From 717e7c19b207a138d8c6ed243ec325c0c7a74590 Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Tue, 24 Sep 2024 22:07:19 +0000 Subject: [PATCH] Squashed 'examples/' changes from 4a0d366e..8d50b95a 8d50b95a Updated output files for current version git-subtree-dir: examples git-subtree-split: 8d50b95a9fe30f7fedc2d189b361c7849a68df01 --- ex1.out | 3 +- ex10.out | 6 +- ex11.out | 3 +- ex11trn.sel | 38 ++--- ex12.sel | 4 +- ex12a.sel | 12 +- ex13a.out | 1 - ex13ac.out | 1 - ex13b.out | 1 - ex13c.out | 1 - ex14.out | 21 +-- ex16.out | 6 +- ex17b.out | 4 +- ex18.out | 8 +- ex21.out | 2 - ex22.out | 432 ++++++++++++++++++++++++++-------------------------- ex3.out | 80 +++++----- ex4.out | 7 +- ex5.out | 25 ++- ex6.out | 8 +- ex7.out | 88 +++++------ ex8.out | 146 +++++++----------- ex8.sel | 4 +- ex9.out | 34 ++--- 24 files changed, 433 insertions(+), 502 deletions(-) diff --git a/ex1.out b/ex1.out index 1e5dee3ba..62b2a3264 100644 --- a/ex1.out +++ b/ex1.out @@ -124,7 +124,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -248,7 +248,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 4.381e-04 O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40 S(6) 2.926e-02 diff --git a/ex10.out b/ex10.out index a4bf78c6e..3a5e71311 100644 --- a/ex10.out +++ b/ex10.out @@ -123,7 +123,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 701 Density (g/cm³) = 0.99755 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89435 + Viscosity (mPa s) = 0.89463 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.134e-02 Mass of water (kg) = 1.000e+00 @@ -206,10 +206,10 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02 pH = 6.058 Charge balance pe = 11.902 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1708 + Specific Conductance (µS/cm, 25°C) = 1684 Density (g/cm³) = 0.99860 Volume (L) = 1.00434 - Viscosity (mPa s) = 0.89962 + Viscosity (mPa s) = 0.92188 Activity of water = 0.999 Ionic strength (mol/kgw) = 2.900e-02 Mass of water (kg) = 9.999e-01 diff --git a/ex11.out b/ex11.out index c9b25c64c..47df60a7c 100644 --- a/ex11.out +++ b/ex11.out @@ -126,7 +126,7 @@ Initial solution 1. Initial solution for column Activity of water = 1.000 Ionic strength (mol/kgw) = 1.200e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = -1.017e-18 + Total alkalinity (eq/kg) = -1.027e-18 Temperature (°C) = 25.00 Electrical balance (eq) = -9.088e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 @@ -150,7 +150,6 @@ N(5) 1.200e-03 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017 29.49 Na 1.000e-03 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017 -1.47 - NaOH 9.666e-21 9.668e-21 -20.015 -20.015 0.000 (0) O(0) 5.351e-04 O2 2.676e-04 2.676e-04 -3.573 -3.572 0.000 30.40 diff --git a/ex11trn.sel b/ex11trn.sel index c1c2d809e..79b36acc7 100644 --- a/ex11trn.sel +++ b/ex11trn.sel @@ -57,27 +57,27 @@ 55 8.344533301406e-04 1.131625845338e-03 3.655466698441e-04 0.000000000000e+00 1.387500000000e+00 56 7.847919650475e-04 1.142020362045e-03 4.152080349369e-04 0.000000000000e+00 1.412500000000e+00 57 7.284538372959e-04 1.150973656035e-03 4.715461626881e-04 3.531139650212e-28 1.437500000000e+00 - 58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178351e-26 1.462500000000e+00 + 58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178352e-26 1.462500000000e+00 59 6.042301758578e-04 1.165225432017e-03 5.957698241254e-04 2.112623929847e-24 1.487500000000e+00 - 60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241146e-23 1.512500000000e+00 + 60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241147e-23 1.512500000000e+00 61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871101e-21 1.537500000000e+00 - 62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754641e-19 1.562500000000e+00 - 63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268300e-18 1.587500000000e+00 - 64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724513e-16 1.612500000000e+00 - 65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487699e-15 1.637500000000e+00 - 66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678983e-14 1.662500000000e+00 + 62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754642e-19 1.562500000000e+00 + 63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268301e-18 1.587500000000e+00 + 64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724514e-16 1.612500000000e+00 + 65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487700e-15 1.637500000000e+00 + 66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678986e-14 1.662500000000e+00 67 2.026802660677e-04 1.191965263410e-03 9.973197311041e-04 1.404108206640e-12 1.687500000000e+00 - 68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178733e-11 1.712500000000e+00 - 69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832664e-10 1.737500000000e+00 - 70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988345e-08 1.762500000000e+00 - 71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005567e-07 1.787500000000e+00 - 72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617447e-06 1.812500000000e+00 - 73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048444e-05 1.837500000000e+00 + 68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178734e-11 1.712500000000e+00 + 69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832667e-10 1.737500000000e+00 + 70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988346e-08 1.762500000000e+00 + 71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005568e-07 1.787500000000e+00 + 72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617448e-06 1.812500000000e+00 + 73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048446e-05 1.837500000000e+00 74 5.053198367604e-05 1.197971659937e-03 7.350507107061e-04 2.072086528030e-04 1.862500000000e+00 - 75 3.879701357395e-05 1.198343349753e-03 5.356918142768e-04 3.127555860708e-04 1.887500000000e+00 + 75 3.879701357395e-05 1.198343349753e-03 5.356918142767e-04 3.127555860708e-04 1.887500000000e+00 76 3.007678322722e-05 1.198648658204e-03 4.021188008094e-04 3.839022079790e-04 1.912500000000e+00 - 77 2.344463549483e-05 1.198899057198e-03 3.068522371412e-04 4.348515636801e-04 1.937500000000e+00 - 78 1.834047972307e-05 1.199104120993e-03 2.366187847945e-04 4.725203677398e-04 1.962500000000e+00 + 77 2.344463549483e-05 1.198899057198e-03 3.068522371411e-04 4.348515636801e-04 1.937500000000e+00 + 78 1.834047972307e-05 1.199104120993e-03 2.366187847944e-04 4.725203677398e-04 1.962500000000e+00 79 1.438416333582e-05 1.199271821253e-03 1.838015689086e-04 5.009071338768e-04 1.987500000000e+00 80 1.130287552755e-05 1.199408780437e-03 1.435541337153e-04 5.225714953778e-04 2.012500000000e+00 81 8.894854154099e-06 1.199520488471e-03 1.125953626079e-04 5.392548916185e-04 2.037500000000e+00 @@ -86,13 +86,13 @@ 84 4.362237388672e-06 1.199745698858e-03 5.532050326743e-05 5.701586296717e-04 2.112500000000e+00 85 3.445231625616e-06 1.199794545990e-03 4.384740222256e-05 5.763536830758e-04 2.137500000000e+00 86 2.722483623513e-06 1.199834157394e-03 3.481279241283e-05 5.812323619826e-04 2.162500000000e+00 - 87 2.152343734153e-06 1.199866246232e-03 2.768046312193e-05 5.850835965725e-04 2.187500000000e+00 + 87 2.152343734153e-06 1.199866246232e-03 2.768046312192e-05 5.850835965725e-04 2.187500000000e+00 88 1.702259902002e-06 1.199892215323e-03 2.203774543638e-05 5.881299973317e-04 2.212500000000e+00 89 1.346733078607e-06 1.199913211686e-03 1.756522033724e-05 5.905440232928e-04 2.237500000000e+00 90 1.065752199293e-06 1.199930171882e-03 1.401446577327e-05 5.924598910143e-04 2.262500000000e+00 91 8.435890597776e-07 1.199943859609e-03 1.119149963194e-05 5.939824556550e-04 2.287500000000e+00 - 92 6.678659094764e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00 - 93 5.288312745990e-07 1.199963789378e-03 7.153523668295e-06 5.961588225292e-04 2.337500000000e+00 + 92 6.678659094763e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00 + 93 5.288312745990e-07 1.199963789378e-03 7.153523668294e-06 5.961588225292e-04 2.337500000000e+00 94 4.187957414427e-07 1.199970948301e-03 5.724978921457e-06 5.969281126691e-04 2.362500000000e+00 95 3.316912256408e-07 1.199976707113e-03 4.584400974714e-06 5.975419539002e-04 2.387500000000e+00 96 2.627259549757e-07 1.199981336185e-03 3.673012861562e-06 5.980321305921e-04 2.412500000000e+00 diff --git a/ex12.sel b/ex12.sel index 5bafa0966..d549d47fa 100644 --- a/ex12.sel +++ b/ex12.sel @@ -75,7 +75,7 @@ 2.83333 1.078314727713e+00 1.077198297073e+00 2.292280169464e+01 5.933476222844e+00 3.16666 6.047305557783e-01 6.039382767914e-01 2.339606171644e+01 4.701379781820e+00 3.5 3.237709470080e-01 3.232490525632e-01 2.367675094204e+01 3.667800399953e+00 - 3.83333 1.655104664086e-01 1.651896628001e-01 2.383481033299e+01 2.816701882844e+00 + 3.83333 1.655104664086e-01 1.651896628002e-01 2.383481033299e+01 2.816701882844e+00 4.16666 8.080257204240e-02 8.061777229753e-02 2.391938222449e+01 2.128773573946e+00 4.5 3.768568646672e-02 3.758557520676e-02 2.396241442239e+01 1.582986272153e+00 4.83333 1.679767756894e-02 1.674652868459e-02 2.398325346955e+01 1.157966472262e+00 @@ -107,7 +107,7 @@ 13.5 1.456506511045e-03 1.450373187822e-03 2.399854962640e+01 2.689568433456e-01 13.8333 3.570772369452e-03 3.557230846966e-03 2.399644276858e+01 3.761696764504e-01 14.1667 8.372702446682e-03 8.344318209114e-03 2.399165568100e+01 5.167554989993e-01 - 14.5 1.876668623423e-02 1.871028306261e-02 2.398128971588e+01 6.972801618698e-01 + 14.5 1.876668623423e-02 1.871028306262e-02 2.398128971588e+01 6.972801618698e-01 14.8333 4.018855158439e-02 4.008246069532e-02 2.395991753791e+01 9.242091443386e-01 15.1667 8.218587185627e-02 8.199729506180e-02 2.391800270313e+01 1.203352315083e+00 15.5 1.604262488969e-01 1.601100284715e-01 2.383988996925e+01 1.539191520808e+00 diff --git a/ex12a.sel b/ex12a.sel index ed20e23d6..caa7d6cc1 100644 --- a/ex12a.sel +++ b/ex12a.sel @@ -105,16 +105,16 @@ 0.5 1.732877230198e+01 1.732818349806e+01 6.671816494265e+00 2.011806700218e+01 9.000885944563e-08 3.998622946029e-05 0.833333 1.328083118787e+01 1.327977600374e+01 1.072022398538e+01 1.760855984595e+01 1.16667 9.764783869793e+00 9.763295612551e+00 1.423670437487e+01 1.521226338238e+01 - 1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470946e-06 5.706265744742e-05 + 1.5 6.876979954453e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470925e-06 5.706265744742e-05 1.83333 4.633445178532e+00 4.631592230628e+00 1.936840775690e+01 1.089878644681e+01 2.16667 2.983957613764e+00 2.982233846716e+00 2.101776614197e+01 9.031332911150e+00 - 2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299459e-06 1.617537638526e-05 + 2.5 1.835670035272e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299443e-06 1.617537638526e-05 2.83333 1.078309641703e+00 