff suppressed because it is too large Load Diff

102
ex2.sel
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@ -1,53 +1,53 @@
sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
1 react 1 -99 0 1 7.06615 10.7444 25.000 -0.3030 0.0000
1 react 1 -99 0 2 7.05248 10.6761 26.000 -0.2923 0.0000
1 react 1 -99 0 3 7.03891 10.6076 27.000 -0.2815 0.0000
1 react 1 -99 0 4 7.02545 10.5387 28.000 -0.2709 0.0000
1 react 1 -99 0 5 7.0121 10.4716 29.000 -0.2602 0.0000
1 react 1 -99 0 6 6.99887 10.4047 30.000 -0.2496 0.0000
1 react 1 -99 0 7 6.98575 10.3381 31.000 -0.2391 0.0000
1 react 1 -99 0 8 6.97276 10.2717 32.000 -0.2286 0.0000
1 react 1 -99 0 9 6.95989 10.2052 33.000 -0.2181 0.0000
1 react 1 -99 0 10 6.94715 10.1401 34.000 -0.2076 0.0000
1 react 1 -99 0 11 6.93455 10.0748 35.000 -0.1972 0.0000
1 react 1 -99 0 12 6.92207 10.0102 36.000 -0.1868 0.0000
1 react 1 -99 0 13 6.90973 9.94519 37.000 -0.1765 0.0000
1 react 1 -99 0 14 6.89753 9.88058 38.000 -0.1662 0.0000
1 react 1 -99 0 15 6.88547 9.85009 39.000 -0.1559 0.0000
1 react 1 -99 0 16 6.87354 9.76116 40.000 -0.1457 0.0000
1 react 1 -99 0 17 6.86176 9.6906 41.000 -0.1355 0.0000
1 react 1 -99 0 18 6.85012 9.62813 42.000 -0.1254 0.0000
1 react 1 -99 0 19 6.83862 9.56556 43.000 -0.1152 0.0000
1 react 1 -99 0 20 6.82726 9.50342 44.000 -0.1052 0.0000
1 react 1 -99 0 21 6.81604 9.44248 45.000 -0.0951 0.0000
1 react 1 -99 0 22 6.80497 9.38018 46.000 -0.0851 0.0000
1 react 1 -99 0 23 6.79404 9.34925 47.000 -0.0751 0.0000
1 react 1 -99 0 24 6.78325 9.25886 48.000 -0.0651 0.0000
1 react 1 -99 0 25 6.77261 9.19866 49.000 -0.0552 0.0000
1 react 1 -99 0 26 6.76211 9.13797 50.000 -0.0453 0.0000
1 react 1 -99 0 27 6.75175 -1.64615 51.000 -0.0355 0.0000
1 react 1 -99 0 28 6.74153 9.01794 52.000 -0.0257 0.0000
1 react 1 -99 0 29 6.73146 -1.62949 53.000 -0.0159 0.0000
1 react 1 -99 0 30 6.72153 -1.62139 54.000 -0.0061 0.0000
1 react 1 -99 0 31 6.71125 8.83234 55.000 0.0000 -0.0036
1 react 1 -99 0 32 6.70039 8.77494 56.000 0.0000 -0.0133
1 react 1 -99 0 33 6.68965 8.71809 57.000 0.0000 -0.0229
1 react 1 -99 0 34 6.67903 8.66158 58.000 0.0000 -0.0325
1 react 1 -99 0 35 6.66853 8.60457 59.000 0.0000 -0.0421
1 react 1 -99 0 36 6.65815 8.57975 60.000 0.0000 -0.0517
1 react 1 -99 0 37 6.64789 8.49237 61.000 0.0000 -0.0612
1 react 1 -99 0 38 6.63774 8.43709 62.000 0.0000 -0.0707
1 react 1 -99 0 39 6.62771 8.383 63.000 0.0000 -0.0802
1 react 1 -99 0 40 6.6178 8.32843 64.000 0.0000 -0.0896
1 react 1 -99 0 41 6.608 8.27305 65.000 0.0000 -0.0990
1 react 1 -99 0 42 6.59833 8.21827 66.000 0.0000 -0.1084
1 react 1 -99 0 43 6.58876 8.16445 67.000 0.0000 -0.1177
1 react 1 -99 0 44 6.57931 8.10999 68.000 0.0000 -0.1270
1 react 1 -99 0 45 6.56998 8.05632 69.000 0.0000 -0.1363
1 react 1 -99 0 46 6.56075 8.00286 70.000 0.0000 -0.1456
1 react 1 -99 0 47 6.55165 7.94969 71.000 0.0000 -0.1548
1 react 1 -99 0 48 6.54265 7.8954 72.000 0.0000 -0.1640
1 react 1 -99 0 49 6.53376 7.84243 73.000 0.0000 -0.1732
1 react 1 -99 0 50 6.52499 7.79045 74.000 0.0000 -0.1823
1 react 1 -99 0 51 6.51633 7.73771 75.000 0.0000 -0.1914
1 react 1 -99 0 1 7.06605 10.7446 25.000 -0.3045 0.0000
1 react 1 -99 0 2 7.0524 10.6757 26.000 -0.2935 0.0000
1 react 1 -99 0 3 7.03885 10.6076 27.000 -0.2825 0.0000
1 react 1 -99 0 4 7.0254 10.5389 28.000 -0.2716 0.0000
1 react 1 -99 0 5 7.01206 10.472 29.000 -0.2608 0.0000
1 react 1 -99 0 6 6.99884 10.4047 30.000 -0.2500 0.0000
1 react 1 -99 0 7 6.98574 10.3381 31.000 -0.2392 0.0000
1 react 1 -99 0 8 6.97276 10.2711 32.000 -0.2285 0.0000
1 react 1 -99 0 9 6.95991 10.2057 33.000 -0.2179 0.0000
1 react 1 -99 0 10 6.94718 10.1398 34.000 -0.2073 0.0000
1 react 1 -99 0 11 6.93459 10.0744 35.000 -0.1967 0.0000
1 react 1 -99 0 12 6.92213 10.0095 36.000 -0.1862 0.0000
1 react 1 -99 0 13 6.90981 -1.77748 37.000 -0.1757 0.0000
1 react 1 -99 0 14 6.89762 9.88087 38.000 -0.1653 0.0000
1 react 1 -99 0 15 6.88557 9.8475 39.000 -0.1549 0.0000
1 react 1 -99 0 16 6.87366 9.75454 40.000 -0.1445 0.0000
1 react 1 -99 0 17 6.86189 9.6907 41.000 -0.1342 0.0000
1 react 1 -99 0 18 6.85026 9.62805 42.000 -0.1239 0.0000
1 react 1 -99 0 19 6.83878 9.56563 43.000 -0.1137 0.0000
1 react 1 -99 0 20 6.82743 9.50339 44.000 -0.1035 0.0000
1 react 1 -99 0 21 6.81623 9.44156 45.000 -0.0934 0.0000
1 react 1 -99 0 22 6.80517 9.38019 46.000 -0.0833 0.0000
1 react 1 -99 0 23 6.79425 9.31898 47.000 -0.0732 0.0000
1 react 1 -99 0 24 6.78347 9.25713 48.000 -0.0632 0.0000
1 react 1 -99 0 25 6.77284 9.19657 49.000 -0.0532 0.0000
1 react 1 -99 0 26 6.76235 -1.65496 50.000 -0.0432 0.0000
1 react 1 -99 0 27 6.752 9.07753 51.000 -0.0333 0.0000
1 react 1 -99 0 28 6.7418 9.04685 52.000 -0.0234 0.0000
1 react 1 -99 0 29 6.73173 8.9571 53.000 -0.0136 0.0000
1 react 1 -99 0 30 6.72181 -1.62168 54.000 -0.0038 0.0000
1 react 1 -99 0 31 6.71125 8.83248 55.000 0.0000 -0.0060
1 react 1 -99 0 32 6.70039 8.7747 56.000 0.0000 -0.0157
1 react 1 -99 0 33 6.68965 8.71845 57.000 0.0000 -0.0254
1 react 1 -99 0 34 6.67903 8.69145 58.000 0.0000 -0.0350
1 react 1 -99 0 35 6.66853 8.63516 59.000 0.0000 -0.0446
1 react 1 -99 0 36 6.65815 8.54826 60.000 0.0000 -0.0542
1 react 1 -99 0 37 6.64789 8.4935 61.000 0.0000 -0.0638
1 react 1 -99 0 38 6.63774 8.43727 62.000 0.0000 -0.0733
1 react 1 -99 0 39 6.62771 8.38286 63.000 0.0000 -0.0828
1 react 1 -99 0 40 6.6178 8.32762 64.000 0.0000 -0.0922
1 react 1 -99 0 41 6.608 8.2729 65.000 0.0000 -0.1016
1 react 1 -99 0 42 6.59833 8.21794 66.000 0.0000 -0.1110
1 react 1 -99 0 43 6.58876 8.16425 67.000 0.0000 -0.1204
1 react 1 -99 0 44 6.57931 8.10992 68.000 0.0000 -0.1297
1 react 1 -99 0 45 6.56998 8.05651 69.000 0.0000 -0.1390
1 react 1 -99 0 46 6.56075 8.00299 70.000 0.0000 -0.1483
1 react 1 -99 0 47 6.55165 7.94963 71.000 0.0000 -0.1575
1 react 1 -99 0 48 6.54265 7.89527 72.000 0.0000 -0.1667
1 react 1 -99 0 49 6.53376 7.84251 73.000 0.0000 -0.1758
1 react 1 -99 0 50 6.52499 7.79021 74.000 0.0000 -0.1850
1 react 1 -99 0 51 6.51633 7.73768 75.000 0.0000 -0.1941