1.077193213980e+00 2.292280677773e+01 5.933464823767e+00 3.16667 6.047271172834e-01 6.039348411906e-01 2.339606515204e+01 4.701369003156e+00 - 3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892205e-06 -3.366526094913e-06 + 3.5 3.237687663205e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892201e-06 -3.366526094913e-06 3.83333 1.655091653734e-01 1.651883636811e-01 2.383481163211e+01 2.816693051604e+00 4.16667 8.080184009388e-02 8.061704168687e-02 2.391938295510e+01 2.128765894911e+00 - 4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372489e-06 -2.476867168243e-06 + 4.5 3.768529738011e-02 3.758518697824e-02 2.396241481061e+01 1.582979760724e+00 5.639342372485e-06 -2.476867168242e-06 4.83333 1.679748179371e-02 1.674633341902e-02 2.398325366481e+01 1.157961083143e+00 5.16667 7.158658672534e-03 7.133952391643e-03 2.399286604633e+01 8.331082803354e-01 5.5 2.918406916536e-03 2.907101078212e-03 2.399709289802e+01 5.894142528789e-01 4.455972089510e-06 -4.912290758279e-07 @@ -123,10 +123,10 @@ 6.5 1.523110828883e-04 1.515144739607e-04 2.399984848524e+01 1.884278508358e-01 2.697942283073e-06 -4.814123673546e-08 6.83333 5.227158933236e-05 5.197321123247e-05 2.399994802660e+01 1.244614394110e-01 7.16667 1.720693831522e-05 1.710029263504e-05 2.399998289958e+01 8.078687428981e-02 - 7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985251e-06 -2.664487783140e-09 + 7.5 5.436060934909e-06 5.399649415897e-06 2.399999460027e+01 5.153218579103e-02 1.262649985252e-06 -2.664487783140e-09 7.83333 1.649088195275e-06 1.637200882995e-06 2.399999836275e+01 3.231618817631e-02 8.16667 4.806358157844e-07 4.769214798034e-07 2.399999952305e+01 1.995341519604e-02 - 8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268245e-11 + 8.5 1.346685590700e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268244e-11 8.83333 3.634651793240e-08 3.602679113544e-08 2.399999996396e+01 7.477181955864e-03 9.16667 9.688299803978e-09 9.597461159243e-09 2.399999999040e+01 4.798414843917e-03 9.5 3.521245209155e-09 3.486098607350e-09 2.399999999651e+01 3.529705336616e-03 diff --git a/ex13a.out b/ex13a.out index 566b957b3..b4c072b21 100644 --- a/ex13a.out +++ b/ex13a.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/ex13ac.out b/ex13ac.out index 6d99ba6b9..a83605a01 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/ex13b.out b/ex13b.out index 83257bbb8..d91b1ae38 100644 --- a/ex13b.out +++ b/ex13b.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/ex13c.out b/ex13c.out index 5102e6e43..815ca21b6 100644 --- a/ex13c.out +++ b/ex13c.out @@ -87,7 +87,6 @@ N(5) 1.000e-03 NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50 Na 1.000e-03 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019 -1.47 - NaOH 9.693e-21 9.696e-21 -20.014 -20.013 0.000 (0) O(0) 5.110e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 diff --git a/ex14.out b/ex14.out index 71a465f42..fc3343abf 100644 --- a/ex14.out +++ b/ex14.out @@ -88,10 +88,10 @@ Initial solution 1. Brine pH = 5.713 pe = 14.962 Equilibrium with O2(g) - Specific Conductance (µS/cm, 25°C) = 243000 + Specific Conductance (µS/cm, 25°C) = 242995 Density (g/cm³) = 1.21629 Volume (L) = 1.13700 - Viscosity (mPa s) = 1.95441 + Viscosity (mPa s) = 1.95446 Activity of water = 0.785 Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 @@ -152,7 +152,6 @@ Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73 - NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0) O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 @@ -249,10 +248,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03 pH = 5.720 Charge balance pe = 14.955 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 242937 + Specific Conductance (µS/cm, 25°C) = 242932 Density (g/cm³) = 1.21626 Volume (L) = 1.13699 - Viscosity (mPa s) = 1.95490 + Viscosity (mPa s) = 1.95495 Activity of water = 0.785 Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 @@ -313,7 +312,6 @@ Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73 - NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0) O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 @@ -467,7 +465,7 @@ Initial solution 0. 20 x precipitation Specific Conductance (µS/cm, 25°C) = 81 Density (g/cm³) = 0.99708 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89050 + Viscosity (mPa s) = 0.89051 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.036e-03 Mass of water (kg) = 1.000e+00 @@ -523,7 +521,6 @@ Na 1.227e-04 Na+ 1.223e-04 1.179e-04 -3.913 -3.928 -0.016 -1.48 NaSO4- 3.912e-07 3.775e-07 -6.408 -6.423 -0.016 -20.88 NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73 - NaOH 4.751e-24 4.753e-24 -23.323 -23.323 0.000 (0) O(0) 5.111e-04 O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40 S(-2) 0.000e+00 @@ -599,10 +596,10 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03 pH = 7.047 Charge balance pe = 13.576 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 603 + Specific Conductance (µS/cm, 25°C) = 602 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89401 + Viscosity (mPa s) = 0.89550 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.649e-03 Mass of water (kg) = 9.999e-01 @@ -658,7 +655,6 @@ Na 1.227e-04 Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73 NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 - NaOH 1.240e-21 1.243e-21 -20.907 -20.906 0.001 (0) O(0) 5.111e-04 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 S(-2) 0.000e+00 @@ -1002,7 +998,7 @@ X 1.000e+00 mol Specific Conductance (µS/cm, 25°C) = 602 Density (g/cm³) = 0.99746 Volume (L) = 1.00305 - Viscosity (mPa s) = 0.89401 + Viscosity (mPa s) = 0.89550 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.645e-03 Mass of water (kg) = 9.999e-01 @@ -1063,7 +1059,6 @@ Na 1.227e-04 Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73 NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 - NaOH 1.239e-21 1.242e-21 -20.907 -20.906 0.001 (0) O(0) 5.111e-04 O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40 S(-2) 0.000e+00 diff --git a/ex16.out b/ex16.out index b6bac07bc..996b5b976 100644 --- a/ex16.out +++ b/ex16.out @@ -82,7 +82,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 38 Density (g/cm³) = 0.99708 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89038 + Viscosity (mPa s) = 0.89070 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 @@ -141,7 +141,6 @@ Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 - NaOH 2.095e-22 2.096e-22 -21.679 -21.679 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40 S(6) 1.000e-05 @@ -212,7 +211,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 97 Density (g/cm³) = 0.99712 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.89080 + Viscosity (mPa s) = 0.89116 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 @@ -271,7 +270,6 @@ Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 - NaOH 1.587e-21 1.587e-21 -20.800 -20.799 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40 S(6) 2.500e-05 diff --git a/ex17b.out b/ex17b.out index 1d5ea13f8..f00646275 100644 --- a/ex17b.out +++ b/ex17b.out @@ -2482,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00 pH = 7.377 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 181678 + Specific Conductance (µS/cm, 25°C) = 181677 Density (g/cm³) = 1.23961 Volume (L) = 0.01574 Viscosity (mPa s) = 2.84317 @@ -2641,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00 pH = 7.379 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 176353 + Specific Conductance (µS/cm, 25°C) = 176352 Density (g/cm³) = 1.24332 Volume (L) = 0.01472 Viscosity (mPa s) = 2.98015 diff --git a/ex18.out b/ex18.out index dc9986e51..f1a3a1fd1 100644 --- a/ex18.out +++ b/ex18.out @@ -121,7 +121,7 @@ Initial solution 1. Recharge number 3 Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31358 + Viscosity (mPa s) = 1.31409 Activity of water = 1.000 Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 @@ -193,7 +193,6 @@ Na 2.000e-05 Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 - NaOH 1.896e-22 1.898e-22 -21.722 -21.722 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94 S(6) 1.600e-04 @@ -256,10 +255,10 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10507 + Specific Conductance (µS/cm, 63°C) = 10505 Density (g/cm³) = 0.98520 Volume (L) = 1.01942 - Viscosity (mPa s) = 0.45606 + Viscosity (mPa s) = 0.45631 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 @@ -339,7 +338,6 @@ Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 - NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51 S(-2) 2.600e-04 diff --git a/ex21.out b/ex21.out index 339f19afc..e4d8058a7 100644 --- a/ex21.out +++ b/ex21.out @@ -139,7 +139,6 @@ H(0) 1.416e-25 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000 28.61 Na 1.000e-03 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48 - NaOH 9.767e-21 9.769e-21 -20.010 -20.010 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 @@ -502,7 +501,6 @@ Na 2.400e-01 Na+ 2.347e-01 1.701e-01 -0.629 -0.769 -0.140 -0.85 NaSO4- 5.251e-03 3.746e-03 -2.280 -2.426 -0.147 2.97 NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75 - NaOH 5.351e-18 5.818e-18 -17.272 -17.235 0.036 (0) O(0) 2.438e-04 O2 1.219e-04 1.325e-04 -3.914 -3.878 0.036 30.24 S(6) 1.410e-02 diff --git a/ex22.out b/ex22.out index baa2a4073..c57ca3a5d 100644 --- a/ex22.out +++ b/ex22.out @@ -245,10 +245,10 @@ H2O(g) -1.45 3.586e-02 0.878 1.285e-03 1.587e-03 3.014e-04 pH = 3.368 Charge balance pe = 14.672 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 165 + Specific Conductance (µS/cm, 25°C) = 155 Density (g/cm³) = 1.00156 Volume (L) = 1.01670 - Viscosity (mPa s) = 0.89006 + Viscosity (mPa s) = 0.91920 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.384e-04 Mass of water (kg) = 1.000e+00 @@ -339,10 +339,10 @@ H2O(g) -1.38 4.125e-02 0.766 1.587e-03 1.998e-03 4.108e-04 pH = 3.241 Charge balance pe = 14.793 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 218 + Specific Conductance (µS/cm, 25°C) = 193 Density (g/cm³) = 1.00523 Volume (L) = 1.02762 - Viscosity (mPa s) = 0.88995 + Viscosity (mPa s) = 0.94202 Activity of water = 0.987 Ionic strength (mol/kgw) = 5.901e-04 Mass of water (kg) = 1.000e+00 @@ -433,10 +433,10 @@ H2O(g) -1.32 4.764e-02 0.666 1.998e-03 2.555e-03 5.569e-04 pH = 3.178 Charge balance pe = 14.865 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 248 + Specific Conductance (µS/cm, 25°C) = 212 Density (g/cm³) = 1.00802 Volume (L) = 1.03574 - Viscosity (mPa s) = 0.88983 + Viscosity (mPa s) = 0.95902 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.833e-04 Mass of water (kg) = 9.999e-01 @@ -527,10 +527,10 @@ H2O(g) -1.26 5.498e-02 0.580 2.555e-03 3.300e-03 7.455e-04 pH = 3.142 Charge balance pe = 14.877 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 267 + Specific Conductance (µS/cm, 25°C) = 222 Density (g/cm³) = 1.01002 Volume (L) = 1.04130 - Viscosity (mPa s) = 0.88973 + Viscosity (mPa s) = 0.97075 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.422e-04 Mass of water (kg) = 9.999e-01 @@ -621,10 +621,10 @@ H2O(g) -1.20 6.307e-02 0.507 3.300e-03 4.278e-03 9.775e-04 pH = 3.122 Charge balance pe = 14.890 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 278 + Specific Conductance (µS/cm, 25°C) = 228 Density (g/cm³) = 1.01134 Volume (L) = 1.04476 - Viscosity (mPa s) = 0.88965 + Viscosity (mPa s) = 0.97819 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.783e-04 Mass of water (kg) = 9.999e-01 @@ -715,10 +715,10 @@ H2O(g) -1.15 7.157e-02 0.448 4.278e-03 5.528e-03 1.251e-03 pH = 3.111 Charge balance pe = 14.943 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 284 + Specific Conductance (µS/cm, 25°C) = 231 Density (g/cm³) = 1.01215 Volume (L) = 1.04668 - Viscosity (mPa s) = 0.88959 + Viscosity (mPa s) = 0.98243 Activity of water = 0.978 Ionic strength (mol/kgw) = 7.989e-04 Mass of water (kg) = 9.999e-01 @@ -809,10 +809,10 @@ H2O(g) -1.10 8.014e-02 0.401 5.528e-03 7.089e-03 1.561e-03 pH = 3.105 Charge balance pe = 14.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 287 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01257 Volume (L) = 1.04759 - Viscosity (mPa s) = 0.88955 + Viscosity (mPa s) = 0.98452 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.092e-04 Mass of water (kg) = 9.999e-01 @@ -903,10 +903,10 @@ H2O(g) -1.05 8.845e-02 0.364 7.089e-03 8.995e-03 1.905e-03 pH = 3.103 Charge balance pe = 14.980 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04788 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98529 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.131e-04 Mass of water (kg) = 9.998e-01 @@ -997,10 +997,10 @@ H2O(g) -1.02 9.646e-02 0.334 8.995e-03 1.127e-02 2.272e-03 pH = 3.103 Charge balance pe = 14.928 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04787 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98535 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.134e-04 Mass of water (kg) = 9.998e-01 @@ -1091,10 +1091,10 @@ H2O(g) -0.98 1.051e-01 0.306 1.127e-02 1.389e-02 2.628e-03 pH = 3.103 Charge balance pe = 14.901 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01275 Volume (L) = 1.04780 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98532 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.133e-04 Mass of water (kg) = 9.997e-01 @@ -1185,10 +1185,10 @@ H2O(g) -0.94 1.145e-01 0.281 1.389e-02 1.691e-02 3.018e-03 pH = 3.103 Charge balance pe = 14.638 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 289 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01273 Volume (L) = 1.04770 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98522 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.129e-04 Mass of water (kg) = 9.997e-01 @@ -1279,10 +1279,10 @@ H2O(g) -0.90 1.248e-01 0.258 1.691e-02 2.036e-02 3.449e-03 pH = 3.104 Charge balance pe = 2.312 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01271 Volume (L) = 1.04756 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98509 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.123e-04 Mass of water (kg) = 9.996e-01 @@ -1373,10 +1373,10 @@ H2O(g) -0.87 1.359e-01 0.237 2.036e-02 2.428e-02 3.919e-03 pH = 3.104 Charge balance pe = 14.806 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01269 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98492 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.116e-04 Mass of water (kg) = 9.995e-01 @@ -1467,10 +1467,10 @@ H2O(g) -0.83 1.479e-01 0.218 2.428e-02 2.871e-02 4.427e-03 pH = 3.104 Charge balance pe = 14.718 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01267 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98477 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.110e-04 Mass of water (kg) = 9.995e-01 @@ -1561,10 +1561,10 @@ H2O(g) -0.79 1.606e-01 0.200 2.871e-02 3.368e-02 4.970e-03 pH = 3.105 Charge balance pe = 14.909 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04709 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98465 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.105e-04 Mass of water (kg) = 9.994e-01 @@ -1655,10 +1655,10 @@ H2O(g) -0.76 1.742e-01 0.185 3.368e-02 3.922e-02 5.546e-03 pH = 3.105 Charge balance pe = 14.952 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 288 + Specific Conductance (µS/cm, 25°C) = 233 Density (g/cm³) = 1.01265 Volume (L) = 1.04696 - Viscosity (mPa s) = 0.88954 + Viscosity (mPa s) = 0.98459 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.102e-04 Mass of water (kg) = 9.993e-01 @@ -1749,10 +1749,10 @@ H2O(g) -0.69 2.026e-01 0.159 3.922e-02 4.502e-02 5.801e-03 pH = 3.102 Charge balance pe = 14.961 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 290 + Specific Conductance (µS/cm, 25°C) = 234 Density (g/cm³) = 1.01297 Volume (L) = 1.04694 - Viscosity (mPa s) = 0.88947 + Viscosity (mPa s) = 0.98520 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.154e-04 Mass of water (kg) = 9.992e-01 @@ -1843,10 +1843,10 @@ H2O(g) -0.61 2.464e-01 0.132 4.502e-02 5.114e-02 6.118e-03 pH = 3.097 Charge balance pe = 14.914 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 293 + Specific Conductance (µS/cm, 25°C) = 236 Density (g/cm³) = 1.01354 Volume (L) = 1.04694 - Viscosity (mPa s) = 0.88936 + Viscosity (mPa s) = 0.98618 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.244e-04 Mass of water (kg) = 9.991e-01 @@ -1937,10 +1937,10 @@ H2O(g) -0.51 3.084e-01 0.107 5.114e-02 5.758e-02 6.433e-03 pH = 3.091 Charge balance pe = 14.977 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 297 + Specific Conductance (µS/cm, 25°C) = 239 Density (g/cm³) = 1.01434 Volume (L) = 1.04689 - Viscosity (mPa s) = 0.88921 + Viscosity (mPa s) = 0.98743 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.368e-04 Mass of water (kg) = 9.989e-01 @@ -2031,10 +2031,10 @@ H2O(g) -0.40 3.942e-01 0.085 5.758e-02 6.425e-02 6.677e-03 pH = 3.083 Charge balance pe = 14.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 303 + Specific Conductance (µS/cm, 25°C) = 243 Density (g/cm³) = 1.01543 Volume (L) = 1.04675 - Viscosity (mPa s) = 0.88900 + Viscosity (mPa s) = 0.98895 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.532e-04 Mass of water (kg) = 9.988e-01 @@ -2125,10 +2125,10 @@ H2O(g) -0.29 5.106e-01 0.066 6.425e-02 7.108e-02 6.829e-03 pH = 3.072 Charge balance pe = 14.978 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 311 + Specific Conductance (µS/cm, 25°C) = 248 Density (g/cm³) = 1.01684 Volume (L) = 1.04648 - Viscosity (mPa s) = 0.88875 + Viscosity (mPa s) = 0.99076 Activity of water = 0.975 Ionic strength (mol/kgw) = 8.742e-04 Mass of water (kg) = 9.987e-01 @@ -2226,10 +2226,10 @@ H2O(g) -0.18 6.655e-01 0.052 7.108e-02 7.795e-02 6.869e-03 pH = 3.059 Charge balance pe = 15.552 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 320 + Specific Conductance (µS/cm, 25°C) = 254 Density (g/cm³) = 1.01866 Volume (L) = 1.04600 - Viscosity (mPa s) = 0.88844 + Viscosity (mPa s) = 0.99284 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.010e-04 Mass of water (kg) = 9.986e-01 @@ -2327,10 +2327,10 @@ H2O(g) -0.06 8.678e-01 0.041 7.795e-02 8.472e-02 6.772e-03 pH = 3.044 Charge balance pe = 16.115 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 333 + Specific Conductance (µS/cm, 25°C) = 263 Density (g/cm³) = 1.02093 Volume (L) = 1.04525 - Viscosity (mPa s) = 0.88812 + Viscosity (mPa s) = 0.99523 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.345e-04 Mass of water (kg) = 9.985e-01 @@ -2428,10 +2428,10 @@ H2O(g) 0.05 1.127e+00 0.033 8.472e-02 9.124e-02 6.514e-03 pH = 3.025 Charge balance pe = 16.133 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 349 + Specific Conductance (µS/cm, 25°C) = 273 Density (g/cm³) = 1.02376 Volume (L) = 1.04415 - Viscosity (mPa s) = 0.88780 + Viscosity (mPa s) = 0.99796 Activity of water = 0.973 Ionic strength (mol/kgw) = 9.763e-04 Mass of water (kg) = 9.983e-01 @@ -2529,10 +2529,10 @@ H2O(g) 0.16 1.455e+00 0.027 9.124e-02 9.730e-02 6.064e-03 pH = 3.003 Charge balance pe = 16.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 368 + Specific Conductance (µS/cm, 25°C) = 287 Density (g/cm³) = 1.02723 Volume (L) = 1.04258 - Viscosity (mPa s) = 0.88755 + Viscosity (mPa s) = 1.00108 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.028e-03 Mass of water (kg) = 9.982e-01 @@ -2630,10 +2630,10 @@ H2O(g) 0.27 1.863e+00 0.023 9.730e-02 1.027e-01 5.386e-03 pH = 2.976 Charge balance pe = 16.178 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 393 + Specific Conductance (µS/cm, 25°C) = 304 Density (g/cm³) = 1.03147 Volume (L) = 1.04041 - Viscosity (mPa s) = 0.88750 + Viscosity (mPa s) = 1.00471 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.094e-03 Mass of water (kg) = 9.981e-01 @@ -2731,10 +2731,10 @@ H2O(g) 0.37 2.361e+00 0.019 1.027e-01 1.071e-01 4.442e-03 pH = 2.945 Charge balance pe = 16.206 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 425 + Specific Conductance (µS/cm, 25°C) = 326 Density (g/cm³) = 1.03663 Volume (L) = 1.03747 - Viscosity (mPa s) = 0.88783 + Viscosity (mPa s) = 1.00901 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.176e-03 Mass of water (kg) = 9.980e-01 @@ -2933,10 +2933,10 @@ H2O(g) -0.85 1.400e-01 0.872 4.591e-03 5.717e-03 1.126e-03 pH = 3.402 Charge balance pe = 12.495 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 205 + Specific Conductance (µS/cm, 50°C) = 200 Density (g/cm³) = 0.99137 Volume (L) = 1.02222 - Viscosity (mPa s) = 0.54698 + Viscosity (mPa s) = 0.55428 Activity of water = 0.995 Ionic strength (mol/kgw) = 4.059e-04 Mass of water (kg) = 9.999e-01 @@ -3028,10 +3028,10 @@ H2O(g) -0.79 1.615e-01 0.761 5.717e-03 7.178e-03 1.461e-03 pH = 3.277 Charge balance pe = 2.454 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 270 + Specific Conductance (µS/cm, 50°C) = 258 Density (g/cm³) = 0.99409 Volume (L) = 1.03007 - Viscosity (mPa s) = 0.54734 + Viscosity (mPa s) = 0.56004 Activity of water = 0.991 Ionic strength (mol/kgw) = 5.432e-04 Mass of water (kg) = 9.999e-01 @@ -3123,10 +3123,10 @@ H2O(g) -0.73 1.861e-01 0.665 7.178e-03 9.044e-03 1.866e-03 pH = 3.215 Charge balance pe = 2.643 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 308 + Specific Conductance (µS/cm, 50°C) = 290 Density (g/cm³) = 0.99620 Volume (L) = 1.03584 - Viscosity (mPa s) = 0.54765 + Viscosity (mPa s) = 0.56435 Activity of water = 0.988 Ionic strength (mol/kgw) = 6.276e-04 Mass of water (kg) = 9.998e-01 @@ -3218,10 +3218,10 @@ H2O(g) -0.67 2.136e-01 0.583 9.044e-03 1.139e-02 2.342e-03 pH = 3.178 Charge balance pe = 12.681 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 333 + Specific Conductance (µS/cm, 50°C) = 310 Density (g/cm³) = 