88
ex20a.out
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@ -79,7 +79,7 @@ Initial solution 1.
pH = 8.200
pe = 4.000
Activity of water = 1.000
Ionic strength = 2.294e-03
Ionic strength (mol/kgw) = 2.294e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.998e-03
Total CO2 (mol/kg) = 2.000e-03
@ -226,7 +226,7 @@ Calcite 2.54e-07
R(18O) OH- 1.93086e-03 -37.072 permil
R(D) H3O+ 1.62250e-04 41.665 permil
R(18O) H3O+ 2.05157e-03 23.123 permil
R(D) H2(aq) 1.55760e-04 1.1381e-05 permil
R(D) H2(aq) 1.55760e-04 1.138e-05 permil
R(13C) CO2(aq) 1.10852e-02 -8.4965 permil
R(18O) CO2(aq) 2.08959e-03 42.084 permil
R(D) HCO3- 1.55760e-04 1.1383e-05 permil
@ -249,15 +249,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
Alpha D H2(aq)/H2O(l) 1 5.107e-12 0
Alpha D H2(aq)/H2O(l) 1 -3.3307e-12 0
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
Alpha D HCO3-/H2O(l) 1 2.2544e-09 0
Alpha 18O HCO3-/H2O(l) 1 -1.9984e-12 0
Alpha D HCO3-/H2O(l) 1 2.254e-09 0
Alpha 18O HCO3-/H2O(l) 1 -2.1094e-12 0
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
Alpha 18O CO3-2/H2O(l) 1 -1.568e-09 0
Alpha 18O CO3-2/H2O(l) 1 -1.5682e-09 0
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
Alpha D CH4(aq)/H2O(l) 1 -3.7471e-09 0
Alpha 13C CH4(aq)/CO2(aq) 1 -3.5527e-12 0
Alpha D CH4(aq)/H2O(l) 1 -3.7478e-09 0
Alpha 13C CH4(aq)/CO2(aq) 1 -6.2172e-12 0
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
@ -275,16 +275,16 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
----------------------------Description of solution----------------------------
pH = 8.199 Charge balance
pe = -2.397 Adjusted to redox equilibrium
pe = -2.402 Adjusted to redox equilibrium
Activity of water = 0.998
Ionic strength = 2.301e-03
Ionic strength (mol/kgw) = 2.301e-03
Mass of water (kg) = 9.968e-01
Total alkalinity (eq/kg) = 2.004e-03
Total CO2 (mol/kg) = 1.984e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 1.667e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 32
Iterations = 28
Total H = 1.109971e+02
Total O = 5.540110e+01
@ -296,9 +296,9 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 0.00
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
C(-4) 2.538e-27
CH4 2.537e-27 2.538e-27 -26.596 -26.595 0.000 (0)
CH3D 1.581e-30 1.581e-30 -29.801 -29.801 0.000 (0)
C(-4) 2.764e-27
CH4 2.763e-27 2.764e-27 -26.559 -26.558 0.000 (0)
CH3D 1.721e-30 1.722e-30 -29.764 -29.764 0.000 (0)
C(4) 1.984e-03
HCO3- 1.916e-03 1.817e-03 -2.718 -2.741 -0.023 (0)
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
@ -336,17 +336,17 @@ Ca 3.098e-04
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
D(0) 5.530e-19
HD 5.529e-19 5.532e-19 -18.257 -18.257 0.000 (0)
D2 4.306e-23 4.308e-23 -22.366 -22.366 0.000 (0)
D(0) 5.649e-19
HD 5.648e-19 5.651e-19 -18.248 -18.248 0.000 (0)
D2 4.399e-23 4.401e-23 -22.357 -22.356 0.000 (0)
D(1) 1.734e-02
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
H(0) 3.551e-15
H2 1.775e-15 1.776e-15 -14.751 -14.751 0.000 (0)
HD 5.529e-19 5.532e-19 -18.257 -18.257 0.000 (0)
H(0) 3.627e-15
H2 1.813e-15 1.814e-15 -14.742 -14.741 0.000 (0)
HD 5.648e-19 5.651e-19 -18.248 -18.248 0.000 (0)
Na 1.385e-03
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
@ -358,11 +358,11 @@ Na 1.385e-03
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.881 -62.881 0.000 (0)
O[18O] 0.000e+00 0.000e+00 -65.278 -65.278 0.000 (0)
[13C](-4) 2.814e-29
[13C]H4 2.812e-29 2.814e-29 -28.551 -28.551 0.000 (0)
[13C]H3D 1.752e-32 1.753e-32 -31.756 -31.756 0.000 (0)
O2 0.000e+00 0.000e+00 -62.900 -62.899 0.000 (0)
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
[13C](-4) 3.064e-29
[13C]H4 3.062e-29 3.064e-29 -28.514 -28.514 0.000 (0)
[13C]H3D 1.908e-32 1.909e-32 -31.719 -31.719 0.000 (0)
[13C](4) 2.218e-05
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
[13C]O2 2.878e-07 2.880e-07 -6.541 -6.541 0.000 (0)
@ -395,22 +395,22 @@ O(0) 0.000e+00
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
[18O](0) 0.000e+00
O[18O] 0.000e+00 0.000e+00 -65.278 -65.278 0.000 (0)
[18O]2 0.000e+00 0.000e+00 -68.277 -68.276 0.000 (0)
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
[18O]2 0.000e+00 0.000e+00 -68.295 -68.295 0.000 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
[13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2
[13C]D4(g) -40.92 -43.78 -2.86 [13C]D4
[13C]H2D2(g) -32.53 -36.17 -3.64 [13C]H2D2
[13C]H3D(g) -28.90 -32.36 -3.46 [13C]H3D
[13C]H4(g) -25.69 -28.55 -2.86 [13C]H4
[13C]HD3(g) -36.51 -39.97 -3.46 [13C]HD3
[13C]D4(g) -40.88 -43.74 -2.86 [13C]D4
[13C]H2D2(g) -32.49 -36.13 -3.64 [13C]H2D2
[13C]H3D(g) -28.86 -32.32 -3.46 [13C]H3D
[13C]H4(g) -25.65 -28.51 -2.86 [13C]H4
[13C]HD3(g) -36.47 -39.94 -3.46 [13C]HD3
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
[18O]2(g) -65.99 -68.28 -2.29 [18O]2
[18O]2(g) -66.00 -68.29 -2.29 [18O]2
C[18O]2(g) -8.48 -9.98 -1.50 C[18O]2
Ca[13C][18O]3(s) -10.01 -1.86 8.16 Ca[13C][18O]3
Ca[13C]O2[18O](s) -4.17 3.54 7.71 Ca[13C]O2[18O]
@ -420,24 +420,24 @@ O(0) 0.000e+00
CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O]
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
Calcite -0.01 -8.49 -8.48 CaCO3
CD4(g) -38.97 -41.83 -2.86 CD4
CH2D2(g) -30.57 -34.21 -3.64 CH2D2
CH3D(g) -26.94 -30.40 -3.46 CH3D
CH4(g) -23.74 -26.60 -2.86 CH4
CHD3(g) -34.56 -38.02 -3.46 CHD3
CD4(g) -38.93 -41.79 -2.86 CD4
CH2D2(g) -30.54 -34.17 -3.64 CH2D2
CH3D(g) -26.90 -30.37 -3.46 CH3D
CH4(g) -23.70 -26.56 -2.86 CH4
CHD3(g) -34.52 -37.98 -3.46 CHD3
CO2(g) -3.12 -4.59 -1.47 CO2
CO[18O](g) -5.50 -7.28 -1.79 CO[18O]
D2(g) -19.22 -22.37 -3.15 D2
D2(g) -19.21 -22.36 -3.15 D2
D2[18O](g) -11.89 -10.31 1.58 D2[18O]
D2O(g) -9.19 -7.62 1.58 D2O
H2(g) -11.60 -14.75 -3.15 H2
H2(g) -11.59 -14.74 -3.15 H2
H2[18O](g) -4.21 -2.70 1.51 H2[18O]
H2O(g) -1.51 -0.00 1.51 H2O
HD(g) -15.11 -18.56 -3.45 HD
HD(g) -15.10 -18.55 -3.45 HD
HD[18O](g) -7.75 -6.51 1.25 HD[18O]
HDO(g) -5.05 -3.81 1.24 HDO
O2(g) -59.99 -62.88 -2.89 O2
O[18O](g) -62.69 -65.58 -2.89 O[18O]
O2(g) -60.01 -62.90 -2.89 O2
O[18O](g) -62.70 -65.60 -2.89 O[18O]
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
@ -451,6 +451,6 @@ Reading input data for simulation 4.
------------------------------------
-------------------------------
End of Run after 0.093 Seconds.
End of Run after 0.078 Seconds.
-------------------------------

9908
ex20b.out
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66
ex21.out
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@ -107,11 +107,11 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 123
Specific Conductance (µS/cm, 25°C) = 123
Density (g/cm³) = 0.99708
Volume (L) = 1.00298
Activity of water = 1.000
Ionic strength = 1.000e-03
Ionic strength (mol/kgw) = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.451e-09
Total carbon (mol/kg) = 0.000e+00
@ -435,11 +435,11 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
pH = 7.600
pe = 13.120 Equilibrium with O2(g)
Specific Conductance (µS/cm, 23°C) = 29840
Specific Conductance (µS/cm, 23°C) = 28919
Density (g/cm³) = 1.01167
Volume (L) = 0.20147
Activity of water = 0.990
Ionic strength = 3.658e-01
Ionic strength (mol/kgw) = 3.658e-01
Mass of water (kg) = 2.000e-01
Total carbon (mol/kg) = 4.787e-04
Total CO2 (mol/kg) = 4.787e-04
@ -527,7 +527,7 @@ Sr 5.050e-04
Celestite 0.03 -6.62 -6.65 SrSO4
CO2(g) -3.36 -4.80 -1.44 CO2
Dolomite -0.11 -17.15 -17.04 CaMg(CO3)2
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
Gypsum -0.33 -4.92 -4.58 CaSO4:2H2O
H2(g) -41.48 -44.58 -3.10 H2
H2O(g) -1.56 -0.00 1.55 H2O
Halite -3.03 -1.46 1.57 NaCl
@ -908,6 +908,7 @@ Reading input data for simulation 3.
USER_GRAPH 1 Example 21
WARNING: No cell-lengths were read; length = 1 m assumed.
WARNING: No dispersivities were read; disp = 0 assumed.
WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
-chart_title " Hto Diffusion to Outer Cell"
-plot_tsv_file ex21_Hto_rad.tsv
-axis_scale x_axis 0 20
@ -921,11 +922,60 @@ WARNING: No dispersivities were read; disp = 0 assumed.
60 put(a, 2)
70 plot_xy days, equi("A_Hto"), y_axis = 2, color = Red, symbol = None
END
WARNING: Maximum iterations exceeded, 100
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying smaller step size, pe step size 10, 5 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying reduced tolerance 1e-14 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying increased tolerance 1e-12 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying diagonal scaling ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying diagonal scaling and reduced tolerance 1e-14 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying scaling pure_phase columns 1e-10 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying scaling pure_phase columns and diagonal scale 1e-10 ...
WARNING: Maximum iterations exceeded, 200
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying delay removal of equilibrium phases 1 ...
TRANSPORT
shifts 0
punch_frequency 2
punch_cells 3-17
USER_GRAPH 1
WARNING: No porosities were read; used the value 1.59e-01 from -multi_D.
-detach
USER_GRAPH 5 Example 21
-chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"
@ -961,7 +1011,7 @@ WARNING: No dispersivities were read; disp = 0 assumed.
400 put(xval, 14)
END
END
-------------------------------
End of Run after 8.537 Seconds.
-------------------------------
-----------------------------
End of Run after 8.9 Seconds.
-----------------------------

914
ex22.out
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File diff suppressed because it is too large Load Diff

2
ex2b.out
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@ -24,6 +24,6 @@ Reading input data for simulation 1.
PRINT
reset false
-------------------------------
End of Run after 0.015 Seconds.
End of Run after 0.021 Seconds.
-------------------------------

24
ex3.out
View File

@ -50,11 +50,11 @@ Initial solution 1. Pure water
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.007e-07
Ionic strength (mol/kgw) = 1.007e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Total carbon (mol/kg) = 0.000e+00
@ -118,11 +118,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
pH = 7.297 Charge balance
pe = -1.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 305
Specific Conductance (µS/cm, 25°C) = 299
Density (g/cm³) = 0.99726
Volume (L) = 1.00300
Activity of water = 1.000
Ionic strength = 4.826e-03
Ionic strength (mol/kgw) = 4.826e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.291e-03
Total CO2 (mol/kg) = 3.622e-03
@ -228,11 +228,11 @@ Initial solution 2. Seawater
pH = 8.220
pe = 8.451
Specific Conductance (µS/cm, 25°C) = 53155
Specific Conductance (µS/cm, 25°C) = 52630
Density (g/cm³) = 1.02323
Volume (L) = 1.01282
Activity of water = 0.981
Ionic strength = 6.747e-01
Ionic strength (mol/kgw) = 6.747e-01
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.182e-03
Total CO2 (mol/kg) = 2.182e-03
@ -379,11 +379,11 @@ Mixture 1.
pH = 7.349 Charge balance
pe = -1.871 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18707
Specific Conductance (µS/cm, 25°C) = 18383
Density (g/cm³) = 1.00525
Volume (L) = 1.00580
Activity of water = 0.994
Ionic strength = 2.088e-01
Ionic strength (mol/kgw) = 2.088e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.026e-03
Total CO2 (mol/kg) = 3.190e-03
@ -543,11 +543,11 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.884e-03
pH = 7.055 Charge balance
pe = -1.748 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18757
Specific Conductance (µS/cm, 25°C) = 18465
Density (g/cm³) = 1.00533
Volume (L) = 1.00583
Activity of water = 0.994
Ionic strength = 2.091e-01
Ionic strength (mol/kgw) = 2.091e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.705e-03
Total CO2 (mol/kg) = 3.029e-03
@ -705,11 +705,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.968e-05
pH = 7.440 Charge balance
pe = -2.133 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18711
Specific Conductance (µS/cm, 25°C) = 18387
Density (g/cm³) = 1.00525
Volume (L) = 1.00580
Activity of water = 0.994
Ionic strength = 2.089e-01
Ionic strength (mol/kgw) = 2.089e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.105e-03
Total CO2 (mol/kg) = 3.229e-03

22
ex4.out
View File

@ -68,11 +68,11 @@ Initial solution 1. Precipitation from Central Oklahoma
pH = 4.500
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 17
Specific Conductance (µS/cm, 25°C) = 17
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 8.839e-05
Ionic strength (mol/kgw) = 8.839e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.091e-05
@ -212,11 +212,11 @@ Reaction 1.
pH = 3.148 Charge balance
pe = 16.529 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 342
Specific Conductance (µS/cm, 25°C) = 345
Density (g/cm³) = 0.99709
Volume (L) = 0.05017
Activity of water = 1.000
Ionic strength = 1.531e-03
Ionic strength (mol/kgw) = 1.531e-03
Mass of water (kg) = 5.002e-02
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.182e-04
@ -310,7 +310,7 @@ S(6) 2.706e-04
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -125.76 -133.75 -7.99 H2S
@ -372,11 +372,11 @@ Mixture 1.
pH = 3.148 Charge balance
pe = 16.529 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 342
Specific Conductance (µS/cm, 25°C) = 345
Density (g/cm³) = 0.99709
Volume (L) = 1.00332
Activity of water = 1.000
Ionic strength = 1.531e-03
Ionic strength (mol/kgw) = 1.531e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.182e-04
@ -470,7 +470,7 @@ S(6) 2.706e-04
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -125.76 -133.75 -7.99 H2S
@ -492,7 +492,7 @@ End of simulation.
Reading input data for simulation 3.
------------------------------------
-------------------------------
End of Run after 0.015 Seconds.
-------------------------------
---------------------------
End of Run after 0 Seconds.
---------------------------

204
ex5.out
View File

@ -72,11 +72,11 @@ Initial solution 1. PURE WATER
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.007e-07
Ionic strength (mol/kgw) = 1.007e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Total carbon (mol/kg) = 0.000e+00
@ -162,11 +162,11 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.144e-08
pH = 8.279 Charge balance
pe = -4.943 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 96
Specific Conductance (µS/cm, 25°C) = 94
Density (g/cm³) = 0.99711
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.463e-03
Ionic strength (mol/kgw) = 1.463e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.867e-04
Total CO2 (mol/kg) = 9.803e-04
@ -321,11 +321,11 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
pH = 8.170 Charge balance
pe = -4.286 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 257
Specific Conductance (µS/cm, 25°C) = 254
Density (g/cm³) = 0.99719
Volume (L) = 1.00298
Activity of water = 1.000
Ionic strength = 3.608e-03
Ionic strength (mol/kgw) = 3.608e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.872e-04
Total CO2 (mol/kg) = 7.844e-04
@ -500,11 +500,11 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
pH = 7.980 Charge balance
pe = -3.966 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 862
Specific Conductance (µS/cm, 25°C) = 863
Density (g/cm³) = 0.99755
Volume (L) = 1.00300
Activity of water = 1.000
Ionic strength = 1.225e-02
Ionic strength (mol/kgw) = 1.225e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.387e-04
Total CO2 (mol/kg) = 5.395e-04
@ -661,7 +661,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.107e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.558e-03
Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03
Gypsum -0.64 -5.22 -4.58 0.000e+00 0 0.000e+00
Gypsum -0.63 -5.22 -4.58 0.000e+00 0 0.000e+00
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
-----------------------------Solution composition------------------------------
@ -679,11 +679,11 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
pH = 7.881 Charge balance
pe = -3.812 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1544
Specific Conductance (µS/cm, 25°C) = 1562
Density (g/cm³) = 0.99801
Volume (L) = 1.00303
Activity of water = 1.000
Ionic strength = 2.254e-02
Ionic strength (mol/kgw) = 2.254e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.491e-04
Total CO2 (mol/kg) = 4.510e-04
@ -794,7 +794,7 @@ S(6) 5.333e-03
Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3
FeS(ppt) -5.42 -9.33 -3.92 FeS
Goethite 0.00 -1.00 -1.00 FeOOH
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
Gypsum -0.63 -5.22 -4.58 CaSO4:2H2O
H2(g) -8.19 -11.29 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -9.29 -17.28 -7.99 H2S
@ -841,7 +841,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.002e+01 1.582e-02
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.617e-02
Goethite 0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03
Gypsum -0.01 -4.59 -4.58 0.000e+00 0 0.000e+00
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
-----------------------------Solution composition------------------------------
@ -858,11 +858,11 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03
pH = 7.725 Charge balance
pe = -3.573 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3920
Specific Conductance (µS/cm, 25°C) = 4056
Density (g/cm³) = 0.99985
Volume (L) = 1.00316
Activity of water = 0.999
Ionic strength = 6.087e-02
Ionic strength (mol/kgw) = 6.087e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 3.478e-04
Total CO2 (mol/kg) = 3.506e-04
@ -982,7 +982,7 @@ S(6) 1.600e-02
Mackinawite -4.81 -9.46 -4.65 FeS
Melanterite -7.69 -9.90 -2.21 FeSO4:7H2O
O2(g) -66.58 -69.47 -2.89 O2
Pyrite 0.00 -18.48 -18.48 FeS2
Pyrite -0.00 -18.48 -18.48 FeS2
Siderite -2.89 -13.78 -10.89 FeCO3
Sulfur -6.96 -2.08 4.88 S
@ -1018,127 +1018,127 @@ Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.649e-02
Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02
Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02
Gypsum 0.00 -4.58 -4.58 0.000e+00 9.549e-03 9.549e-03
Pyrite 0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
Goethite 0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02
Gypsum 0.00 -4.58 -4.58 0.000e+00 9.591e-03 9.591e-03
Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.525e-04 3.523e-04
Ca 1.730e-02 1.729e-02
C 3.527e-04 3.526e-04
Ca 1.726e-02 1.725e-02
Cl 2.501e-02 2.500e-02
Fe 8.738e-08 8.734e-08
Fe 8.721e-08 8.717e-08
Na 2.501e-02 2.500e-02
S 1.713e-02 1.712e-02
S 1.708e-02 1.708e-02
----------------------------Description of solution----------------------------
pH = 7.719 Charge balance
pH = 7.720 Charge balance
pe = -3.566 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 5109
Specific Conductance (µS/cm, 25°C) = 5259
Density (g/cm³) = 1.00041
Volume (L) = 1.00294
Activity of water = 0.999
Ionic strength = 7.439e-02
Ionic strength (mol/kgw) = 7.428e-02
Mass of water (kg) = 9.995e-01
Total alkalinity (eq/kg) = 3.498e-04
Total CO2 (mol/kg) = 3.525e-04
Total alkalinity (eq/kg) = 3.501e-04
Total CO2 (mol/kg) = 3.527e-04
Temperature (°C) = 25.00
Electrical balance (eq) = -1.165e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
Total H = 1.109609e+02
Total O = 5.554980e+01
Total H = 1.109607e+02
Total O = 5.554955e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 6.760e-07 5.297e-07 -6.170 -6.276 -0.106 -3.80
H+ 2.278e-08 1.908e-08 -7.642 -7.719 -0.077 0.00
OH- 6.765e-07 5.302e-07 -6.170 -6.276 -0.106 -3.80
H+ 2.276e-08 1.907e-08 -7.643 -7.720 -0.077 0.00
H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07
C(-4) 1.534e-14
CH4 1.534e-14 1.561e-14 -13.814 -13.807 0.007 35.46
C(4) 3.525e-04
HCO3- 3.108e-04 2.505e-04 -3.507 -3.601 -0.094 25.08
CaHCO3+ 2.118e-05 1.720e-05 -4.674 -4.765 -0.090 9.82
C(-4) 1.540e-14
CH4 1.540e-14 1.566e-14 -13.813 -13.805 0.007 35.46
C(4) 3.527e-04
HCO3- 3.110e-04 2.507e-04 -3.507 -3.601 -0.094 25.08
CaHCO3+ 2.116e-05 1.718e-05 -4.674 -4.765 -0.090 9.82
CO2 1.058e-05 1.076e-05 -4.976 -4.968 0.007 34.43
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 -14.60
NaHCO3 2.711e-06 2.758e-06 -5.567 -5.559 0.007 1.80
CO3-2 1.460e-06 6.156e-07 -5.836 -6.211 -0.375 -4.33
NaCO3- 2.812e-07 2.245e-07 -6.551 -6.649 -0.098 -0.46
FeHCO3+ 8.421e-10 6.721e-10 -9.075 -9.173 -0.098 (0)
FeCO3 3.895e-10 3.962e-10 -9.409 -9.402 0.007 (0)
NaHCO3 2.714e-06 2.761e-06 -5.566 -5.559 0.007 1.80
CO3-2 1.462e-06 6.166e-07 -5.835 -6.210 -0.375 -4.33
NaCO3- 2.817e-07 2.249e-07 -6.550 -6.648 -0.098 -0.46
FeHCO3+ 8.417e-10 6.718e-10 -9.075 -9.173 -0.098 (0)
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0)
(CO2)2 2.089e-12 2.125e-12 -11.680 -11.673 0.007 68.87
Ca 1.730e-02
Ca+2 1.267e-02 5.381e-03 -1.897 -2.269 -0.372 -17.52
CaSO4 4.601e-03 4.680e-03 -2.337 -2.330 0.007 7.50
CaHCO3+ 2.118e-05 1.720e-05 -4.674 -4.765 -0.090 9.82
Ca 1.726e-02
Ca+2 1.265e-02 5.372e-03 -1.898 -2.270 -0.372 -17.52
CaSO4 4.585e-03 4.664e-03 -2.339 -2.331 0.007 7.50
CaHCO3+ 2.116e-05 1.718e-05 -4.674 -4.765 -0.090 9.82
CaCO3 5.470e-06 5.565e-06 -5.262 -5.255 0.007 -14.60
CaOH+ 5.856e-08 4.674e-08 -7.232 -7.330 -0.098 (0)
CaHSO4+ 7.355e-10 5.870e-10 -9.133 -9.231 -0.098 (0)
CaOH+ 5.850e-08 4.670e-08 -7.233 -7.331 -0.098 (0)
CaHSO4+ 7.323e-10 5.846e-10 -9.135 -9.233 -0.098 (0)
Cl 2.501e-02
Cl- 2.501e-02 1.970e-02 -1.602 -1.706 -0.104 18.30
FeCl+ 9.142e-10 7.297e-10 -9.039 -9.137 -0.098 (0)
FeCl+2 1.004e-24 4.145e-25 -23.998 -24.383 -0.384 (0)
FeCl2+ 4.550e-26 3.647e-26 -25.342 -25.438 -0.096 (0)
FeCl3 7.062e-29 7.184e-29 -28.151 -28.144 0.007 (0)
Fe(2) 8.738e-08
Fe+2 6.174e-08 2.683e-08 -7.209 -7.571 -0.362 -21.54
FeSO4 2.294e-08 2.334e-08 -7.639 -7.632 0.007 18.97
FeCl+ 9.142e-10 7.297e-10 -9.039 -9.137 -0.098 (0)
FeHCO3+ 8.421e-10 6.721e-10 -9.075 -9.173 -0.098 (0)
FeOH+ 5.540e-10 4.441e-10 -9.256 -9.353 -0.096 (0)
FeCO3 3.895e-10 3.962e-10 -9.409 -9.402 0.007 (0)
Fe(OH)2 1.945e-13 1.978e-13 -12.711 -12.704 0.007 (0)
FeHSO4+ 3.667e-15 2.927e-15 -14.436 -14.534 -0.098 (0)
Fe(OH)3- 4.799e-16 3.846e-16 -15.319 -15.415 -0.096 (0)
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.836 0.007 (0)
Fe(HS)3- 4.907e-26 3.917e-26 -25.309 -25.407 -0.098 (0)
FeCl+ 9.131e-10 7.289e-10 -9.039 -9.137 -0.098 (0)
FeCl+2 1.001e-24 4.135e-25 -23.999 -24.384 -0.384 (0)
FeCl2+ 4.539e-26 3.639e-26 -25.343 -25.439 -0.096 (0)
FeCl3 7.047e-29 7.169e-29 -28.152 -28.145 0.007 (0)
Fe(2) 8.721e-08
Fe+2 6.164e-08 2.680e-08 -7.210 -7.572 -0.362 -21.54
FeSO4 2.287e-08 2.327e-08 -7.641 -7.633 0.007 18.97
FeCl+ 9.131e-10 7.289e-10 -9.039 -9.137 -0.098 (0)
FeHCO3+ 8.417e-10 6.718e-10 -9.075 -9.173 -0.098 (0)
FeOH+ 5.538e-10 4.439e-10 -9.257 -9.353 -0.096 (0)
FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0)
Fe(OH)2 1.945e-13 1.979e-13 -12.711 -12.704 0.007 (0)
FeHSO4+ 3.653e-15 2.916e-15 -14.437 -14.535 -0.098 (0)
Fe(OH)3- 4.804e-16 3.851e-16 -15.318 -15.414 -0.096 (0)
Fe(HS)2 1.434e-18 1.459e-18 -17.844 -17.836 0.007 (0)
Fe(HS)3- 4.917e-26 3.925e-26 -25.308 -25.406 -0.098 (0)
Fe(3) 3.373e-14
Fe(OH)3 2.704e-14 2.751e-14 -13.568 -13.561 0.007 (0)
Fe(OH)2+ 5.063e-15 4.080e-15 -14.296 -14.389 -0.094 (0)
Fe(OH)4- 1.629e-15 1.313e-15 -14.788 -14.882 -0.094 (0)
FeOH+2 5.703e-19 2.354e-19 -18.244 -18.628 -0.384 (0)
FeSO4+ 4.661e-23 3.736e-23 -22.332 -22.428 -0.096 (0)
Fe(SO4)2- 5.008e-24 3.997e-24 -23.300 -23.398 -0.098 (0)
Fe+3 3.437e-24 6.967e-25 -23.464 -24.157 -0.693 (0)
FeCl+2 1.004e-24 4.145e-25 -23.998 -24.383 -0.384 (0)
FeCl2+ 4.550e-26 3.647e-26 -25.342 -25.438 -0.096 (0)
FeCl3 7.062e-29 7.184e-29 -28.151 -28.144 0.007 (0)
FeHSO4+2 4.704e-30 1.909e-30 -29.328 -29.719 -0.392 (0)
Fe2(OH)2+4 5.499e-35 1.492e-36 -34.260 -35.826 -1.567 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.448 -47.896 -2.448 (0)
H(0) 6.857e-12
H2 3.428e-12 3.488e-12 -11.465 -11.457 0.007 28.61
Fe(OH)2+ 5.058e-15 4.076e-15 -14.296 -14.390 -0.094 (0)
Fe(OH)4- 1.630e-15 1.314e-15 -14.788 -14.881 -0.094 (0)
FeOH+2 5.691e-19 2.350e-19 -18.245 -18.629 -0.384 (0)
FeSO4+ 4.641e-23 3.720e-23 -22.333 -22.429 -0.096 (0)
Fe(SO4)2- 4.978e-24 3.974e-24 -23.303 -23.401 -0.098 (0)
Fe+3 3.426e-24 6.949e-25 -23.465 -24.158 -0.693 (0)
FeCl+2 1.001e-24 4.135e-25 -23.999 -24.384 -0.384 (0)
FeCl2+ 4.539e-26 3.639e-26 -25.343 -25.439 -0.096 (0)
FeCl3 7.047e-29 7.169e-29 -28.152 -28.145 0.007 (0)
FeHSO4+2 4.678e-30 1.899e-30 -29.330 -29.721 -0.391 (0)
Fe2(OH)2+4 5.471e-35 1.487e-36 -34.262 -35.828 -1.566 (0)
Fe3(OH)4+5 0.000e+00 0.000e+00 -45.451 -47.898 -2.447 (0)
H(0) 6.863e-12
H2 3.431e-12 3.491e-12 -11.465 -11.457 0.007 28.61
Na 2.501e-02
Na+ 2.441e-02 1.958e-02 -1.612 -1.708 -0.096 -1.15
NaSO4- 5.956e-04 4.800e-04 -3.225 -3.319 -0.094 15.90
NaHCO3 2.711e-06 2.758e-06 -5.567 -5.559 0.007 1.80
NaCO3- 2.812e-07 2.245e-07 -6.551 -6.649 -0.098 -0.46
NaOH 1.020e-18 1.037e-18 -17.992 -17.984 0.007 (0)
NaSO4- 5.946e-04 4.792e-04 -3.226 -3.319 -0.094 15.90
NaHCO3 2.714e-06 2.761e-06 -5.566 -5.559 0.007 1.80
NaCO3- 2.817e-07 2.249e-07 -6.550 -6.648 -0.098 -0.46
NaOH 1.021e-18 1.038e-18 -17.991 -17.984 0.007 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -69.474 -69.466 0.007 30.40
S(-2) 3.555e-10
HS- 3.150e-10 2.468e-10 -9.502 -9.608 -0.106 20.83
H2S 4.048e-11 4.118e-11 -10.393 -10.385 0.007 37.16
S-2 3.785e-15 1.562e-15 -14.422 -14.806 -0.384 (0)
Fe(HS)2 1.432e-18 1.457e-18 -17.844 -17.836 0.007 (0)
Fe(HS)3- 4.907e-26 3.917e-26 -25.309 -25.407 -0.098 (0)
S(6) 1.713e-02
SO4-2 1.193e-02 4.891e-03 -1.923 -2.311 -0.387 15.42
CaSO4 4.601e-03 4.680e-03 -2.337 -2.330 0.007 7.50
NaSO4- 5.956e-04 4.800e-04 -3.225 -3.319 -0.094 15.90
FeSO4 2.294e-08 2.334e-08 -7.639 -7.632 0.007 18.97
HSO4- 1.137e-08 9.073e-09 -7.944 -8.042 -0.098 40.50
CaHSO4+ 7.355e-10 5.870e-10 -9.133 -9.231 -0.098 (0)
FeHSO4+ 3.667e-15 2.927e-15 -14.436 -14.534 -0.098 (0)
FeSO4+ 4.661e-23 3.736e-23 -22.332 -22.428 -0.096 (0)
Fe(SO4)2- 5.008e-24 3.997e-24 -23.300 -23.398 -0.098 (0)
FeHSO4+2 4.704e-30 1.909e-30 -29.328 -29.719 -0.392 (0)
O2 0.000e+00 0.000e+00 -69.474 -69.467 0.007 30.40
S(-2) 3.558e-10
HS- 3.153e-10 2.471e-10 -9.501 -9.607 -0.106 20.83
H2S 4.049e-11 4.119e-11 -10.393 -10.385 0.007 37.16
S-2 3.791e-15 1.565e-15 -14.421 -14.805 -0.384 (0)
Fe(HS)2 1.434e-18 1.459e-18 -17.844 -17.836 0.007 (0)
Fe(HS)3- 4.917e-26 3.925e-26 -25.308 -25.406 -0.098 (0)
S(6) 1.708e-02
SO4-2 1.190e-02 4.882e-03 -1.924 -2.311 -0.387 15.42
CaSO4 4.585e-03 4.664e-03 -2.339 -2.331 0.007 7.50
NaSO4- 5.946e-04 4.792e-04 -3.226 -3.319 -0.094 15.90
FeSO4 2.287e-08 2.327e-08 -7.641 -7.633 0.007 18.97
HSO4- 1.134e-08 9.050e-09 -7.945 -8.043 -0.098 40.50
CaHSO4+ 7.323e-10 5.846e-10 -9.135 -9.233 -0.098 (0)
FeHSO4+ 3.653e-15 2.916e-15 -14.437 -14.535 -0.098 (0)
FeSO4+ 4.641e-23 3.720e-23 -22.333 -22.429 -0.096 (0)
Fe(SO4)2- 4.978e-24 3.974e-24 -23.303 -23.401 -0.098 (0)
FeHSO4+2 4.678e-30 1.899e-30 -29.330 -29.721 -0.391 (0)
------------------------------Saturation indices-------------------------------
@ -1151,7 +1151,7 @@ S(6) 1.713e-02
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) -5.54 -9.46 -3.92 FeS
Goethite -0.00 -1.00 -1.00 FeOOH
Goethite 0.00 -1.00 -1.00 FeOOH
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -8.36 -11.46 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -1161,7 +1161,7 @@ S(6) 1.713e-02
Mackinawite -4.81 -9.46 -4.65 FeS
Melanterite -7.68 -9.89 -2.21 FeSO4:7H2O
O2(g) -66.57 -69.47 -2.89 O2
Pyrite 0.00 -18.48 -18.48 FeS2
Pyrite -0.00 -18.48 -18.48 FeS2
Siderite -2.89 -13.78 -10.89 FeCO3
Sulfur -6.96 -2.08 4.88 S