0.99780 Volume (L) = 1.03988 - Viscosity (mPa s) = 0.54791 + Viscosity (mPa s) = 0.56749 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.831e-04 Mass of water (kg) = 9.998e-01 @@ -3313,10 +3313,10 @@ H2O(g) -0.61 2.437e-01 0.514 1.139e-02 1.427e-02 2.881e-03 pH = 3.156 Charge balance pe = 12.723 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 349 + Specific Conductance (µS/cm, 50°C) = 322 Density (g/cm³) = 0.99898 Volume (L) = 1.04261 - Viscosity (mPa s) = 0.54813 + Viscosity (mPa s) = 0.56970 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.202e-04 Mass of water (kg) = 9.997e-01 @@ -3408,10 +3408,10 @@ H2O(g) -0.56 2.762e-01 0.456 1.427e-02 1.774e-02 3.477e-03 pH = 3.141 Charge balance pe = 12.654 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 359 + Specific Conductance (µS/cm, 50°C) = 331 Density (g/cm³) = 0.99985 Volume (L) = 1.04438 - Viscosity (mPa s) = 0.54831 + Viscosity (mPa s) = 0.57125 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.453e-04 Mass of water (kg) = 9.997e-01 @@ -3503,10 +3503,10 @@ H2O(g) -0.51 3.107e-01 0.407 1.774e-02 2.186e-02 4.119e-03 pH = 3.131 Charge balance pe = 2.402 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 367 + Specific Conductance (µS/cm, 50°C) = 336 Density (g/cm³) = 1.00049 Volume (L) = 1.04551 - Viscosity (mPa s) = 0.54846 + Viscosity (mPa s) = 0.57233 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.626e-04 Mass of water (kg) = 9.996e-01 @@ -3598,10 +3598,10 @@ H2O(g) -0.46 3.475e-01 0.365 2.186e-02 2.666e-02 4.799e-03 pH = 3.125 Charge balance pe = 12.650 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 372 + Specific Conductance (µS/cm, 50°C) = 340 Density (g/cm³) = 1.00098 Volume (L) = 1.04621 - Viscosity (mPa s) = 0.54858 + Viscosity (mPa s) = 0.57310 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.747e-04 Mass of water (kg) = 9.995e-01 @@ -3693,10 +3693,10 @@ H2O(g) -0.41 3.869e-01 0.329 2.666e-02 3.217e-02 5.510e-03 pH = 3.120 Charge balance pe = 12.901 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 376 + Specific Conductance (µS/cm, 50°C) = 343 Density (g/cm³) = 1.00135 Volume (L) = 1.04665 - Viscosity (mPa s) = 0.54868 + Viscosity (mPa s) = 0.57367 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.838e-04 Mass of water (kg) = 9.994e-01 @@ -3788,10 +3788,10 @@ H2O(g) -0.37 4.298e-01 0.297 3.217e-02 3.841e-02 6.243e-03 pH = 3.116 Charge balance pe = 12.991 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 379 + Specific Conductance (µS/cm, 50°C) = 346 Density (g/cm³) = 1.00168 Volume (L) = 1.04693 - Viscosity (mPa s) = 0.54877 + Viscosity (mPa s) = 0.57414 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.911e-04 Mass of water (kg) = 9.993e-01 @@ -3883,10 +3883,10 @@ H2O(g) -0.32 4.775e-01 0.268 3.841e-02 4.540e-02 6.987e-03 pH = 3.112 Charge balance pe = 12.971 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 382 + Specific Conductance (µS/cm, 50°C) = 348 Density (g/cm³) = 1.00199 Volume (L) = 1.04712 - Viscosity (mPa s) = 0.54887 + Viscosity (mPa s) = 0.57455 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.977e-04 Mass of water (kg) = 9.992e-01 @@ -3978,10 +3978,10 @@ H2O(g) -0.27 5.320e-01 0.241 4.540e-02 5.313e-02 7.732e-03 pH = 3.109 Charge balance pe = 12.832 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 385 + Specific Conductance (µS/cm, 50°C) = 350 Density (g/cm³) = 1.00231 Volume (L) = 1.04725 - Viscosity (mPa s) = 0.54897 + Viscosity (mPa s) = 0.57497 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.043e-04 Mass of water (kg) = 9.990e-01 @@ -4073,10 +4073,10 @@ H2O(g) -0.22 5.960e-01 0.216 5.313e-02 6.160e-02 8.464e-03 pH = 3.105 Charge balance pe = 12.852 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 388 + Specific Conductance (µS/cm, 50°C) = 353 Density (g/cm³) = 1.00268 Volume (L) = 1.04734 - Viscosity (mPa s) = 0.54910 + Viscosity (mPa s) = 0.57542 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.115e-04 Mass of water (kg) = 9.989e-01 @@ -4168,10 +4168,10 @@ H2O(g) -0.17 6.730e-01 0.192 6.160e-02 7.077e-02 9.169e-03 pH = 3.100 Charge balance pe = 12.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 391 + Specific Conductance (µS/cm, 50°C) = 356 Density (g/cm³) = 1.00313 Volume (L) = 1.04741 - Viscosity (mPa s) = 0.54926 + Viscosity (mPa s) = 0.57594 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.198e-04 Mass of water (kg) = 9.987e-01 @@ -4263,10 +4263,10 @@ H2O(g) -0.12 7.673e-01 0.170 7.077e-02 8.060e-02 9.828e-03 pH = 3.095 Charge balance pe = 13.004 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 396 + Specific Conductance (µS/cm, 50°C) = 359 Density (g/cm³) = 1.00368 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54946 + Viscosity (mPa s) = 0.57656 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.298e-04 Mass of water (kg) = 9.985e-01 @@ -4358,10 +4358,10 @@ H2O(g) -0.05 8.845e-01 0.148 8.060e-02 9.102e-02 1.042e-02 pH = 3.089 Charge balance pe = 13.053 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 401 + Specific Conductance (µS/cm, 50°C) = 363 Density (g/cm³) = 1.00438 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.54972 + Viscosity (mPa s) = 0.57730 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.417e-04 Mass of water (kg) = 9.983e-01 @@ -4453,10 +4453,10 @@ H2O(g) 0.01 1.031e+00 0.129 9.102e-02 1.020e-01 1.094e-02 pH = 3.082 Charge balance pe = 12.930 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 408 + Specific Conductance (µS/cm, 50°C) = 368 Density (g/cm³) = 1.00524 Volume (L) = 1.04738 - Viscosity (mPa s) = 0.55006 + Viscosity (mPa s) = 0.57818 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.561e-04 Mass of water (kg) = 9.981e-01 @@ -4548,10 +4548,10 @@ H2O(g) 0.08 1.215e+00 0.111 1.020e-01 1.133e-01 1.134e-02 pH = 3.073 Charge balance pe = 12.959 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 416 + Specific Conductance (µS/cm, 50°C) = 375 Density (g/cm³) = 1.00631 Volume (L) = 1.04724 - Viscosity (mPa s) = 0.55049 + Viscosity (mPa s) = 0.57924 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.735e-04 Mass of water (kg) = 9.979e-01 @@ -4643,10 +4643,10 @@ H2O(g) 0.16 1.445e+00 0.095 1.133e-01 1.249e-01 1.161e-02 pH = 3.063 Charge balance pe = 13.006 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 425 + Specific Conductance (µS/cm, 50°C) = 382 Density (g/cm³) = 1.00763 Volume (L) = 1.04697 - Viscosity (mPa s) = 0.55104 + Viscosity (mPa s) = 0.58051 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.944e-04 Mass of water (kg) = 9.977e-01 @@ -4738,10 +4738,10 @@ H2O(g) 0.24 1.731e+00 0.081 1.249e-01 1.366e-01 1.171e-02 pH = 3.051 Charge balance pe = 13.077 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 437 + Specific Conductance (µS/cm, 50°C) = 392 Density (g/cm³) = 1.00924 Volume (L) = 1.04656 - Viscosity (mPa s) = 0.55174 + Viscosity (mPa s) = 0.58202 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.196e-04 Mass of water (kg) = 9.975e-01 @@ -4833,10 +4833,10 @@ H2O(g) 0.32 2.086e+00 0.069 1.366e-01 1.482e-01 1.162e-02 pH = 3.037 Charge balance pe = 13.058 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 451 + Specific Conductance (µS/cm, 50°C) = 403 Density (g/cm³) = 1.01120 Volume (L) = 1.04594 - Viscosity (mPa s) = 0.55262 + Viscosity (mPa s) = 0.58381 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.498e-04 Mass of water (kg) = 9.973e-01 @@ -4935,10 +4935,10 @@ H2O(g) 0.40 2.523e+00 0.059 1.482e-01 1.595e-01 1.130e-02 pH = 3.021 Charge balance pe = 14.519 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 467 + Specific Conductance (µS/cm, 50°C) = 417 Density (g/cm³) = 1.01357 Volume (L) = 1.04507 - Viscosity (mPa s) = 0.55373 + Viscosity (mPa s) = 0.58594 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.860e-04 Mass of water (kg) = 9.971e-01 @@ -5037,10 +5037,10 @@ H2O(g) 0.48 3.055e+00 0.050 1.595e-01 1.702e-01 1.071e-02 pH = 3.003 Charge balance pe = 14.536 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 488 + Specific Conductance (µS/cm, 50°C) = 433 Density (g/cm³) = 1.01643 Volume (L) = 1.04387 - Viscosity (mPa s) = 0.55513 + Viscosity (mPa s) = 0.58847 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.030e-03 Mass of water (kg) = 9.969e-01 @@ -5139,10 +5139,10 @@ H2O(g) 0.57 3.696e+00 0.044 1.702e-01 1.801e-01 9.820e-03 pH = 2.981 Charge balance pe = 14.556 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 512 + Specific Conductance (µS/cm, 50°C) = 453 Density (g/cm³) = 1.01986 Volume (L) = 1.04226 - Viscosity (mPa s) = 0.55689 + Viscosity (mPa s) = 0.59149 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.082e-03 Mass of water (kg) = 9.967e-01 @@ -5241,10 +5241,10 @@ H2O(g) 0.65 4.463e+00 0.039 1.801e-01 1.886e-01 8.575e-03 pH = 2.957 Charge balance pe = 14.579 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 542 + Specific Conductance (µS/cm, 50°C) = 478 Density (g/cm³) = 1.02395 Volume (L) = 1.04014 - Viscosity (mPa s) = 0.55913 + Viscosity (mPa s) = 0.59512 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.146e-03 Mass of water (kg) = 9.966e-01 @@ -5343,10 +5343,10 @@ H2O(g) 0.73 5.366e+00 0.035 1.886e-01 1.956e-01 6.925e-03 pH = 2.929 Charge balance pe = 14.605 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 579 + Specific Conductance (µS/cm, 50°C) = 508 Density (g/cm³) = 1.02885 Volume (L) = 1.03737 - Viscosity (mPa s) = 0.56199 + Viscosity (mPa s) = 0.59951 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.223e-03 Mass of water (kg) = 9.965e-01 @@ -5445,10 +5445,10 @@ H2O(g) 0.81 6.418e+00 0.032 1.956e-01 2.004e-01 4.813e-03 pH = 2.897 Charge balance pe = 14.634 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 50°C) = 623 + Specific Conductance (µS/cm, 50°C) = 544 Density (g/cm³) = 1.03468 Volume (L) = 1.03381 - Viscosity (mPa s) = 0.56567 + Viscosity (mPa s) = 0.60489 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.318e-03 Mass of water (kg) = 9.964e-01 @@ -5647,10 +5647,10 @@ H2O(g) -0.36 4.356e-01 0.874 1.332e-02 1.642e-02 3.100e-03 pH = 3.465 Charge balance pe = 10.797 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 215 + Specific Conductance (µS/cm, 75°C) = 212 Density (g/cm³) = 0.97762 Volume (L) = 1.03384 - Viscosity (mPa s) = 0.37804 + Viscosity (mPa s) = 0.38077 Activity of water = 0.996 Ionic strength (mol/kgw) = 3.505e-04 Mass of water (kg) = 9.997e-01 @@ -5742,10 +5742,10 @@ H2O(g) -0.30 4.993e-01 0.769 1.642e-02 2.026e-02 3.838e-03 pH = 3.339 Charge balance pe = 2.019 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 285 + Specific Conductance (µS/cm, 75°C) = 278 Density (g/cm³) = 0.97995 Volume (L) = 1.04028 - Viscosity (mPa s) = 0.37856 + Viscosity (mPa s) = 0.38321 Activity of water = 0.993 Ionic strength (mol/kgw) = 4.703e-04 Mass of water (kg) = 9.996e-01 @@ -5837,10 +5837,10 @@ H2O(g) -0.24 