12
ex5.sel
View File

@ -1,8 +1,8 @@
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
1 react 1 -99 0 1 8.27921 -4.94286 0.0000e+00 1.0000e+01 -3.1438e-08 1.0000e+01 1.0965e-08 9.9995e+00 -4.9338e-04 9.9995e+00 -4.8692e-04 0.0000e+00 0.0000e+00 -6.1269
1 react 1 -99 0 2 8.17031 -4.28563 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2691e-04 1.0000e+01 1.4255e-04 0.0000e+00 0.0000e+00 -2.0146
1 react 1 -99 0 3 7.97957 -3.96643 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9360e-03 1.0002e+01 2.3965e-03 0.0000e+00 0.0000e+00 -1.0515
1 react 1 -99 0 4 7.8808 -3.81211 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5579e-03 1.0005e+01 5.1069e-03 0.0000e+00 0.0000e+00 -0.6353
1 react 1 -99 0 5 7.72516 -3.57332 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6174e-02 1.0016e+01 1.5823e-02 0.0000e+00 0.0000e+00 -0.0132
1 react 1 -99 0 6 7.71938 -3.56564 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6841e-02 1.0026e+01 2.6489e-02 9.5489e-03 9.5489e-03 0.0000
1 react 1 -99 0 1 8.27921 -4.94286 0.0000e+00 1.0000e+01 -3.1438e-08 1.0000e+01 1.0965e-08 9.9995e+00 -4.9338e-04 9.9995e+00 -4.8692e-04 0.0000e+00 0.0000e+00 -6.1255
1 react 1 -99 0 2 8.17031 -4.28563 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2691e-04 1.0000e+01 1.4255e-04 0.0000e+00 0.0000e+00 -2.0131
1 react 1 -99 0 3 7.97957 -3.96643 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9360e-03 1.0002e+01 2.3965e-03 0.0000e+00 0.0000e+00 -1.0500
1 react 1 -99 0 4 7.8808 -3.81211 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5579e-03 1.0005e+01 5.1069e-03 0.0000e+00 0.0000e+00 -0.6338
1 react 1 -99 0 5 7.72516 -3.57332 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6174e-02 1.0016e+01 1.5823e-02 0.0000e+00 0.0000e+00 -0.0118
1 react 1 -99 0 6 7.71974 -3.5662 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6842e-02 1.0026e+01 2.6489e-02 9.5906e-03 9.5906e-03 0.0000