5.707e-01 0.679 2.026e-02 2.494e-02 4.679e-03 pH = 3.275 Charge balance pe = 1.995 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 327 + Specific Conductance (µS/cm, 75°C) = 317 Density (g/cm³) = 0.98185 Volume (L) = 1.04514 - Viscosity (mPa s) = 0.37903 + Viscosity (mPa s) = 0.38513 Activity of water = 0.990 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.995e-01 @@ -5932,10 +5932,10 @@ H2O(g) -0.19 6.497e-01 0.601 2.494e-02 3.056e-02 5.615e-03 pH = 3.236 Charge balance pe = 2.005 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 356 + Specific Conductance (µS/cm, 75°C) = 343 Density (g/cm³) = 0.98339 Volume (L) = 1.04871 - Viscosity (mPa s) = 0.37944 + Viscosity (mPa s) = 0.38664 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.986e-04 Mass of water (kg) = 9.994e-01 @@ -6027,10 +6027,10 @@ H2O(g) -0.13 7.364e-01 0.534 3.056e-02 3.718e-02 6.627e-03 pH = 3.209 Charge balance pe = 1.984 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 376 + Specific Conductance (µS/cm, 75°C) = 361 Density (g/cm³) = 0.98464 Volume (L) = 1.05128 - Viscosity (mPa s) = 0.37980 + Viscosity (mPa s) = 0.38784 Activity of water = 0.987 Ionic strength (mol/kgw) = 6.364e-04 Mass of water (kg) = 9.993e-01 @@ -6122,10 +6122,10 @@ H2O(g) -0.08 8.308e-01 0.476 3.718e-02 4.488e-02 7.699e-03 pH = 3.191 Charge balance pe = 1.945 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 391 + Specific Conductance (µS/cm, 75°C) = 374 Density (g/cm³) = 0.98568 Volume (L) = 1.05312 - Viscosity (mPa s) = 0.38013 + Viscosity (mPa s) = 0.38879 Activity of water = 0.986 Ionic strength (mol/kgw) = 6.648e-04 Mass of water (kg) = 9.992e-01 @@ -6217,10 +6217,10 @@ H2O(g) -0.03 9.337e-01 0.426 4.488e-02 5.370e-02 8.815e-03 pH = 3.177 Charge balance pe = 1.879 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 402 + Specific Conductance (µS/cm, 75°C) = 384 Density (g/cm³) = 0.98654 Volume (L) = 1.05442 - Viscosity (mPa s) = 0.38042 + Viscosity (mPa s) = 0.38958 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.867e-04 Mass of water (kg) = 9.990e-01 @@ -6312,10 +6312,10 @@ H2O(g) 0.02 1.046e+00 0.383 5.370e-02 6.365e-02 9.958e-03 pH = 3.166 Charge balance pe = 1.968 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 411 + Specific Conductance (µS/cm, 75°C) = 392 Density (g/cm³) = 0.98730 Volume (L) = 1.05534 - Viscosity (mPa s) = 0.38069 + Viscosity (mPa s) = 0.39025 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.045e-04 Mass of water (kg) = 9.988e-01 @@ -6407,10 +6407,10 @@ H2O(g) 0.07 1.170e+00 0.344 6.365e-02 7.477e-02 1.111e-02 pH = 3.157 Charge balance pe = 2.153 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 419 + Specific Conductance (µS/cm, 75°C) = 399 Density (g/cm³) = 0.98799 Volume (L) = 1.05600 - Viscosity (mPa s) = 0.38095 + Viscosity (mPa s) = 0.39085 Activity of water = 0.984 Ionic strength (mol/kgw) = 7.197e-04 Mass of water (kg) = 9.986e-01 @@ -6502,10 +6502,10 @@ H2O(g) 0.12 1.308e+00 0.310 7.477e-02 8.703e-02 1.226e-02 pH = 3.149 Charge balance pe = 2.246 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 426 + Specific Conductance (µS/cm, 75°C) = 405 Density (g/cm³) = 0.98864 Volume (L) = 1.05647 - Viscosity (mPa s) = 0.38121 + Viscosity (mPa s) = 0.39140 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.333e-04 Mass of water (kg) = 9.984e-01 @@ -6597,10 +6597,10 @@ H2O(g) 0.17 1.463e+00 0.278 8.703e-02 1.004e-01 1.338e-02 pH = 3.141 Charge balance pe = 2.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 433 + Specific Conductance (µS/cm, 75°C) = 410 Density (g/cm³) = 0.98930 Volume (L) = 1.05681 - Viscosity (mPa s) = 0.38149 + Viscosity (mPa s) = 0.39195 Activity of water = 0.983 Ionic strength (mol/kgw) = 7.462e-04 Mass of water (kg) = 9.982e-01 @@ -6692,10 +6692,10 @@ H2O(g) 0.21 1.640e+00 0.250 1.004e-01 1.149e-01 1.446e-02 pH = 3.134 Charge balance pe = 1.950 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 440 + Specific Conductance (µS/cm, 75°C) = 416 Density (g/cm³) = 0.98999 Volume (L) = 1.05704 - Viscosity (mPa s) = 0.38179 + Viscosity (mPa s) = 0.39252 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.592e-04 Mass of water (kg) = 9.979e-01 @@ -6787,10 +6787,10 @@ H2O(g) 0.27 1.845e+00 0.224 1.149e-01 1.303e-01 1.547e-02 pH = 3.126 Charge balance pe = 1.990 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 447 + Specific Conductance (µS/cm, 75°C) = 422 Density (g/cm³) = 0.99075 Volume (L) = 1.05719 - Viscosity (mPa s) = 0.38213 + Viscosity (mPa s) = 0.39313 Activity of water = 0.982 Ionic strength (mol/kgw) = 7.726e-04 Mass of water (kg) = 9.976e-01 @@ -6882,10 +6882,10 @@ H2O(g) 0.32 2.085e+00 0.200 1.303e-01 1.467e-01 1.639e-02 pH = 3.118 Charge balance pe = 2.109 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 454 + Specific Conductance (µS/cm, 75°C) = 429 Density (g/cm³) = 0.99159 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38252 + Viscosity (mPa s) = 0.39380 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.871e-04 Mass of water (kg) = 9.973e-01 @@ -6977,10 +6977,10 @@ H2O(g) 0.37 2.368e+00 0.178 1.467e-01 1.639e-01 1.719e-02 pH = 3.110 Charge balance pe = 2.181 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 462 + Specific Conductance (µS/cm, 75°C) = 436 Density (g/cm³) = 0.99256 Volume (L) = 1.05726 - Viscosity (mPa s) = 0.38298 + Viscosity (mPa s) = 0.39456 Activity of water = 0.981 Ionic strength (mol/kgw) = 8.031e-04 Mass of water (kg) = 9.970e-01 @@ -7072,10 +7072,10 @@ H2O(g) 0.43 2.704e+00 0.158 1.639e-01 1.818e-01 1.784e-02 pH = 3.100 Charge balance pe = 2.157 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 472 + Specific Conductance (µS/cm, 75°C) = 444 Density (g/cm³) = 0.99369 Volume (L) = 1.05716 - Viscosity (mPa s) = 0.38353 + Viscosity (mPa s) = 0.39544 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.210e-04 Mass of water (kg) = 9.967e-01 @@ -7167,10 +7167,10 @@ H2O(g) 0.49 3.103e+00 0.140 1.818e-01 2.001e-01 1.830e-02 pH = 3.090 Charge balance pe = 2.124 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 482 + Specific Conductance (µS/cm, 75°C) = 454 Density (g/cm³) = 0.99500 Volume (L) = 1.05696 - Viscosity (mPa s) = 0.38420 + Viscosity (mPa s) = 0.39646 Activity of water = 0.980 Ionic strength (mol/kgw) = 8.413e-04 Mass of water (kg) = 9.964e-01 @@ -7262,10 +7262,10 @@ H2O(g) 0.55 3.579e+00 0.123 2.001e-01 2.186e-01 1.854e-02 pH = 3.078 Charge balance pe = 2.151 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 495 + Specific Conductance (µS/cm, 75°C) = 464 Density (g/cm³) = 0.99654 Volume (L) = 1.05664 - Viscosity (mPa s) = 0.38499 + Viscosity (mPa s) = 0.39764 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.646e-04 Mass of water (kg) = 9.960e-01 @@ -7357,10 +7357,10 @@ H2O(g) 0.62 4.146e+00 0.109 2.186e-01 2.371e-01 1.851e-02 pH = 3.065 Charge balance pe = 2.230 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 509 + Specific Conductance (µS/cm, 75°C) = 477 Density (g/cm³) = 0.99835 Volume (L) = 1.05616 - Viscosity (mPa s) = 0.38595 + Viscosity (mPa s) = 0.39903 Activity of water = 0.979 Ionic strength (mol/kgw) = 8.914e-04 Mass of water (kg) = 9.957e-01 @@ -7452,10 +7452,10 @@ H2O(g) 0.68 4.819e+00 0.096 2.371e-01 2.553e-01 1.819e-02 pH = 3.050 Charge balance pe = 2.295 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 525 + Specific Conductance (µS/cm, 75°C) = 491 Density (g/cm³) = 1.00048 Volume (L) = 1.05549 - Viscosity (mPa s) = 0.38711 + Viscosity (mPa s) = 0.40067 Activity of water = 0.978 Ionic strength (mol/kgw) = 9.224e-04 Mass of water (kg) = 9.954e-01 @@ -7554,10 +7554,10 @@ H2O(g) 0.75 5.616e+00 0.085 2.553e-01 2.728e-01 1.752e-02 pH = 3.034 Charge balance pe = 12.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 544 + Specific Conductance (µS/cm, 75°C) = 508 Density (g/cm³) = 1.00298 Volume (L) = 1.05459 - Viscosity (mPa s) = 0.38850 + Viscosity (mPa s) = 0.40259 Activity of water = 0.977 Ionic strength (mol/kgw) = 9.585e-04 Mass of water (kg) = 9.951e-01 @@ -7656,10 +7656,10 @@ H2O(g) 0.82 6.552e+00 0.076 2.728e-01 2.893e-01 1.646e-02 pH = 3.016 Charge balance pe = 12.359 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 567 + Specific Conductance (µS/cm, 75°C) = 527 Density (g/cm³) = 1.00591 Volume (L) = 1.05341 - Viscosity (mPa s) = 0.39018 + Viscosity (mPa s) = 0.40486 Activity of water = 0.977 Ionic strength (mol/kgw) = 1.001e-03 Mass of water (kg) = 9.948e-01 @@ -7758,10 +7758,10 @@ H2O(g) 0.88 7.646e+00 0.068 2.893e-01 3.042e-01 1.496e-02 pH = 2.995 Charge balance pe = 12.378 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 593 + Specific Conductance (µS/cm, 75°C) = 550 Density (g/cm³) = 1.00936 Volume (L) = 1.05188 - Viscosity (mPa s) = 0.39221 + Viscosity (mPa s) = 0.40754 Activity of water = 0.976 Ionic strength (mol/kgw) = 1.050e-03 Mass of water (kg) = 9.945e-01 @@ -7860,10 +7860,10 @@ H2O(g) 0.95 8.913e+00 0.062 3.042e-01 3.172e-01 1.297e-02 pH = 2.972 Charge balance pe = 12.400 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 624 + Specific Conductance (µS/cm, 75°C) = 577 Density (g/cm³) = 1.01339 Volume (L) = 1.04992 - Viscosity (mPa s) = 0.39467 + Viscosity (mPa s) = 0.41073 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.108e-03 Mass of water (kg) = 9.943e-01 @@ -7962,10 +7962,10 @@ H2O(g) 1.02 1.037e+01 0.057 3.172e-01 3.276e-01 1.043e-02 pH = 2.946 Charge balance pe = 12.424 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 660 + Specific Conductance (µS/cm, 75°C) = 609 Density (g/cm³) = 1.01812 Volume (L) = 1.04745 - Viscosity (mPa s) = 0.39767 + Viscosity (mPa s) = 0.41454 Activity of water = 0.974 Ionic strength (mol/kgw) = 1.177e-03 Mass of water (kg) = 9.941e-01 @@ -8064,10 +8064,10 @@ H2O(g) 1.08 1.202e+01 0.053 3.276e-01 3.349e-01 7.291e-03 pH = 2.917 Charge balance pe = 12.450 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 704 + Specific Conductance (µS/cm, 75°C) = 646 Density (g/cm³) = 1.02365 Volume (L) = 1.04435 - Viscosity (mPa s) = 0.40132 + Viscosity (mPa s) = 0.41910 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.259e-03 Mass of water (kg) = 9.939e-01 @@ -8166,10 +8166,10 @@ H2O(g) 1.14 1.386e+01 0.051 3.349e-01 3.384e-01 3.493e-03 pH = 2.885 Charge balance pe = 12.480 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 75°C) = 756 + Specific Conductance (µS/cm, 75°C) = 692 Density (g/cm³) = 1.03011 Volume (L) = 1.04050 - Viscosity (mPa s) = 0.40581 + Viscosity (mPa s) = 0.42462 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.357e-03 Mass of water (kg) = 9.939e-01 @@ -8368,10 +8368,10 @@ H2O(g) 0.06 1.139e+00 0.877 3.285e-02 3.984e-02 6.990e-03 pH = 3.544 Charge balance pe = 9.305 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 206 + Specific Conductance (µS/cm, 100°C) = 204 Density (g/cm³) = 0.96086 Volume (L) = 1.05014 - Viscosity (mPa s) = 0.28228 + Viscosity (mPa s) = 0.28373 Activity of water = 0.996 Ionic strength (mol/kgw) = 2.920e-04 Mass of water (kg) = 9.993e-01 @@ -8463,10 +8463,10 @@ H2O(g) 0.11 1.294e+00 0.779 3.984e-02 4.816e-02 8.320e-03 pH = 3.416 Charge balance pe = 2.060 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 273 + Specific Conductance (µS/cm, 100°C) = 269 Density (g/cm³) = 0.96303 Volume (L) = 1.05598 - Viscosity (mPa s) = 0.28288 + Viscosity (mPa s) = 0.28529 Activity of water = 0.993 Ionic strength (mol/kgw) = 3.941e-04 Mass of water (kg) = 9.991e-01 @@ -8558,10 +8558,10 @@ H2O(g) 0.17 1.465e+00 0.695 4.816e-02 5.795e-02 9.787e-03 pH = 3.348 Charge balance pe = 9.623 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 316 + Specific Conductance (µS/cm, 100°C) = 310 Density (g/cm³) = 0.96489 Volume (L) = 1.06054 - Viscosity (mPa s) = 0.28342 + Viscosity (mPa s) = 0.28657 Activity of water = 0.991 Ionic strength (mol/kgw) = 4.610e-04 Mass of water (kg) = 9.989e-01 @@ -8653,10 +8653,10 @@ H2O(g) 0.22 1.653e+00 0.621 5.795e-02 6.931e-02 1.136e-02 pH = 3.306 Charge balance pe = 9.528 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 346 + Specific Conductance (µS/cm, 100°C) = 338 Density (g/cm³) = 0.96649 Volume (L) = 1.06404 - Viscosity (mPa s) = 0.28391 + Viscosity (mPa s) = 0.28765 Activity of water = 0.989 Ionic strength (mol/kgw) = 5.093e-04 Mass of water (kg) = 9.987e-01 @@ -8748,10 +8748,10 @@ H2O(g) 0.27 1.859e+00 0.557 6.931e-02 8.231e-02 1.301e-02 pH = 3.276 Charge balance pe = 2.016 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 369 + Specific Conductance (µS/cm, 100°C) = 359 Density (g/cm³) = 0.96788 Volume (L) = 1.06668 - Viscosity (mPa s) = 0.28436 + Viscosity (mPa s) = 0.28858 Activity of water = 0.988 Ionic strength (mol/kgw) = 5.462e-04 Mass of water (kg) = 9.985e-01 @@ -8843,10 +8843,10 @@ H2O(g) 0.32 2.085e+00 0.501 8.231e-02 9.701e-02 1.470e-02 pH = 3.253 Charge balance pe = 1.941 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 386 + Specific Conductance (µS/cm, 100°C) = 375 Density (g/cm³) = 0.96910 Volume (L) = 1.06867 - Viscosity (mPa s) = 0.28479 + Viscosity (mPa s) = 0.28939 Activity of water = 0.986 Ionic strength (mol/kgw) = 5.755e-04 Mass of water (kg) = 9.982e-01 @@ -8938,10 +8938,10 @@ H2O(g) 0.37 2.333e+00 0.451 9.701e-02 1.134e-01 1.641e-02 pH = 3.236 Charge balance pe = 1.889 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 400 + Specific Conductance (µS/cm, 100°C) = 388 Density (g/cm³) = 0.97021 Volume (L) = 1.07015 - Viscosity (mPa s) = 0.28519 + Viscosity (mPa s) = 0.29012 Activity of water = 0.985 Ionic strength (mol/kgw) = 5.997e-04 Mass of water (kg) = 9.979e-01 @@ -9033,10 +9033,10 @@ H2O(g) 0.42 2.605e+00 0.407 1.134e-01 1.315e-01 1.811e-02 pH = 3.221 Charge balance pe = 1.824 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 413 + Specific Conductance (µS/cm, 100°C) = 399 Density (g/cm³) = 0.97124 Volume (L) = 1.07126 - Viscosity (mPa s) = 0.28558 + Viscosity (mPa s) = 0.29079 Activity of water = 0.985 Ionic strength (mol/kgw) = 6.205e-04 Mass of water (kg) = 9.976e-01 @@ -9128,10 +9128,10 @@ H2O(g) 0.46 2.906e+00 0.368 1.315e-01 1.513e-01 1.977e-02 pH = 3.208 Charge balance pe = 1.845 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 423 + Specific Conductance (µS/cm, 100°C) = 409 Density (g/cm³) = 0.97222 Volume (L) = 1.07208 - Viscosity (mPa s) = 0.28597 + Viscosity (mPa s) = 0.29143 Activity of water = 0.984 Ionic strength (mol/kgw) = 6.392e-04 Mass of water (kg) = 9.973e-01 @@ -9223,10 +9223,10 @@ H2O(g) 0.51 3.242e+00 0.332 1.513e-01 1.727e-01 2.137e-02 pH = 3.197 Charge balance pe = 1.796 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 434 + Specific Conductance (µS/cm, 100°C) = 418 Density (g/cm³) = 0.97320 Volume (L) = 1.07268 - Viscosity (mPa s) = 0.28637 + Viscosity (mPa s) = 0.29206 Activity of water = 0.983 Ionic strength (mol/kgw) = 6.566e-04 Mass of water (kg) = 9.969e-01 @@ -9318,10 +9318,10 @@ H2O(g) 0.56 3.618e+00 0.300 1.727e-01 1.955e-01 2.287e-02 pH = 3.186 Charge balance pe = 1.849 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 443 + Specific Conductance (µS/cm, 100°C) = 426 Density (g/cm³) = 0.97420 Volume (L) = 1.07311 - Viscosity (mPa s) = 0.28679 + Viscosity (mPa s) = 0.29270 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.734e-04 Mass of water (kg) = 9.965e-01 @@ -9413,10 +9413,10 @@ H2O(g) 0.61 4.045e+00 0.271 1.955e-01 2.198e-01 2.424e-02 pH = 3.175 Charge balance pe = 1.832 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 453 + Specific Conductance (µS/cm, 100°C) = 435 Density (g/cm³) = 0.97525 Volume (L) = 1.07339 - Viscosity (mPa s) = 0.28725 + Viscosity (mPa s) = 0.29338 Activity of water = 0.982 Ionic strength (mol/kgw) = 6.903e-04 Mass of water (kg) = 9.960e-01 @@ -9508,10 +9508,10 @@ H2O(g) 0.66 4.530e+00 0.245 2.198e-01 2.452e-01 2.545e-02 pH = 3.165 Charge balance pe = 1.850 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 463 + Specific Conductance (µS/cm, 100°C) = 444 Density (g/cm³) = 0.97639 Volume (L) = 1.07355 - Viscosity (mPa s) = 0.28776 + Viscosity (mPa s) = 0.29410 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.077e-04 Mass of water (kg) = 9.956e-01 @@ -9603,10 +9603,10 @@ H2O(g) 0.71 5.087e+00 0.221 2.452e-01 2.717e-01 2.646e-02 pH = 3.154 Charge balance pe = 1.840 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 474 + Specific Conductance (µS/cm, 100°C) = 454 Density (g/cm³) = 0.97763 Volume (L) = 1.07359 - Viscosity (mPa s) = 0.28833 + Viscosity (mPa s) = 0.29491 Activity of water = 0.981 Ionic strength (mol/kgw) = 7.261e-04 Mass of water (kg) = 9.951e-01 @@ -9698,10 +9698,10 @@ H2O(g) 0.76 5.727e+00 0.199 2.717e-01 2.989e-01 2.722e-02 pH = 3.142 Charge balance pe = 1.755 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 485 + Specific Conductance (µS/cm, 100°C) = 464 Density (g/cm³) = 0.97902 Volume (L) = 1.07352 - Viscosity (mPa s) = 0.28899 + Viscosity (mPa s) = 0.29580 Activity of water = 0.980 Ionic strength (mol/kgw) = 7.459e-04 Mass of water (kg) = 9.946e-01 @@ -9793,10 +9793,10 @@ H2O(g) 0.81 6.466e+00 0.179 2.989e-01 3.266e-01 2.770e-02 pH = 3.130 Charge balance pe = 1.795 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 497 + Specific Conductance (µS/cm, 100°C) = 475 Density (g/cm³) = 0.98059 Volume (L) = 1.07333 - Viscosity (mPa s) = 0.28974 + Viscosity (mPa s) = 0.29681 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.676e-04 Mass of water (kg) = 9.941e-01 @@ -9888,10 +9888,10 @@ H2O(g) 0.86 7.319e+00 0.161 3.266e-01 3.544e-01 2.783e-02 pH = 3.117 Charge balance pe = 1.787 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 511 + Specific Conductance (µS/cm, 100°C) = 488 Density (g/cm³) = 0.98238 Volume (L) = 1.07300 - Viscosity (mPa s) = 0.29062 + Viscosity (mPa s) = 0.29796 Activity of water = 0.979 Ionic strength (mol/kgw) = 7.916e-04 Mass of water (kg) = 9.936e-01 @@ -9983,10 +9983,10 @@ H2O(g) 0.92 8.305e+00 0.145 3.544e-01 3.820e-01 2.758e-02 pH = 3.102 Charge balance pe = 1.799 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 526 + Specific Conductance (µS/cm, 100°C) = 501 Density (g/cm³) = 0.98441 Volume (L) = 1.07253 - Viscosity (mPa s) = 0.29164 + Viscosity (mPa s) = 0.29928 Activity of water = 0.978 Ionic strength (mol/kgw) = 8.184e-04 Mass of water (kg) = 9.931e-01 @@ -10078,10 +10078,10 @@ H2O(g) 0.98 9.442e+00 0.131 3.820e-01 4.089e-01 2.690e-02 pH = 3.087 Charge balance pe = 1.822 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 544 + Specific Conductance (µS/cm, 100°C) = 517 Density (g/cm³) = 0.98675 Volume (L) = 1.07187 - Viscosity (mPa s) = 0.29284 + Viscosity (mPa s) = 0.30081 Activity of water = 0.977 Ionic strength (mol/kgw) = 8.487e-04 Mass of water (kg) = 9.926e-01 @@ -10173,10 +10173,10 @@ H2O(g) 1.03 1.075e+01 0.119 4.089e-01 4.347e-01 2.572e-02 pH = 3.070 Charge balance pe = 1.820 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 563 + Specific Conductance (µS/cm, 100°C) = 534 Density (g/cm³) = 0.98942 Volume (L) = 1.07102 - Viscosity (mPa s) = 0.29424 + Viscosity (mPa s) = 0.30257 Activity of water = 0.976 Ionic strength (mol/kgw) = 8.829e-04 Mass of water (kg) = 9.922e-01 @@ -10275,10 +10275,10 @@ H2O(g) 1.09 1.225e+01 0.108 4.347e-01 4.587e-01 2.401e-02 pH = 3.051 Charge balance pe = 1.790 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 586 + Specific Conductance (µS/cm, 100°C) = 554 Density (g/cm³) = 0.99250 Volume (L) = 1.06991 - Viscosity (mPa s) = 0.29588 + Viscosity (mPa s) = 0.30462 Activity of water = 0.975 Ionic strength (mol/kgw) = 9.220e-04 Mass of water (kg) = 9.917e-01 @@ -10377,10 +10377,10 @@ H2O(g) 1.14 1.395e+01 0.099 4.587e-01 4.804e-01 2.170e-02 pH = 3.031 Charge balance pe = 1.764 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 611 + Specific Conductance (µS/cm, 100°C) = 577 Density (g/cm³) = 0.99605 Volume (L) = 1.06852 - Viscosity (mPa s) = 0.29782 + Viscosity (mPa s) = 0.30700 Activity of water = 0.974 Ionic strength (mol/kgw) = 9.668e-04 Mass of water (kg) = 9.913e-01 @@ -10479,10 +10479,10 @@ H2O(g) 1.20 1.588e+01 0.091 4.804e-01 4.991e-01 1.875e-02 pH = 3.009 Charge balance pe = 11.341 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 640 + Specific Conductance (µS/cm, 100°C) = 603 Density (g/cm³) = 1.00012 Volume (L) = 1.06679 - Viscosity (mPa s) = 0.30011 + Viscosity (mPa s) = 0.30979 Activity of water = 0.973 Ionic strength (mol/kgw) = 1.018e-03 Mass of water (kg) = 9.910e-01 @@ -10581,10 +10581,10 @@ H2O(g) 1.26 1.804e+01 0.085 4.991e-01 5.142e-01 1.511e-02 pH = 2.984 Charge balance pe = 11.364 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 674 + Specific Conductance (µS/cm, 100°C) = 633 Density (g/cm³) = 1.00480 Volume (L) = 1.06465 - Viscosity (mPa s) = 0.30281 + Viscosity (mPa s) = 0.31305 Activity of water = 0.972 Ionic strength (mol/kgw) = 1.078e-03 Mass of water (kg) = 9.907e-01 @@ -10683,10 +10683,10 @@ H2O(g) 1.31 2.044e+01 0.081 5.142e-01 5.250e-01 1.075e-02 pH = 2.958 Charge balance pe = 11.389 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 713 + Specific Conductance (µS/cm, 100°C) = 667 Density (g/cm³) = 1.01017 Volume (L) = 1.06205 - Viscosity (mPa s) = 0.30601 + Viscosity (mPa s) = 0.31688 Activity of water = 0.971 Ionic strength (mol/kgw) = 1.147e-03 Mass of water (kg) = 9.905e-01 @@ -10785,10 +10785,10 @@ H2O(g) 1.36 2.308e+01 0.078 5.250e-01 5.306e-01 5.633e-03 pH = 2.929 Charge balance pe = 11.416 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 758 + Specific Conductance (µS/cm, 100°C) = 707 Density (g/cm³) = 1.01630 Volume (L) = 1.05892 - Viscosity (mPa s) = 0.30979 + Viscosity (mPa s) = 0.32137 Activity of water = 0.970 Ionic strength (mol/kgw) = 1.228e-03 Mass of water (kg) = 9.904e-01 @@ -10887,10 +10887,10 @@ H2O(g) 1.41 2.593e+01 0.076 5.306e-01 