342
ex6.out
View File

@ -68,11 +68,11 @@ Initial solution 1. PURE WATER
pH = 6.997 Charge balance
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.006e-07
Ionic strength (mol/kgw) = 1.006e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.040e-17
Total carbon (mol/kg) = 0.000e+00
@ -171,11 +171,11 @@ Kaolinite -3.81 1.90 5.71 0.000e+00 0 0.000e+00
pH = 7.004 Charge balance
pe = 10.368 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.267e-07
Ionic strength (mol/kgw) = 1.267e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.063e-07
Total carbon (mol/kg) = 0.000e+00
@ -287,11 +287,11 @@ Kaolinite 0.00 5.71 5.71
pH = 8.209 Charge balance
pe = 9.163 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.185e-06
Ionic strength (mol/kgw) = 2.185e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.359e-06
Total carbon (mol/kg) = 0.000e+00
@ -403,11 +403,11 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 9.760e-06 9.760e-06
pH = 9.107 Charge balance
pe = 8.265 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 4
Specific Conductance (µS/cm, 25°C) = 4
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.010e-05
Ionic strength (mol/kgw) = 2.010e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.184e-05
Total carbon (mol/kg) = 0.000e+00
@ -519,17 +519,17 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
pH = 9.388 Charge balance
pe = 7.983 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.273e-04
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -3.035e-17
Electrical balance (eq) = -3.037e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.110123e+02
@ -553,8 +553,8 @@ H(0) 2.560e-38
H2 1.280e-38 1.280e-38 -37.893 -37.893 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 5.088e-17
O2 2.544e-17 2.544e-17 -16.594 -16.594 0.000 30.40
O(0) 5.087e-17
O2 2.543e-17 2.543e-17 -16.595 -16.595 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
@ -615,7 +615,7 @@ Using pure phase assemblage 1.
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.025e-06
Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
@ -631,17 +631,17 @@ Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
pH = 8.351 Charge balance
pe = 9.021 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 3.029e-06
Ionic strength (mol/kgw) = 3.029e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.660e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -2.997e-17
Electrical balance (eq) = -2.999e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.110124e+02
@ -665,8 +665,8 @@ H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 3.025e-06
K+ 3.025e-06 3.018e-06 -5.519 -5.520 -0.001 8.98
O(0) 5.099e-17
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
O(0) 5.100e-17
O2 2.550e-17 2.550e-17 -16.593 -16.593 0.000 30.40
Si 6.594e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 2.114e-07 2.110e-07 -6.675 -6.676 -0.001 27.95
@ -678,7 +678,7 @@ Si 6.594e-06
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.58 -4.71 0.88 KAlSi3O8
@ -743,11 +743,11 @@ Kaolinite 0.00 5.71 5.71
pH = 9.068 Charge balance
pe = -3.259 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.199e-05
Ionic strength (mol/kgw) = 2.199e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.295e-05
Total carbon (mol/kg) = 0.000e+00
@ -880,11 +880,11 @@ Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
pH = 7.029 Charge balance
pe = -1.255 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.344e-07
Ionic strength (mol/kgw) = 1.344e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.240e-07
Total carbon (mol/kg) = 0.000e+00
@ -984,11 +984,11 @@ Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
pH = 7.103 Charge balance
pe = 11.463 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.596e-07
Ionic strength (mol/kgw) = 1.596e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.781e-07
Total carbon (mol/kg) = 0.000e+00
@ -1088,11 +1088,11 @@ Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
pH = 7.238 Charge balance
pe = -1.232 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.183e-07
Ionic strength (mol/kgw) = 2.183e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.911e-07
Total carbon (mol/kg) = 0.000e+00
@ -1192,11 +1192,11 @@ Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
pH = 7.448 Charge balance
pe = -1.590 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 3.560e-07
Ionic strength (mol/kgw) = 3.560e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.286e-07
Total carbon (mol/kg) = 0.000e+00
@ -1296,17 +1296,17 @@ Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
pH = 7.711 Charge balance
pe = -2.002 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 6.596e-07
Ionic strength (mol/kgw) = 6.596e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.018e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -3.477e-15
Electrical balance (eq) = -3.474e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 10
Total H = 1.110124e+02
@ -1400,17 +1400,17 @@ Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
pH = 7.892 Charge balance
pe = 9.814 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.013e-06
Ionic strength (mol/kgw) = 1.013e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.571e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -3.344e-17
Electrical balance (eq) = -3.304e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
Total H = 1.110124e+02
@ -1504,11 +1504,11 @@ Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
pH = 8.174 Charge balance
pe = 9.607 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.007e-06
Ionic strength (mol/kgw) = 2.007e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.091e-06
Total carbon (mol/kg) = 0.000e+00
@ -1594,7 +1594,7 @@ 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 -4.24 0.88 0.000e+00 0 0.000e+00
K-mica -1.33 11.64 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.00 5.71 5.71 0.000e+00 1.714e-06 1.714e-06
Kaolinite 0.00 5.71 5.71 0.000e+00 1.714e-06 1.714e-06
-----------------------------Solution composition------------------------------
@ -1608,18 +1608,18 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 1.714e-06 1.714e-06
pH = 8.480 Charge balance
pe = -2.767 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 4.003e-06
Ionic strength (mol/kgw) = 4.003e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.714e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = 2.000e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Electrical balance (eq) = -5.587e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550623e+01
@ -1660,7 +1660,7 @@ Si 8.571e-06
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.11 -4.24 0.88 KAlSi3O8
K-mica -1.33 11.64 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -60.33 -63.23 -2.89 O2
Quartz -1.11 -5.09 -3.98 SiO2
SiO2(a) -2.37 -5.09 -2.71 SiO2
@ -1698,7 +1698,7 @@ 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 -3.98 -3.10 0.88 0.000e+00 0 0.000e+00
K-mica -0.73 12.24 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
Kaolinite -0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
-----------------------------Solution composition------------------------------
@ -1712,11 +1712,11 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 3.697e-06 3.697e-06
pH = 8.775 Charge balance
pe = 8.985 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1
Specific Conductance (µS/cm, 25°C) = 1
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 8.002e-06
Ionic strength (mol/kgw) = 8.002e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.817e-06
Total carbon (mol/kg) = 0.000e+00
@ -1742,12 +1742,12 @@ Al 6.057e-07
Al(OH)2+ 6.137e-12 6.117e-12 -11.212 -11.213 -0.001 (0)
AlOH+2 1.327e-15 1.310e-15 -14.877 -14.883 -0.006 -27.86
Al+3 2.280e-19 2.213e-19 -18.642 -18.655 -0.013 -42.51
H(0) 4.273e-39
H2 2.136e-39 2.136e-39 -38.670 -38.670 0.000 28.61
H(0) 4.275e-39
H2 2.137e-39 2.137e-39 -38.670 -38.670 0.000 28.61
K 8.000e-06
K+ 8.000e-06 7.974e-06 -5.097 -5.098 -0.001 8.98
O(0) 1.827e-15
O2 9.133e-16 9.133e-16 -15.039 -15.039 0.000 30.40
O(0) 1.825e-15
O2 9.126e-16 9.126e-16 -15.040 -15.040 0.000 30.40
Si 1.661e-05
H4SiO4 1.526e-05 1.526e-05 -4.816 -4.816 0.000 52.08
H3SiO4- 1.345e-06 1.341e-06 -5.871 -5.873 -0.001 27.95
@ -1764,7 +1764,7 @@ Si 1.661e-05
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.98 -3.10 0.88 KAlSi3O8
K-mica -0.73 12.24 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -12.15 -15.04 -2.89 O2
Quartz -0.84 -4.82 -3.98 SiO2
SiO2(a) -2.10 -4.82 -2.71 SiO2
@ -1816,19 +1816,19 @@ Kaolinite -0.00 5.71 5.71 0.000e+00 7.703e-06 7.703e-06
pH = 9.031 Charge balance
pe = -3.375 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.600e-05
Ionic strength (mol/kgw) = 1.600e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.778e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -3.041e-17
Electrical balance (eq) = -1.355e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550628e+01
@ -1905,7 +1905,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.93 7.12 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.14 -1.26 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 1.014e-05 1.014e-05
K-mica -0.00 12.97 12.97 0.000e+00 1.014e-05 1.014e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 6.295e-07 6.295e-07
-----------------------------Solution composition------------------------------
@ -1920,19 +1920,19 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 6.295e-07 6.295e-07
pH = 9.071 Charge balance
pe = 8.470 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.187e-05
Ionic strength (mol/kgw) = 2.187e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.287e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = 1.941e-15
Electrical balance (eq) = 9.271e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550635e+01
@ -1951,10 +1951,10 @@ Al 3.338e-07
AlOH+2 9.565e-17 9.359e-17 -16.019 -16.029 -0.009 -27.86
Al+3 8.407e-21 8.007e-21 -20.075 -20.097 -0.021 -42.50
H(0) 1.177e-38
H2 5.883e-39 5.883e-39 -38.230 -38.230 0.000 28.61
H2 5.884e-39 5.884e-39 -38.230 -38.230 0.000 28.61
K 2.186e-05
K+ 2.186e-05 2.175e-05 -4.660 -4.663 -0.002 8.98
O(0) 2.409e-16
O(0) 2.408e-16
O2 1.204e-16 1.204e-16 -15.919 -15.919 0.000 30.40
Si 6.433e-05
H4SiO4 5.478e-05 5.478e-05 -4.261 -4.261 0.000 52.08
@ -1971,7 +1971,7 @@ Si 6.433e-05
H2(g) -35.13 -38.23 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.14 -1.26 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.03 -15.92 -2.89 O2
Quartz -0.28 -4.26 -3.98 SiO2
@ -2024,17 +2024,17 @@ Kaolinite -0.29 5.41 5.71 0.000e+00 0 0.000e+00
pH = 9.223 Charge balance
pe = 8.396 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 6
Specific Conductance (µS/cm, 25°C) = 6
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 4.273e-05
Ionic strength (mol/kgw) = 4.273e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.327e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -1.175e-13
Electrical balance (eq) = -1.541e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.110124e+02
@ -2058,7 +2058,7 @@ H(0) 8.192e-39
H2 4.096e-39 4.096e-39 -38.388 -38.388 0.000 28.61
K 4.273e-05
K+ 4.273e-05 4.240e-05 -4.369 -4.373 -0.003 8.99
O(0) 4.970e-16
O(0) 4.969e-16
O2 2.485e-16 2.485e-16 -15.605 -15.605 0.000 30.40
Si 1.282e-04
H4SiO4 1.027e-04 1.027e-04 -3.989 -3.989 0.000 52.08
@ -2128,19 +2128,19 @@ Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
pH = 9.303 Charge balance
pe = -3.515 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 8
Specific Conductance (µS/cm, 25°C) = 8
Density (g/cm³) = 0.99706
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 6.671e-05
Ionic strength (mol/kgw) = 6.671e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.706e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -1.163e-13
Electrical balance (eq) = -3.030e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Iterations = 15
Total H = 1.110124e+02
Total O = 5.550662e+01
@ -2232,19 +2232,19 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
pH = 9.388 Charge balance
pe = 8.438 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.273e-04
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = 1.578e-16
Electrical balance (eq) = 6.359e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 17
Iterations = 14
Total H = 1.110123e+02
Total O = 5.550698e+01
@ -2262,12 +2262,12 @@ Al 5.973e-08
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 3.150e-39
H(0) 3.149e-39
H2 1.575e-39 1.575e-39 -38.803 -38.803 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 3.361e-15
O2 1.680e-15 1.680e-15 -14.775 -14.775 0.000 30.40
O(0) 3.362e-15
O2 1.681e-15 1.681e-15 -14.774 -14.774 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
@ -2410,11 +2410,11 @@ Initial solution 1.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.006e-07
Ionic strength (mol/kgw) = 1.006e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Total carbon (mol/kg) = 0.000e+00
@ -2514,12 +2514,12 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 11.011 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
pe = 11.365 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.019e-07
Ionic strength (mol/kgw) = 1.019e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.279e-09
Total carbon (mol/kg) = 0.000e+00
@ -2527,7 +2527,7 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
Iterations = 34
Iterations = 38
Total H = 1.110124e+02
Total O = 5.550622e+01
@ -2545,12 +2545,12 @@ Al 1.266e-09
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 -0.000 (0)
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.87
Al+3 5.375e-15 5.357e-15 -14.270 -14.271 -0.001 -42.53
H(0) 1.346e-39
H2 6.732e-40 6.732e-40 -39.172 -39.172 0.000 28.61
H(0) 2.637e-40
H2 1.318e-40 1.318e-40 -39.880 -39.880 0.000 28.61
K 1.266e-09
K+ 1.266e-09 1.265e-09 -8.898 -8.898 -0.000 8.98
O(0) 1.839e-14
O2 9.197e-15 9.197e-15 -14.036 -14.036 0.000 30.40
O(0) 4.797e-13
O2 2.398e-13 2.398e-13 -12.620 -12.620 0.000 30.40
Si 3.797e-09
H4SiO4 3.791e-09 3.791e-09 -8.421 -8.421 0.000 52.08
H3SiO4- 5.596e-12 5.594e-12 -11.252 -11.252 -0.000 27.94
@ -2563,12 +2563,12 @@ Si 3.797e-09
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
Chalcedony -4.87 -8.42 -3.55 SiO2
Gibbsite -1.32 6.73 8.05 Al(OH)3
H2(g) -36.07 -39.17 -3.10 H2
H2(g) -36.78 -39.88 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -21.31 -20.43 0.88 KAlSi3O8
K-mica -19.94 -6.97 12.97 KAl3Si3O10(OH)2
Kaolinite -9.09 -3.38 5.71 Al2Si2O5(OH)4
O2(g) -11.14 -14.04 -2.89 O2
O2(g) -9.73 -12.62 -2.89 O2
Quartz -4.44 -8.42 -3.98 SiO2
SiO2(a) -5.71 -8.42 -2.71 SiO2
@ -2615,12 +2615,12 @@ Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
----------------------------Description of solution----------------------------
pH = 7.003 Charge balance
pe = 10.987 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
pe = 11.361 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.143e-07
Ionic strength (mol/kgw) = 1.143e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.690e-08
Total carbon (mol/kg) = 0.000e+00
@ -2646,12 +2646,12 @@ Al 1.392e-08
Al(OH)2+ 4.535e-10 4.534e-10 -9.343 -9.344 -0.000 (0)
AlOH+2 5.750e-12 5.741e-12 -11.240 -11.241 -0.001 -27.87
Al+3 5.756e-14 5.735e-14 -13.240 -13.241 -0.002 -42.53
H(0) 1.484e-39
H2 7.418e-40 7.418e-40 -39.130 -39.130 0.000 28.61
H(0) 2.644e-40
H2 1.322e-40 1.322e-40 -39.879 -39.879 0.000 28.61
K 1.392e-08
K+ 1.392e-08 1.392e-08 -7.856 -7.856 -0.000 8.98
O(0) 1.515e-14
O2 7.576e-15 7.576e-15 -14.121 -14.121 0.000 30.40
O(0) 4.770e-13
O2 2.385e-13 2.385e-13 -12.623 -12.623 0.000 30.40
Si 4.176e-08
H4SiO4 4.170e-08 4.170e-08 -7.380 -7.380 0.000 52.08
H3SiO4- 6.198e-11 6.196e-11 -10.208 -10.208 -0.000 27.94
@ -2664,12 +2664,12 @@ Si 4.176e-08
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
Chalcedony -3.83 -7.38 -3.55 SiO2
Gibbsite -0.28 7.77 8.05 Al(OH)3
H2(g) -36.03 -39.13 -3.10 H2
H2(g) -36.78 -39.88 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -16.10 -15.22 0.88 KAlSi3O8
K-mica -12.66 0.31 12.97 KAl3Si3O10(OH)2
Kaolinite -4.93 0.78 5.71 Al2Si2O5(OH)4
O2(g) -11.23 -14.12 -2.89 O2
O2(g) -9.73 -12.62 -2.89 O2
Quartz -3.40 -7.38 -3.98 SiO2
SiO2(a) -4.67 -7.38 -2.71 SiO2
@ -2717,12 +2717,12 @@ Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
----------------------------Description of solution----------------------------
pH = 7.209 Charge balance
pe = 10.746 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
pe = 11.154 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 2.035e-07
Ionic strength (mol/kgw) = 2.035e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.647e-07
Total carbon (mol/kg) = 0.000e+00
@ -2748,12 +2748,12 @@ Al 4.101e-08
Al(OH)2+ 5.388e-10 5.386e-10 -9.269 -9.269 -0.000 (0)
AlOH+2 4.255e-12 4.246e-12 -11.371 -11.372 -0.001 -27.87
Al+3 2.654e-14 2.642e-14 -13.576 -13.578 -0.002 -42.53
H(0) 1.742e-39
H2 8.708e-40 8.708e-40 -39.060 -39.060 0.000 28.61
H(0) 2.658e-40
H2 1.329e-40 1.329e-40 -39.876 -39.876 0.000 28.61
K 1.405e-07
K+ 1.405e-07 1.404e-07 -6.852 -6.853 -0.000 8.98
O(0) 1.099e-14
O2 5.497e-15 5.497e-15 -14.260 -14.260 0.000 30.40
O(0) 4.721e-13
O2 2.360e-13 2.360e-13 -12.627 -12.627 0.000 30.40
Si 4.214e-07
H4SiO4 4.204e-07 4.204e-07 -6.376 -6.376 0.000 52.08
H3SiO4- 1.004e-09 1.003e-09 -8.998 -8.999 -0.000 27.94
@ -2766,12 +2766,12 @@ Si 4.214e-07
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.82 -6.38 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -35.96 -39.06 -3.10 H2
H2(g) -36.78 -39.88 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -11.60 -10.72 0.88 KAlSi3O8
K-mica -7.60 5.37 12.97 KAl3Si3O10(OH)2
Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4
O2(g) -11.37 -14.26 -2.89 O2
O2(g) -9.73 -12.63 -2.89 O2
Quartz -2.40 -6.38 -3.98 SiO2
SiO2(a) -3.66 -6.38 -2.71 SiO2
@ -2804,7 +2804,7 @@ A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 9.946e-08 1.144e-06 1.045e-06
Gibbsite -0.00 8.05 8.05 9.946e-08 1.144e-06 1.045e-06
K-mica -2.79 10.18 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
@ -2819,12 +2819,12 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
----------------------------Description of solution----------------------------
pH = 8.032 Charge balance
pe = -2.768 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
pe = 10.324 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.416e-06
Ionic strength (mol/kgw) = 1.416e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.193e-06
Total carbon (mol/kg) = 0.000e+00
@ -2832,7 +2832,7 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 137
Iterations = 67
Total H = 1.110124e+02
Total O = 5.550622e+01
@ -2850,12 +2850,12 @@ Al 2.620e-07
Al(OH)2+ 8.115e-11 8.104e-11 -10.091 -10.091 -0.001 (0)
AlOH+2 9.668e-14 9.614e-14 -13.015 -13.017 -0.002 -27.87
Al+3 9.113e-17 8.999e-17 -16.040 -16.046 -0.005 -42.52
H(0) 4.202e-14
H2 2.101e-14 2.101e-14 -13.678 -13.678 0.000 28.61
H(0) 2.757e-40
H2 1.378e-40 1.378e-40 -39.861 -39.861 0.000 28.61
K 1.406e-06
K+ 1.406e-06 1.404e-06 -5.852 -5.853 -0.001 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -65.025 -65.025 0.000 30.40
O(0) 4.388e-13
O2 2.194e-13 2.194e-13 -12.659 -12.659 0.000 30.40
Si 4.218e-06
H4SiO4 4.152e-06 4.152e-06 -5.382 -5.382 0.000 52.08
H3SiO4- 6.594e-08 6.584e-08 -7.181 -7.181 -0.001 27.94
@ -2867,13 +2867,13 @@ Si 4.218e-06
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.83 -5.38 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -10.58 -13.68 -3.10 H2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -36.76 -39.86 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -6.79 -5.92 0.88 KAlSi3O8
K-mica -2.79 10.18 12.97 KAl3Si3O10(OH)2
Kaolinite -0.37 5.33 5.71 Al2Si2O5(OH)4
O2(g) -62.13 -65.02 -2.89 O2
O2(g) -9.77 -12.66 -2.89 O2
Quartz -1.40 -5.38 -3.98 SiO2
SiO2(a) -2.67 -5.38 -2.71 SiO2
@ -2910,7 +2910,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.59 7.45 8.05 1.144e-06 0 -1.144e-06
K-mica -0.28 12.69 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
Kaolinite -0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
-----------------------------Solution composition------------------------------
@ -2923,12 +2923,12 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
----------------------------Description of solution----------------------------
pH = 8.987 Charge balance
pe = -3.532 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 2
pe = 9.376 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 2
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.406e-05
Ionic strength (mol/kgw) = 1.406e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.586e-05
Total carbon (mol/kg) = 0.000e+00
@ -2954,12 +2954,12 @@ Al 5.993e-07
Al(OH)2+ 2.295e-12 2.285e-12 -11.639 -11.641 -0.002 (0)
AlOH+2 3.060e-16 3.007e-16 -15.514 -15.522 -0.008 -27.86
Al+3 3.247e-20 3.122e-20 -19.489 -19.506 -0.017 -42.50
H(0) 1.747e-14
H2 8.737e-15 8.737e-15 -14.059 -14.059 0.000 28.61
H(0) 2.665e-40
H2 1.333e-40 1.333e-40 -39.875 -39.875 0.000 28.61
K 1.406e-05
K+ 1.406e-05 1.400e-05 -4.852 -4.854 -0.002 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.263 -64.263 0.000 30.40
O(0) 4.695e-13
O2 2.348e-13 2.348e-13 -12.629 -12.629 0.000 30.40
Si 2.872e-05
H4SiO4 2.511e-05 2.511e-05 -4.600 -4.600 0.000 52.08
H3SiO4- 3.606e-06 3.590e-06 -5.443 -5.445 -0.002 27.95
@ -2972,12 +2972,12 @@ Si 2.872e-05
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
Chalcedony -1.05 -4.60 -3.55 SiO2
Gibbsite -0.59 7.45 8.05 Al(OH)3
H2(g) -10.96 -14.06 -3.10 H2
H2(g) -36.77 -39.88 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.09 -2.21 0.88 KAlSi3O8
K-mica -0.28 12.69 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -61.37 -64.26 -2.89 O2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -9.74 -12.63 -2.89 O2
Quartz -0.62 -4.60 -3.98 SiO2
SiO2(a) -1.89 -4.60 -2.71 SiO2
@ -3029,12 +3029,12 @@ Kaolinite -0.57 5.14 5.71 6.730e-06 0 -6.730e-06
----------------------------Description of solution----------------------------
pH = 9.338 Charge balance
pe = 8.942 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10
pe = 8.994 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10
Density (g/cm³) = 0.99706
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 8.446e-05
Ionic strength (mol/kgw) = 8.446e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.473e-05
Total carbon (mol/kg) = 0.000e+00
@ -3042,7 +3042,7 @@ Kaolinite -0.57 5.14 5.71 6.730e-06 0 -6.730e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -1.219e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3391
Iterations = 3072
Total H = 1.110123e+02
Total O = 5.550672e+01
@ -3060,12 +3060,12 @@ Al 9.244e-08
Al(OH)2+ 7.020e-14 6.946e-14 -13.154 -13.158 -0.005 (0)
AlOH+2 4.247e-18 4.070e-18 -17.372 -17.390 -0.018 -27.84
Al+3 2.069e-22 1.882e-22 -21.684 -21.725 -0.041 -42.46
H(0) 3.896e-40
H2 1.948e-40 1.948e-40 -39.710 -39.710 0.000 28.61
H(0) 3.066e-40
H2 1.533e-40 1.533e-40 -39.814 -39.814 0.000 28.61
K 8.445e-05
K+ 8.445e-05 8.355e-05 -4.073 -4.078 -0.005 8.99
O(0) 2.196e-13
O2 1.098e-13 1.098e-13 -12.959 -12.959 0.000 30.40
O(0) 3.547e-13
O2 1.774e-13 1.774e-13 -12.751 -12.751 0.000 30.40
Si 2.534e-04
H4SiO4 1.913e-04 1.913e-04 -3.718 -3.718 0.000 52.08
H3SiO4- 6.207e-05 6.141e-05 -4.207 -4.212 -0.005 27.95
@ -3078,12 +3078,12 @@ Si 2.534e-04
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
Chalcedony -0.17 -3.72 -3.55 SiO2
Gibbsite -1.76 6.29 8.05 Al(OH)3
H2(g) -36.61 -39.71 -3.10 H2
H2(g) -36.71 -39.81 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.48 0.39 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.57 5.14 5.71 Al2Si2O5(OH)4
O2(g) -10.07 -12.96 -2.89 O2
O2(g) -9.86 -12.75 -2.89 O2
Quartz 0.26 -3.72 -3.98 SiO2
SiO2(a) -1.01 -3.72 -2.71 SiO2
@ -3122,7 +3122,7 @@ F: K-mica -> K-feldspar 4.7638e+07 1.9074e+02 5.4868e+00 -3.5536e+00
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 6.362e-05 2.144e-05
K-mica -0.00 12.97 12.97 4.218e-05 6.362e-05 2.144e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
@ -3136,18 +3136,18 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
----------------------------Description of solution----------------------------
pH = 9.388 Charge balance
pe = 8.860 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
pe = 8.949 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.273e-04
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (°C) = 25.00
Electrical balance (eq) = -1.219e-09
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 1790
Total H = 1.110123e+02
@ -3167,12 +3167,12 @@ Al 5.973e-08
Al(OH)2+ 3.600e-14 3.553e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 4.509e-40
H2 2.254e-40 2.255e-40 -39.647 -39.647 0.000 28.61
H(0) 2.993e-40
H2 1.496e-40 1.496e-40 -39.825 -39.825 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 1.640e-13
O2 8.201e-14 8.201e-14 -13.086 -13.086 0.000 30.40
O(0) 3.723e-13
O2 1.862e-13 1.862e-13 -12.730 -12.730 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
@ -3185,12 +3185,12 @@ Si 3.819e-04
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -36.55 -39.65 -3.10 H2
H2(g) -36.72 -39.82 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -0.00 0.87 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -10.19 -13.09 -2.89 O2
O2(g) -9.84 -12.73 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
@ -3253,11 +3253,11 @@ Initial solution 1.
pH = 11.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 278
Specific Conductance (µS/cm, 25°C) = 280
Density (g/cm³) = 0.99712
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.175e-03
Ionic strength (mol/kgw) = 1.175e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.064e-03
Total carbon (mol/kg) = 0.000e+00
@ -3328,11 +3328,11 @@ Initial solution 2.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 191
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Activity of water = 1.000
Ionic strength = 1.333e-03
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.178e-07
Total carbon (mol/kg) = 0.000e+00
@ -3403,11 +3403,11 @@ Initial solution 3.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 191
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99715
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.333e-03
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.863e-07
Total carbon (mol/kg) = 0.000e+00
@ -3478,11 +3478,11 @@ Initial solution 4.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 1.01094
Volume (L) = 1.01964
Activity of water = 0.995
Ionic strength = 2.403e-04
Ionic strength (mol/kgw) = 2.403e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.803e-04
Total carbon (mol/kg) = 0.000e+00
@ -3588,11 +3588,11 @@ Initial solution 1.
pH = 11.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 278
Specific Conductance (µS/cm, 25°C) = 280
Density (g/cm³) = 0.99714
Volume (L) = 1.00299
Activity of water = 1.000
Ionic strength = 1.372e-03
Ionic strength (mol/kgw) = 1.372e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.700e-03
Total carbon (mol/kg) = 0.000e+00
@ -3663,11 +3663,11 @@ Initial solution 2.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 191
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99715
Volume (L) = 1.00302
Activity of water = 1.000
Ionic strength = 1.333e-03
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.863e-07
Total carbon (mol/kg) = 0.000e+00
@ -3738,11 +3738,11 @@ Initial solution 3.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 191
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Activity of water = 1.000
Ionic strength = 1.333e-03
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.178e-07
Total carbon (mol/kg) = 0.000e+00
@ -3813,11 +3813,11 @@ Initial solution 4.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.229e-07
Ionic strength (mol/kgw) = 1.229e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.131e-07
Total carbon (mol/kg) = 0.000e+00
@ -3883,6 +3883,6 @@ Reading input data for simulation 12.
-------------------------------------
-------------------------------
End of Run after 0.265 Seconds.
End of Run after 0.268 Seconds.
-------------------------------

16
ex6A-B.sel
View File

@ -3,8 +3,8 @@
2 react 1 -99 0 1 7.00369 10.3679 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.8080 -10.6919 -14.6949
3 react 1 -99 0 1 8.20884 9.16277 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8618 -5.8648
4 react 1 -99 0 1 9.10706 8.26451 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 0.0000 0.0000 -2.5429
5 react 1 -99 0 1 9.38811 7.98327 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
6 react 1 -99 0 1 8.35063 9.02098 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.5776 -5.5806
5 react 1 -99 0 1 9.38811 7.98324 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
6 react 1 -99 0 1 8.35063 9.021 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5776 -5.5806
7 react 1 -99 0 1 9.06827 -3.25856 -4.6603e+00 -9.0683e+00 -4.2503e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2815e-05 1.0000e+00 1.0830e-05 0.0000e+00 0.0000e+00 -0.9448 0.0000 0.0000 -2.1135
8 react 1 -99 0 1 7.02917 -1.25493 -7.3981e+00 -7.0292e+00 -6.9215e+00 1.1996e-08 1.1996e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9565 -13.9595
8 react 1 -99 0 2 7.10321 11.4626 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
@ -13,10 +13,10 @@
8 react 1 -99 0 5 7.71092 -2.00241 -6.1942e+00 -7.7109e+00 -5.7200e+00 5.1404e-07 5.1404e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4663 -8.4693
8 react 1 -99 0 6 7.89183 9.81356 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6657 -3.5152 -7.5182
8 react 1 -99 0 7 8.17443 9.60703 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0727 -2.0422 -6.0452
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 -0.0000 -1.3266 -5.1114
8 react 1 -99 0 9 8.77515 8.985 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 0.0000 -0.7312 -3.9771
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 0.0000 -1.3266 -5.1114
8 react 1 -99 0 9 8.77515 8.98491 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 -0.0000 -0.7312 -3.9771
8 react 1 -99 0 10 9.03134 -3.37462 -4.7979e+00 -9.0313e+00 -4.5510e+00 0.0000e+00 0.0000e+00 7.7032e-06 7.7032e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6440 -0.0000 -0.1746 -2.8896
8 react 1 -99 0 11 9.07064 8.46955 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 0.0000 0.0000 -2.1358
8 react 1 -99 0 12 9.22303 8.3958 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 -0.0000 -1.2950
8 react 1 -99 0 13 9.30283 -3.51485 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 0.0000 -0.7610
8 react 1 -99 0 14 9.38811 8.43824 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 -0.0000 -0.0000
8 react 1 -99 0 11 9.07064 8.46951 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 0.0000 -0.0000 -2.1358
8 react 1 -99 0 12 9.22303 8.39578 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 -0.0000 -1.2950
8 react 1 -99 0 13 9.30283 -3.51487 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 0.0000 -0.7610
8 react 1 -99 0 14 9.38811 8.43828 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 -0.0000 -0.0000

151
ex7.out
View File

@ -74,11 +74,11 @@ Initial solution 1.
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.007e-07
Ionic strength (mol/kgw) = 1.007e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Total carbon (mol/kg) = 0.000e+00
@ -142,11 +142,11 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.502e-03
pH = 6.971 Charge balance
pe = -1.249 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 453
Specific Conductance (µS/cm, 25°C) = 444
Density (g/cm³) = 0.99738
Volume (L) = 1.00304
Activity of water = 1.000
Ionic strength = 7.282e-03
Ionic strength (mol/kgw) = 7.282e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.004e-03
Total CO2 (mol/kg) = 6.070e-03
@ -293,11 +293,11 @@ Reaction 1.
pH = 6.832 Charge balance
pe = -3.723 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 456
Specific Conductance (µS/cm, 25°C) = 447
Density (g/cm³) = 0.99738
Volume (L) = 1.00306
Activity of water = 1.000
Ionic strength = 7.353e-03
Ionic strength (mol/kgw) = 7.353e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.074e-03
Total CO2 (mol/kg) = 6.570e-03
@ -398,11 +398,11 @@ Reaction 1.
pH = 6.728 Charge balance
pe = -3.644 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 458
Specific Conductance (µS/cm, 25°C) = 449
Density (g/cm³) = 0.99738
Volume (L) = 1.00310
Activity of water = 1.000
Ionic strength = 7.422e-03
Ionic strength (mol/kgw) = 7.422e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.144e-03
Total CO2 (mol/kg) = 7.070e-03
@ -503,11 +503,11 @@ Reaction 1.
pH = 6.647 Charge balance
pe = -3.574 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 461
Specific Conductance (µS/cm, 25°C) = 452
Density (g/cm³) = 0.99738
Volume (L) = 1.00313
Activity of water = 1.000
Ionic strength = 7.491e-03
Ionic strength (mol/kgw) = 7.491e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.214e-03
Total CO2 (mol/kg) = 7.570e-03
@ -622,11 +622,11 @@ N2(g) -3.44 3.639e-04 1.000 0.000e+00 1.661e-07 1.661e-07
pH = 6.586 Charge balance
pe = -3.506 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 464
Specific Conductance (µS/cm, 25°C) = 455
Density (g/cm³) = 0.99738
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 7.558e-03
Ionic strength (mol/kgw) = 7.558e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 5.283e-03
Total CO2 (mol/kg) = 8.032e-03
@ -741,11 +741,11 @@ N2(g) -3.01 9.673e-04 1.000 0.000e+00 2.583e-06 2.583e-06
pH = 6.426 Charge balance
pe = -3.321 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 474
Specific Conductance (µS/cm, 25°C) = 465
Density (g/cm³) = 0.99741
Volume (L) = 1.00319
Activity of water = 1.000
Ionic strength = 7.825e-03
Ionic strength (mol/kgw) = 7.825e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 5.558e-03
Total CO2 (mol/kg) = 9.737e-03
@ -860,11 +860,11 @@ N2(g) -2.58 2.646e-03 1.000 0.000e+00 2.014e-05 2.014e-05
pH = 6.272 Charge balance
pe = -3.139 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 494
Specific Conductance (µS/cm, 25°C) = 484
Density (g/cm³) = 0.99747
Volume (L) = 1.00327
Activity of water = 1.000
Ionic strength = 8.330e-03
Ionic strength (mol/kgw) = 8.330e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.080e-03
Total CO2 (mol/kg) = 1.259e-02
@ -872,7 +872,7 @@ N2(g) -2.58 2.646e-03 1.000 0.000e+00 2.014e-05 2.014e-05
Pressure (atm) = 1.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Iterations = 22
Total H = 1.110207e+02
Total O = 5.553368e+01
@ -979,11 +979,11 @@ N2(g) -2.13 7.472e-03 1.000 0.000e+00 1.432e-04 1.432e-04
pH = 6.161 Charge balance
pe = -3.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 526
Specific Conductance (µS/cm, 25°C) = 516
Density (g/cm³) = 0.99755
Volume (L) = 1.00337
Activity of water = 1.000
Ionic strength = 9.168e-03
Ionic strength (mol/kgw) = 9.168e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.948e-03
Total CO2 (mol/kg) = 1.652e-02
@ -1098,11 +1098,11 @@ N2(g) -1.77 1.682e-02 1.000 0.000e+00 7.776e-04 7.776e-04
pH = 6.101 Charge balance
pe = -2.918 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 562
Specific Conductance (µS/cm, 25°C) = 552
Density (g/cm³) = 0.99763
Volume (L) = 1.00348
Activity of water = 1.000
Ionic strength = 1.010e-02
Ionic strength (mol/kgw) = 1.010e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 7.907e-03
Total CO2 (mol/kg) = 2.039e-02
@ -1217,11 +1217,11 @@ N2(g) -1.60 2.536e-02 1.001 0.000e+00 2.607e-03 2.607e-03
pH = 6.071 Charge balance
pe = -2.875 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 584
Specific Conductance (µS/cm, 25°C) = 574
Density (g/cm³) = 0.99768
Volume (L) = 1.00356
Activity of water = 0.999
Ionic strength = 1.068e-02
Ionic strength (mol/kgw) = 1.068e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.506e-03
Total CO2 (mol/kg) = 2.286e-02
@ -1336,11 +1336,11 @@ N2(g) -1.51 3.067e-02 1.001 0.000e+00 6.826e-03 6.826e-03
pH = 6.054 Charge balance
pe = -2.852 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 596
Specific Conductance (µS/cm, 25°C) = 585
Density (g/cm³) = 0.99771
Volume (L) = 1.00364
Activity of water = 0.999
Ionic strength = 1.097e-02
Ionic strength (mol/kgw) = 1.097e-02
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 8.812e-03
Total CO2 (mol/kg) = 2.424e-02
@ -1455,11 +1455,11 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02
pH = 6.046 Charge balance
pe = -2.840 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 601
Specific Conductance (µS/cm, 25°C) = 590
Density (g/cm³) = 0.99772
Volume (L) = 1.00376
Activity of water = 0.999
Ionic strength = 1.111e-02
Ionic strength (mol/kgw) = 1.111e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.955e-03
Total CO2 (mol/kg) = 2.492e-02
@ -1574,11 +1574,11 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02
pH = 6.042 Charge balance
pe = -2.834 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 603
Specific Conductance (µS/cm, 25°C) = 593
Density (g/cm³) = 0.99773
Volume (L) = 1.00397
Activity of water = 0.999
Ionic strength = 1.118e-02
Ionic strength (mol/kgw) = 1.118e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.023e-03
Total CO2 (mol/kg) = 2.526e-02
@ -1586,7 +1586,7 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02
Pressure (atm) = 1.10
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Iterations = 23
Total H = 1.110669e+02
Total O = 5.557873e+01
@ -1744,7 +1744,7 @@ Component log P P phi Initial Final Delta
CH4(g) -3.26 5.527e-04 1.000 2.675e-22 5.242e-04 5.242e-04
CO2(g) -1.49 3.208e-02 1.000 2.997e-02 3.042e-02 4.563e-04
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.336e-05
H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.337e-05
N2(g) -4.45 3.524e-05 1.000 0.000e+00 3.342e-05 3.342e-05
-----------------------------Solution composition------------------------------
@ -1759,19 +1759,19 @@ N2(g) -4.45 3.524e-05 1.000 0.000e+00 3.342e-05 3.342e-05
pH = 6.965 Charge balance
pe = -3.529 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 453
Specific Conductance (µS/cm, 25°C) = 444
Density (g/cm³) = 0.99734
Volume (L) = 1.00308
Activity of water = 1.000
Ionic strength = 7.286e-03
Ionic strength (mol/kgw) = 7.286e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.007e-03
Total CO2 (mol/kg) = 6.089e-03
Temperature (°C) = 25.00
Pressure (atm) = 0.06
Electrical balance (eq) = -1.217e-09
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 25
Iterations = 31
Total H = 1.110125e+02
Total O = 5.552090e+01
@ -1878,11 +1878,11 @@ N2(g) -4.15 7.072e-05 1.000 0.000e+00 6.707e-05 6.707e-05
pH = 6.959 Charge balance
pe = -3.560 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 453
Specific Conductance (µS/cm, 25°C) = 444
Density (g/cm³) = 0.99734
Volume (L) = 1.00308
Activity of water = 1.000
Ionic strength = 7.288e-03
Ionic strength (mol/kgw) = 7.288e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.010e-03
Total CO2 (mol/kg) = 6.108e-03
@ -1890,7 +1890,7 @@ N2(g) -4.15 7.072e-05 1.000 0.000e+00 6.707e-05 6.707e-05
Pressure (atm) = 0.07
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 27
Iterations = 26
Total H = 1.110126e+02
Total O = 5.552099e+01
@ -1997,11 +1997,11 @@ N2(g) -3.97 1.063e-04 1.000 0.000e+00 1.008e-04 1.008e-04
pH = 6.953 Charge balance
pe = -3.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 453
Specific Conductance (µS/cm, 25°C) = 444
Density (g/cm³) = 0.99734
Volume (L) = 1.00308
Activity of water = 1.000
Ionic strength = 7.291e-03
Ionic strength (mol/kgw) = 7.291e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.012e-03
Total CO2 (mol/kg) = 6.127e-03
@ -2009,7 +2009,7 @@ N2(g) -3.97 1.063e-04 1.000 0.000e+00 1.008e-04 1.008e-04
Pressure (atm) = 0.07
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Iterations = 31
Total H = 1.110127e+02
Total O = 5.552108e+01
@ -2116,11 +2116,11 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04
pH = 6.947 Charge balance
pe = -3.584 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 453
Specific Conductance (µS/cm, 25°C) = 444
Density (g/cm³) = 0.99734
Volume (L) = 1.00308
Activity of water = 1.000
Ionic strength = 7.293e-03
Ionic strength (mol/kgw) = 7.293e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.015e-03
Total CO2 (mol/kg) = 6.145e-03
@ -2128,7 +2128,7 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04
Pressure (atm) = 0.07
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Iterations = 29
Total H = 1.110128e+02
Total O = 5.552117e+01
@ -2235,11 +2235,11 @@ N2(g) -3.55 2.843e-04 1.000 0.000e+00 2.696e-04 2.696e-04
pH = 6.923 Charge balance
pe = -3.595 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 454
Specific Conductance (µS/cm, 25°C) = 445
Density (g/cm³) = 0.99734
Volume (L) = 1.00309
Activity of water = 1.000
Ionic strength = 7.303e-03
Ionic strength (mol/kgw) = 7.303e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.024e-03
Total CO2 (mol/kg) = 6.221e-03
@ -2306,6 +2306,13 @@ O(0) 0.000e+00
Reaction step 6.
WARNING: Numerical method failed, switching to numerical derivatives.
WARNING: Maximum iterations exceeded, 100
WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying smaller step size, pe step size 10, 5 ...
Using solution 1. Solution after simulation 1.
Using gas phase 1. Gas phase after simulation 3.
Using reaction 1.
@ -2354,11 +2361,11 @@ N2(g) -3.24 5.691e-04 1.000 0.000e+00 5.397e-04 5.397e-04
pH = 6.880 Charge balance
pe = -3.584 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 454
Specific Conductance (µS/cm, 25°C) = 445
Density (g/cm³) = 0.99734
Volume (L) = 1.00310
Activity of water = 1.000
Ionic strength = 7.323e-03
Ionic strength (mol/kgw) = 7.323e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.044e-03
Total CO2 (mol/kg) = 6.371e-03
@ -2366,7 +2373,7 @@ N2(g) -3.24 5.691e-04 1.000 0.000e+00 5.397e-04 5.397e-04
Pressure (atm) = 0.08
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Iterations = 27
Total H = 1.110141e+02
Total O = 5.552222e+01
@ -2473,19 +2480,19 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03
pH = 6.806 Charge balance
pe = -3.538 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 456
Specific Conductance (µS/cm, 25°C) = 447
Density (g/cm³) = 0.99735
Volume (L) = 1.00313
Activity of water = 1.000
Ionic strength = 7.364e-03
Ionic strength (mol/kgw) = 7.364e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.085e-03
Total CO2 (mol/kg) = 6.674e-03
Temperature (°C) = 25.00
Pressure (atm) = 0.10
Electrical balance (eq) = -1.217e-09
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 26
Iterations = 27
Total H = 1.110159e+02
Total O = 5.552363e+01
@ -2592,19 +2599,19 @@ N2(g) -2.64 2.269e-03 1.000 0.000e+00 2.152e-03 2.152e-03
pH = 6.692 Charge balance
pe = -3.445 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 460
Specific Conductance (µS/cm, 25°C) = 451
Density (g/cm³) = 0.99736
Volume (L) = 1.00317
Activity of water = 1.000
Ionic strength = 7.455e-03
Ionic strength (mol/kgw) = 7.455e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.177e-03
Total CO2 (mol/kg) = 7.289e-03
Temperature (°C) = 25.00
Pressure (atm) = 0.13
Electrical balance (eq) = -1.217e-09
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Iterations = 30
Total H = 1.110195e+02
Total O = 5.552646e+01
@ -2711,19 +2718,19 @@ N2(g) -2.36 4.408e-03 1.000 0.000e+00 4.182e-03 4.182e-03
pH = 6.541 Charge balance
pe = -3.311 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 467
Specific Conductance (µS/cm, 25°C) = 458
Density (g/cm³) = 0.99738
Volume (L) = 1.00326
Activity of water = 1.000
Ionic strength = 7.655e-03
Ionic strength (mol/kgw) = 7.655e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.384e-03
Total CO2 (mol/kg) = 8.489e-03
Temperature (°C) = 25.00
Pressure (atm) = 0.20
Electrical balance (eq) = -1.217e-09
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 28
Iterations = 33
Total H = 1.110264e+02
Total O = 5.553189e+01
@ -2830,11 +2837,11 @@ N2(g) -2.06 8.752e-03 1.000 0.000e+00 8.307e-03 8.307e-03
pH = 6.361 Charge balance
pe = -3.140 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 486
Specific Conductance (µS/cm, 25°C) = 477
Density (g/cm³) = 0.99743
Volume (L) = 1.00344
Activity of water = 1.000
Ionic strength = 8.132e-03
Ionic strength (mol/kgw) = 8.132e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.877e-03
Total CO2 (mol/kg) = 1.101e-02
@ -2842,7 +2849,7 @@ N2(g) -2.06 8.752e-03 1.000 0.000e+00 8.307e-03 8.307e-03
Pressure (atm) = 0.33
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 29
Iterations = 31
Total H = 1.110406e+02
Total O = 5.554310e+01
@ -2949,11 +2956,11 @@ 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) = 526
Specific Conductance (µS/cm, 25°C) = 517
Density (g/cm³) = 0.99754
Volume (L) = 1.00381
Activity of water = 1.000
Ionic strength = 9.176e-03
Ionic strength (mol/kgw) = 9.176e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.957e-03
Total CO2 (mol/kg) = 1.613e-02
@ -2961,7 +2968,7 @@ N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02
Pressure (atm) = 0.60
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 30
Iterations = 32
Total H = 1.110692e+02
Total O = 5.556559e+01
@ -3068,19 +3075,19 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02
pH = 6.021 Charge balance
pe = -2.810 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 607
Specific Conductance (µS/cm, 25°C) = 596
Density (g/cm³) = 0.99775
Volume (L) = 1.00453
Activity of water = 0.999
Ionic strength = 1.126e-02
Ionic strength (mol/kgw) = 1.126e-02
Mass of water (kg) = 1.001e+00
Total alkalinity (eq/kg) = 9.112e-03
Total CO2 (mol/kg) = 2.631e-02
Temperature (°C) = 25.00
Pressure (atm) = 1.13
Electrical balance (eq) = -1.206e-09
Electrical balance (eq) = -1.202e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 33
Iterations = 34
Total H = 1.111264e+02
Total O = 5.561044e+01
@ -3146,6 +3153,6 @@ Reading input data for simulation 4.
------------------------------------
-------------------------------
End of Run after 0.031 Seconds.
End of Run after 0.022 Seconds.
-------------------------------

8
ex7.sel
View File

@ -14,13 +14,13 @@
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1045e-01 1.1309e+01 2.1951e-01 2.6076e-01 1.5502e-02 0.0000e+00
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5607e-01 5.2387e-01 3.2966e-02 0.0000e+00
3 i_gas -99 -1.5001 -21.5495 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4109e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7073e-05 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7073e-05 0.0000e+00
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2829e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00
3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1597e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00
3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7257e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7259e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9134e-02 3.3559e-02 2.1518e-03 0.0000e+00
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6910e-02 6.5530e-02 4.1820e-03 0.0000e+00
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1301e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00

154
ex8.out
View File

@ -89,11 +89,11 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 10341
Specific Conductance (µS/cm, 25°C) = 9863
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.326e-06
Total carbon (mol/kg) = 0.000e+00
@ -185,11 +185,11 @@ Initial solution 2.
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00266
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.447e-05
Total carbon (mol/kg) = 0.000e+00
@ -345,11 +345,11 @@ Hfo_w
pH = 5.000 Charge balance
pe = 15.095 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.994e-02
Ionic strength (mol/kgw) = 9.994e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.211e-05
Total carbon (mol/kg) = 0.000e+00
@ -484,11 +484,11 @@ Hfo_w
pH = 5.250 Charge balance
pe = 14.809 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.995e-02
Ionic strength (mol/kgw) = 9.995e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.811e-06
Total carbon (mol/kg) = 0.000e+00
@ -496,7 +496,7 @@ 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
@ -623,11 +623,11 @@ Hfo_w
pH = 5.500 Charge balance
pe = 14.523 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10338
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.996e-02
Ionic strength (mol/kgw) = 9.996e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.827e-06
Total carbon (mol/kg) = 0.000e+00
@ -635,7 +635,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -8.214e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 14
Iterations = 15
Total H = 1.110123e+02
Total O = 5.580613e+01
@ -762,11 +762,11 @@ Hfo_w
pH = 5.750 Charge balance
pe = 14.237 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.997e-02
Ionic strength (mol/kgw) = 9.997e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.147e-06
Total carbon (mol/kg) = 0.000e+00
@ -774,7 +774,7 @@ 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
@ -901,11 +901,11 @@ Hfo_w
pH = 6.000 Charge balance
pe = 13.952 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.997e-02
Ionic strength (mol/kgw) = 9.997e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.198e-06
Total carbon (mol/kg) = 0.000e+00
@ -1040,11 +1040,11 @@ Hfo_w
pH = 6.250 Charge balance
pe = 13.666 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.998e-02
Ionic strength (mol/kgw) = 9.998e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.577e-07
Total carbon (mol/kg) = 0.000e+00
@ -1179,11 +1179,11 @@ Hfo_w
pH = 6.500 Charge balance
pe = 13.380 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.998e-02
Ionic strength (mol/kgw) = 9.998e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.412e-07
Total carbon (mol/kg) = 0.000e+00
@ -1191,7 +1191,7 @@ 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
@ -1318,11 +1318,11 @@ Hfo_w
pH = 6.750 Charge balance
pe = 13.095 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10340
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.999e-02
Ionic strength (mol/kgw) = 9.999e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.409e-07
Total carbon (mol/kg) = 0.000e+00
@ -1457,11 +1457,11 @@ Hfo_w
pH = 7.000 Charge balance
pe = 12.809 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10340
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.999e-02
Ionic strength (mol/kgw) = 9.999e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.134e-08
Total carbon (mol/kg) = 0.000e+00
@ -1596,11 +1596,11 @@ Hfo_w
pH = 7.250 Charge balance
pe = 12.523 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10340
Specific Conductance (µS/cm, 25°C) = 9863
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 9.999e-02
Ionic strength (mol/kgw) = 9.999e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.674e-07
Total carbon (mol/kg) = 0.000e+00
@ -1735,11 +1735,11 @@ Hfo_w
pH = 7.500 Charge balance
pe = 12.237 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10341
Specific Conductance (µS/cm, 25°C) = 9863
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.806e-07
Total carbon (mol/kg) = 0.000e+00
@ -1874,11 +1874,11 @@ Hfo_w
pH = 7.750 Charge balance
pe = 11.952 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10341
Specific Conductance (µS/cm, 25°C) = 9863
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.233e-07
Total carbon (mol/kg) = 0.000e+00
@ -2013,11 +2013,11 @@ Hfo_w
pH = 8.000 Charge balance
pe = 11.666 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10341
Specific Conductance (µS/cm, 25°C) = 9863
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.312e-06
Total carbon (mol/kg) = 0.000e+00
@ -2184,11 +2184,11 @@ Hfo_w
pH = 5.000 Charge balance
pe = 15.095 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10337
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.211e-05
Total carbon (mol/kg) = 0.000e+00
@ -2323,11 +2323,11 @@ Hfo_w
pH = 5.250 Charge balance
pe = 14.809 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10337
Specific Conductance (µS/cm, 25°C) = 9860
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -6.802e-06
Total carbon (mol/kg) = 0.000e+00
@ -2462,11 +2462,11 @@ Hfo_w
pH = 5.500 Charge balance
pe = 14.523 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10336
Specific Conductance (µS/cm, 25°C) = 9859
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.811e-06
Total carbon (mol/kg) = 0.000e+00
@ -2601,11 +2601,11 @@ Hfo_w
pH = 5.750 Charge balance
pe = 14.237 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10336
Specific Conductance (µS/cm, 25°C) = 9859
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -2.118e-06
Total carbon (mol/kg) = 0.000e+00
@ -2740,11 +2740,11 @@ Hfo_w
pH = 6.000 Charge balance
pe = 13.952 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10337
Specific Conductance (µS/cm, 25°C) = 9860
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.147e-06
Total carbon (mol/kg) = 0.000e+00
@ -2879,11 +2879,11 @@ Hfo_w
pH = 6.250 Charge balance
pe = 13.666 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10337
Specific Conductance (µS/cm, 25°C) = 9860
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -5.675e-07
Total carbon (mol/kg) = 0.000e+00
@ -3018,11 +3018,11 @@ Hfo_w
pH = 6.500 Charge balance
pe = 13.380 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10337
Specific Conductance (µS/cm, 25°C) = 9860
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -1.822e-07
Total carbon (mol/kg) = 0.000e+00
@ -3157,11 +3157,11 @@ Hfo_w
pH = 6.750 Charge balance
pe = 13.094 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10338
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.338e-07
Total carbon (mol/kg) = 0.000e+00
@ -3296,11 +3296,11 @@ Hfo_w
pH = 7.000 Charge balance
pe = 12.809 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10338
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.001e-01
Ionic strength (mol/kgw) = 1.001e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.724e-07
Total carbon (mol/kg) = 0.000e+00
@ -3308,7 +3308,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.819e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 26
Iterations = 23
Total H = 1.110125e+02
Total O = 5.580624e+01
@ -3435,11 +3435,11 @@ Hfo_w
pH = 7.250 Charge balance
pe = 12.523 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.254e-07
Total carbon (mol/kg) = 0.000e+00
@ -3574,11 +3574,11 @@ Hfo_w
pH = 7.500 Charge balance
pe = 12.237 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
Specific Conductance (µS/cm, 25°C) = 9861
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.631e-06
Total carbon (mol/kg) = 0.000e+00
@ -3603,7 +3603,7 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42
N(0) 5.759e-08
N(0) 5.760e-08
N2 2.880e-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
@ -3613,7 +3613,7 @@ 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
O2 7.185e-08 7.353e-08 -7.144 -7.134 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)
@ -3712,12 +3712,12 @@ Hfo_w
----------------------------Description of solution----------------------------
pH = 7.750 Charge balance
pe = 11.952 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10339
pe = 11.951 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.832e-06
Total carbon (mol/kg) = 0.000e+00
@ -3725,7 +3725,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -2.080e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24
Iterations = 23
Total H = 1.110126e+02
Total O = 5.580632e+01
@ -3740,19 +3740,19 @@ 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 18.17
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 18.17
NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42
N(0) 4.167e-08
N2 2.083e-08 2.132e-08 -7.681 -7.671 0.010 29.29
N(3) 1.475e-12
NO2- 1.475e-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 5.161e-08 5.281e-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)
@ -3768,7 +3768,7 @@ 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
@ -3852,11 +3852,11 @@ Hfo_w
pH = 8.000 Charge balance
pe = 11.666 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10340
Specific Conductance (µS/cm, 25°C) = 9862
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Activity of water = 0.997
Ionic strength = 1.000e-01
Ionic strength (mol/kgw) = 1.000e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.948e-06
Total carbon (mol/kg) = 0.000e+00
@ -3864,7 +3864,7 @@ Hfo_w
Temperature (°C) = 25.00
Electrical balance (eq) = -1.854e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 25
Iterations = 24
Total H = 1.110127e+02
Total O = 5.580635e+01
@ -3890,8 +3890,8 @@ N(5) 1.000e-01
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) 7.448e-08
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
O(0) 7.447e-08
O2 3.724e-08 3.810e-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)

2
ex8.sel
View File

@ -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

48
ex9.out
View File

@ -178,11 +178,11 @@ Initial solution 1.
pH = 7.000
pe = 13.629 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 1199
Specific Conductance (µS/cm, 25°C) = 1192
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.030e-02
Ionic strength (mol/kgw) = 1.030e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.313e-07
Total carbon (mol/kg) = 0.000e+00
@ -270,11 +270,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.665e-07
pH = 6.044 Charge balance
pe = 14.585 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1199
Specific Conductance (µS/cm, 25°C) = 1192
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.030e-02
Ionic strength (mol/kgw) = 1.030e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.297e-06
Total carbon (mol/kg) = 0.000e+00
@ -371,11 +371,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.854e-07
pH = 5.807 Charge balance
pe = 14.823 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1199
Specific Conductance (µS/cm, 25°C) = 1192
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.030e-02
Ionic strength (mol/kgw) = 1.030e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.039e-06
Total carbon (mol/kg) = 0.000e+00
@ -472,11 +472,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.065e-07
pH = 5.522 Charge balance
pe = 15.108 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1200
Specific Conductance (µS/cm, 25°C) = 1193
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.029e-02
Ionic strength (mol/kgw) = 1.029e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.665e-06
Total carbon (mol/kg) = 0.000e+00
@ -573,11 +573,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.919e-07
pH = 5.324 Charge balance
pe = 15.306 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1201
Specific Conductance (µS/cm, 25°C) = 1194
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.029e-02
Ionic strength (mol/kgw) = 1.029e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.632e-06
Total carbon (mol/kg) = 0.000e+00
@ -674,11 +674,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.723e-07
pH = 5.194 Charge balance
pe = 15.435 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1201
Specific Conductance (µS/cm, 25°C) = 1194
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.029e-02
Ionic strength (mol/kgw) = 1.029e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.520e-06
Total carbon (mol/kg) = 0.000e+00
@ -775,11 +775,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.060e-07
pH = 5.072 Charge balance
pe = 15.557 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1202
Specific Conductance (µS/cm, 25°C) = 1195
Density (g/cm³) = 0.99747
Volume (L) = 1.00315
Activity of water = 1.000
Ionic strength = 1.029e-02
Ionic strength (mol/kgw) = 1.029e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.944e-06
Total carbon (mol/kg) = 0.000e+00
@ -876,11 +876,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.200e-07
pH = 4.976 Charge balance
pe = 15.653 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1203
Specific Conductance (µS/cm, 25°C) = 1196
Density (g/cm³) = 0.99747
Volume (L) = 1.00314
Activity of water = 1.000
Ionic strength = 1.029e-02
Ionic strength (mol/kgw) = 1.029e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.242e-05
Total carbon (mol/kg) = 0.000e+00
@ -977,11 +977,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.777e-07
pH = 4.881 Charge balance
pe = 15.748 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1204
Specific Conductance (µS/cm, 25°C) = 1197
Density (g/cm³) = 0.99747
Volume (L) = 1.00314
Activity of water = 1.000
Ionic strength = 1.028e-02
Ionic strength (mol/kgw) = 1.028e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.553e-05
Total carbon (mol/kg) = 0.000e+00
@ -1078,11 +1078,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.431e-07
pH = 4.826 Charge balance
pe = 15.803 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1204
Specific Conductance (µS/cm, 25°C) = 1197
Density (g/cm³) = 0.99747
Volume (L) = 1.00314
Activity of water = 1.000
Ionic strength = 1.028e-02
Ionic strength (mol/kgw) = 1.028e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.771e-05
Total carbon (mol/kg) = 0.000e+00
@ -1179,11 +1179,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.308e-07
pH = 4.787 Charge balance
pe = 15.842 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1205
Specific Conductance (µS/cm, 25°C) = 1198
Density (g/cm³) = 0.99747
Volume (L) = 1.00314
Activity of water = 1.000
Ionic strength = 1.028e-02
Ionic strength (mol/kgw) = 1.028e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.943e-05
Total carbon (mol/kg) = 0.000e+00
@ -1280,11 +1280,11 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.627e-07
pH = 4.758 Charge balance
pe = 15.872 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1205
Specific Conductance (µS/cm, 25°C) = 1198
Density (g/cm³) = 0.99747
Volume (L) = 1.00314
Activity of water = 1.000
Ionic strength = 1.028e-02
Ionic strength (mol/kgw) = 1.028e-02
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.088e-05
Total carbon (mol/kg) = 0.000e+00