5.304e-01 -2.391e-04 pH = 2.897 Charge balance pe = 11.445 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 100°C) = 810 + Specific Conductance (µS/cm, 100°C) = 753 Density (g/cm³) = 1.02323 Volume (L) = 1.05524 - Viscosity (mPa s) = 0.31423 + Viscosity (mPa s) = 0.32662 Activity of water = 0.969 Ionic strength (mol/kgw) = 1.323e-03 Mass of water (kg) = 9.904e-01 diff --git a/ex3.out b/ex3.out index 902dd6ec2..3671a05c0 100644 --- a/ex3.out +++ b/ex3.out @@ -121,7 +121,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03 Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 0.99726 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89219 + Viscosity (mPa s) = 0.89272 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.826e-03 Mass of water (kg) = 1.000e+00 @@ -232,7 +232,7 @@ Initial solution 2. Seawater Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96029 + Viscosity (mPa s) = 0.96030 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 @@ -291,7 +291,6 @@ Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 - NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 @@ -389,11 +388,11 @@ Mixture 1. ----------------------------Description of solution---------------------------- pH = 7.327 Charge balance - pe = 10.559 Adjusted to redox equilibrium + pe = 10.560 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18310 Density (g/cm³) = 1.00526 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91373 + Viscosity (mPa s) = 0.91375 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.068e-01 Mass of water (kg) = 1.000e+00 @@ -415,7 +414,7 @@ Mixture 1. H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.397 -122.377 0.021 35.46 C(4) 3.175e-03 HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15 CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43 @@ -437,8 +436,8 @@ Ca 4.334e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0) -H(0) 2.284e-39 - H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61 +H(0) 2.281e-39 + H2 1.140e-39 1.196e-39 -38.943 -38.922 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03 @@ -454,14 +453,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73 - NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0) -O(0) 5.475e-15 - O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40 +O(0) 5.492e-15 + O2 2.746e-15 2.880e-15 -14.561 -14.541 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27 - S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.522 -119.674 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.080 -120.059 0.021 36.27 + S-2 0.000e+00 0.000e+00 -124.735 -125.266 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.417 -241.396 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 @@ -484,7 +482,7 @@ Si 2.215e-05 Aragonite -0.27 -8.60 -8.34 CaCO3 Arcanite -6.35 -8.23 -1.88 K2SO4 Calcite -0.12 -8.60 -8.48 CaCO3 - CH4(g) -119.57 -122.37 -2.80 CH4 + CH4(g) -119.57 -122.38 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4 CO2(g) -2.21 -3.68 -1.47 CO2 @@ -503,7 +501,7 @@ Si 2.215e-05 Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 - Sulfur -89.17 -84.28 4.88 S + Sulfur -89.17 -84.29 4.88 S Sylvite -4.47 -3.57 0.90 KCl Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 @@ -565,10 +563,10 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 pH = 7.047 Charge balance pe = 10.927 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18479 + Specific Conductance (µS/cm, 25°C) = 18478 Density (g/cm³) = 1.00533 Volume (L) = 1.00583 - Viscosity (mPa s) = 0.91249 + Viscosity (mPa s) = 0.91253 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.071e-01 Mass of water (kg) = 1.000e+00 @@ -590,7 +588,7 @@ Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46 + CH4 0.000e+00 0.000e+00 -122.863 -122.843 0.021 35.46 C(4) 3.016e-03 HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15 CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43 @@ -612,8 +610,8 @@ Ca 1.196e-02 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0) -H(0) 1.519e-39 - H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.518e-39 + H2 7.590e-40 7.961e-40 -39.120 -39.099 0.021 28.61 K 3.173e-03 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03 @@ -629,14 +627,13 @@ Na 1.456e-01 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73 - NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0) -O(0) 1.238e-14 - O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40 +O(0) 1.239e-14 + O2 6.197e-15 6.500e-15 -14.208 -14.187 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.937 -120.090 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.216 -120.195 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.429 -125.961 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.689 -241.669 0.021 30.09 S(6) 8.777e-03 SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43 NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 @@ -673,7 +670,7 @@ Si 2.215e-05 Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O Kieserite -4.32 -5.48 -1.16 MgSO4:H2O Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O - O2(g) -11.30 -14.19 -2.89 O2 + O2(g) -11.29 -14.19 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O @@ -738,10 +735,10 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 pH = 7.433 Charge balance pe = 10.542 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18315 + Specific Conductance (µS/cm, 25°C) = 18314 Density (g/cm³) = 1.00527 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91380 + Viscosity (mPa s) = 0.91382 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.069e-01 Mass of water (kg) = 1.000e+00 @@ -763,7 +760,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46 + CH4 0.000e+00 0.000e+00 -123.203 -123.182 0.021 35.46 C(4) 3.221e-03 HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 @@ -785,8 +782,8 @@ Ca 4.380e-03 Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0) -H(0) 1.517e-39 - H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61 +H(0) 1.515e-39 + H2 7.577e-40 7.946e-40 -39.121 -39.100 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03 @@ -802,14 +799,13 @@ Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 - NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0) -O(0) 1.242e-14 - O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40 +O(0) 1.244e-14 + O2 6.221e-15 6.524e-15 -14.206 -14.185 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27 - S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09 + HS- 0.000e+00 0.000e+00 -120.339 -120.491 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -121.003 -120.983 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.445 -125.976 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -243.264 -243.243 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43 NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 diff --git a/ex4.out b/ex4.out index f72a74460..1eb01521d 100644 --- a/ex4.out +++ b/ex4.out @@ -143,7 +143,6 @@ Na 6.133e-06 Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51 NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 - NaOH 1.941e-25 1.941e-25 -24.712 -24.712 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40 S(6) 1.353e-05 @@ -226,7 +225,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 0.05017 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 5.002e-02 @@ -297,7 +296,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 @@ -397,7 +395,7 @@ Mixture 1. Specific Conductance (µS/cm, 25°C) = 292 Density (g/cm³) = 0.99709 Volume (L) = 1.00332 - Viscosity (mPa s) = 0.89045 + Viscosity (mPa s) = 0.89048 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.529e-03 Mass of water (kg) = 1.000e+00 @@ -468,7 +466,6 @@ Na 1.226e-04 Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47 NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 - NaOH 1.666e-25 1.667e-25 -24.778 -24.778 0.000 (0) O(0) 8.552e-08 O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40 S(-2) 0.000e+00 diff --git a/ex5.out b/ex5.out index 7c0c909f6..4a57105fc 100644 --- a/ex5.out +++ b/ex5.out @@ -165,7 +165,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.140e-08 Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89093 + Viscosity (mPa s) = 0.89095 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 @@ -326,7 +326,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 Specific Conductance (µS/cm, 25°C) = 271 Density (g/cm³) = 0.99719 Volume (L) = 1.00298 - Viscosity (mPa s) = 0.89164 + Viscosity (mPa s) = 0.89165 Activity of water = 1.000 Ionic strength (mol/kgw) = 3.605e-03 Mass of water (kg) = 1.000e+00 @@ -405,7 +405,6 @@ Na 5.000e-04 Na+ 4.967e-04 4.656e-04 -3.304 -3.332 -0.028 -1.44 NaSO4- 3.031e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73 - NaOH 6.961e-20 6.967e-20 -19.157 -19.157 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.542 -70.542 0.000 30.40 S(-2) 1.071e-09 @@ -486,9 +485,9 @@ Phase SI log IAP log K(T, P) Initial Final Delta CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.401e-03 Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.932e-03 -Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 +Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 Gypsum -1.05 -5.64 -4.58 0.000e+00 0 0.000e+00 -Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 +Pyrite -0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 -----------------------------Solution composition------------------------------ @@ -508,7 +507,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Specific Conductance (µS/cm, 25°C) = 913 Density (g/cm³) = 0.99754 Volume (L) = 1.00300 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89303 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.219e-02 Mass of water (kg) = 1.000e+00 @@ -517,7 +516,7 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 26 + Iterations = 25 Total H = 1.110111e+02 Total O = 5.551754e+01 @@ -587,7 +586,6 @@ Na 2.500e-03 Na+ 2.443e-03 2.187e-03 -2.612 -2.660 -0.048 -1.36 NaSO4- 5.622e-05 5.046e-05 -4.250 -4.297 -0.047 -14.46 NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73 - NaOH 2.101e-19 2.107e-19 -18.678 -18.676 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.031 -70.030 0.001 30.40 S(-2) 6.410e-10 @@ -620,7 +618,7 @@ S(6) 2.667e-03 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.33 -9.25 -3.92 FeS - Goethite -0.00 -1.00 -1.00 FeOOH + Goethite 0.00 -1.00 -1.00 FeOOH Gypsum -1.05 -5.64 -4.58 CaSO4:2H2O H2(g) -8.07 -11.18 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -631,7 +629,7 @@ S(6) 2.667e-03 Melanterite -8.59 -10.80 -2.21 FeSO4:7H2O Mirabilite -6.93 -8.17 -1.24 Na2SO4:10H2O O2(g) -67.14 -70.03 -2.89 O2 - Pyrite 0.00 -18.48 -18.48 FeS2 + Pyrite -0.00 -18.48 -18.48 FeS2 Siderite -2.75 -13.64 -10.89 FeCO3 Sulfur -7.17 -2.29 4.88 S Thenardite -7.87 -8.17 -0.30 Na2SO4 @@ -690,7 +688,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 Specific Conductance (µS/cm, 25°C) = 1657 Density (g/cm³) = 0.99799 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89443 + Viscosity (mPa s) = 0.89444 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.237e-02 Mass of water (kg) = 1.000e+00 @@ -769,7 +767,6 @@ Na 5.000e-03 Na+ 4.817e-03 4.179e-03 -2.317 -2.379 -0.062 -1.31 NaSO4- 1.816e-04 1.581e-04 -3.741 -3.801 -0.060 -12.22 NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73 - NaOH 3.186e-19 3.202e-19 -18.497 -18.495 0.002 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.812 -69.809 0.002 30.40 S(-2) 5.033e-10 @@ -951,7 +948,6 @@ Na 1.500e-02 Na+ 1.395e-02 1.136e-02 -1.855 -1.945 -0.089 -1.18 NaSO4- 1.049e-03 8.593e-04 -2.979 -3.066 -0.087 -7.84 NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73 - NaOH 5.969e-19 6.052e-19 -18.224 -18.218 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.487 -69.481 0.006 30.40 S(-2) 3.528e-10 @@ -1054,7 +1050,7 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02 Specific Conductance (µS/cm, 25°C) = 5635 Density (g/cm³) = 1.00044 Volume (L) = 1.00301 - Viscosity (mPa s) = 0.90053 + Viscosity (mPa s) = 0.90054 Activity of water = 0.999 Ionic strength (mol/kgw) = 7.442e-02 Mass of water (kg) = 9.996e-01 @@ -1133,7 +1129,6 @@ Na 2.501e-02 Na+ 2.325e-02 1.865e-02 -1.633 -1.729 -0.096 -1.15 NaSO4- 1.753e-03 1.414e-03 -2.756 -2.850 -0.093 -6.75 NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73 - NaOH 9.492e-19 9.656e-19 -18.023 -18.015 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.474 -69.467 0.007 30.40 S(-2) 3.484e-10 diff --git a/ex6.out b/ex6.out index bdb6ecbad..3bb552938 100644 --- a/ex6.out +++ b/ex6.out @@ -3228,7 +3228,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 288 Density (g/cm³) = 0.99712 Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89020 + Viscosity (mPa s) = 0.89019 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.175e-03 Mass of water (kg) = 1.000e+00 @@ -3302,7 +3302,7 @@ Initial solution 2. Specific Conductance (µS/cm, 25°C) = 190 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89010 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.333e-03 Mass of water (kg) = 1.000e+00 @@ -3559,7 +3559,7 @@ Initial solution 1. Specific Conductance (µS/cm, 25°C) = 279 Density (g/cm³) = 0.99714 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89016 + Viscosity (mPa s) = 0.89015 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.372e-03 Mass of water (kg) = 1.000e+00 @@ -3707,7 +3707,7 @@ Initial solution 3. Specific Conductance (µS/cm, 25°C) = 190 Density (g/cm³) = 0.99712 Volume (L) = 1.00299 - Viscosity (mPa s) = 0.89011 + Viscosity (mPa s) = 0.89010 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.333e-03 Mass of water (kg) = 1.000e+00 diff --git a/ex7.out b/ex7.out index 0570eeced..e0b006951 100644 --- a/ex7.out +++ b/ex7.out @@ -145,7 +145,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99737 Volume (L) = 1.00304 - Viscosity (mPa s) = 0.89302 + Viscosity (mPa s) = 0.89454 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 @@ -294,10 +294,10 @@ Reaction 1. pH = 6.829 Charge balance pe = -3.721 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 460 + Specific Conductance (µS/cm, 25°C) = 459 Density (g/cm³) = 0.99737 Volume (L) = 1.00307 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89504 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.354e-03 Mass of water (kg) = 1.000e+00 @@ -400,10 +400,10 @@ Reaction 1. pH = 6.727 Charge balance pe = -3.642 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 463 + Specific Conductance (µS/cm, 25°C) = 462 Density (g/cm³) = 0.99737 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89549 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.425e-03 Mass of water (kg) = 1.000e+00 @@ -509,7 +509,7 @@ Reaction 1. Specific Conductance (µS/cm, 25°C) = 465 Density (g/cm³) = 0.99737 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89310 + Viscosity (mPa s) = 0.89590 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.495e-03 Mass of water (kg) = 1.000e+00 @@ -626,10 +626,10 @@ N2(g) -3.44 3.610e-04 1.000 0.000e+00 1.647e-07 1.647e-07 pH = 6.584 Charge balance pe = -3.504 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 468 + Specific Conductance (µS/cm, 25°C) = 467 Density (g/cm³) = 0.99738 Volume (L) = 1.00315 - Viscosity (mPa s) = 0.89313 + Viscosity (mPa s) = 0.89624 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.565e-03 Mass of water (kg) = 1.000e+00 @@ -746,10 +746,10 @@ N2(g) -3.02 9.612e-04 1.000 0.000e+00 2.567e-06 2.567e-06 pH = 6.425 Charge balance pe = -3.320 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 479 + Specific Conductance (µS/cm, 25°C) = 477 Density (g/cm³) = 0.99741 Volume (L) = 1.00320 - Viscosity (mPa s) = 0.89323 + Viscosity (mPa s) = 0.89735 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.837e-03 Mass of water (kg) = 9.999e-01 @@ -866,10 +866,10 @@ N2(g) -2.58 2.636e-03 1.000 0.000e+00 2.006e-05 2.006e-05 pH = 6.272 Charge balance pe = -3.138 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 499 + Specific Conductance (µS/cm, 25°C) = 497 Density (g/cm³) = 0.99746 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89344 + Viscosity (mPa s) = 0.89888 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.355e-03 Mass of water (kg) = 9.999e-01 @@ -986,10 +986,10 @@ N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04 pH = 6.161 Charge balance pe = -3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 532 + Specific Conductance (µS/cm, 25°C) = 530 Density (g/cm³) = 0.99754 Volume (L) = 1.00338 - Viscosity (mPa s) = 0.89377 + Viscosity (mPa s) = 0.90075 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.214e-03 Mass of water (kg) = 9.999e-01 @@ -1106,10 +1106,10 @@ N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.780e-04 7.780e-04 pH = 6.101 Charge balance pe = -2.919 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 568 + Specific Conductance (µS/cm, 25°C) = 566 Density (g/cm³) = 0.99762 Volume (L) = 1.00348 - Viscosity (mPa s) = 0.89414 + Viscosity (mPa s) = 0.90252 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.016e-02 Mass of water (kg) = 9.999e-01 @@ -1226,10 +1226,10 @@ N2(g) -1.60 2.537e-02 1.001 0.000e+00 2.608e-03 2.608e-03 pH = 6.071 Charge balance pe = -2.876 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 591 + Specific Conductance (µS/cm, 25°C) = 588 Density (g/cm³) = 0.99767 Volume (L) = 1.00356 - Viscosity (mPa s) = 0.89437 + Viscosity (mPa s) = 0.90362 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.075e-02 Mass of water (kg) = 9.999e-01 @@ -1346,10 +1346,10 @@ N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03 pH = 6.055 Charge balance pe = -2.853 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 602 + Specific Conductance (µS/cm, 25°C) = 600 Density (g/cm³) = 0.99770 Volume (L) = 1.00365 - Viscosity (mPa s) = 0.89448 + Viscosity (mPa s) = 0.90420 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.105e-02 Mass of water (kg) = 9.999e-01 @@ -1466,10 +1466,10 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02 pH = 6.047 Charge balance pe = -2.841 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 608 + Specific Conductance (µS/cm, 25°C) = 605 Density (g/cm³) = 0.99771 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.89454 + Viscosity (mPa s) = 0.90448 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.119e-02 Mass of water (kg) = 1.000e+00 @@ -1586,10 +1586,10 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02 pH = 6.043 Charge balance pe = -2.835 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 610 + Specific Conductance (µS/cm, 25°C) = 607 Density (g/cm³) = 0.99772 Volume (L) = 1.00397 - Viscosity (mPa s) = 0.89456 + Viscosity (mPa s) = 0.90461 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.126e-02 Mass of water (kg) = 1.000e+00 @@ -1775,7 +1775,7 @@ N2(g) -4.45 3.523e-05 1.000 0.000e+00 3.341e-05 3.341e-05 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89457 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.284e-03 Mass of water (kg) = 1.000e+00 @@ -1895,7 +1895,7 @@ N2(g) -4.15 7.071e-05 1.000 0.000e+00 6.706e-05 6.706e-05 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89459 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.287e-03 Mass of water (kg) = 1.000e+00 @@ -2015,7 +2015,7 @@ N2(g) -3.97 1.062e-04 1.000 0.000e+00 1.008e-04 1.008e-04 Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89461 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.290e-03 Mass of water (kg) = 1.000e+00 @@ -2132,10 +2132,10 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04 pH = 6.944 Charge balance pe = -3.581 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 + Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89463 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.293e-03 Mass of water (kg) = 1.000e+00 @@ -2252,10 +2252,10 @@ N2(g) -3.55 2.842e-04 1.000 0.000e+00 2.696e-04 2.696e-04 pH = 6.921 Charge balance pe = -3.593 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 + Specific Conductance (µS/cm, 25°C) = 457 Density (g/cm³) = 0.99733 Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89304 + Viscosity (mPa s) = 0.89471 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.303e-03 Mass of water (kg) = 1.000e+00 @@ -2372,10 +2372,10 @@ N2(g) -3.24 5.690e-04 1.000 0.000e+00 5.396e-04 5.396e-04 pH = 6.878 Charge balance pe = -3.582 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 459 + Specific Conductance (µS/cm, 25°C) = 458 Density (g/cm³) = 0.99733 Volume (L) = 1.00310 - Viscosity (mPa s) = 0.89305 + Viscosity (mPa s) = 0.89486 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.323e-03 Mass of water (kg) = 1.000e+00 @@ -2495,7 +2495,7 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03 Specific Conductance (µS/cm, 25°C) = 460 Density (g/cm³) = 0.99734 Volume (L) = 1.00313 - Viscosity (mPa s) = 0.89307 + Viscosity (mPa s) = 0.89515 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.365e-03 Mass of water (kg) = 1.000e+00 @@ -2612,10 +2612,10 @@ N2(g) -2.64 2.268e-03 1.000 0.000e+00 2.151e-03 2.151e-03 pH = 6.690 Charge balance pe = -3.443 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 464 + Specific Conductance (µS/cm, 25°C) = 463 Density (g/cm³) = 0.99735 Volume (L) = 1.00317 - Viscosity (mPa s) = 0.89310 + Viscosity (mPa s) = 0.89568 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.459e-03 Mass of water (kg) = 1.000e+00 @@ -2732,10 +2732,10 @@ N2(g) -2.36 4.407e-03 1.000 0.000e+00 4.181e-03 4.181e-03 pH = 6.540 Charge balance pe = -3.309 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 472 + Specific Conductance (µS/cm, 25°C) = 471 Density (g/cm³) = 0.99737 Volume (L) = 1.00326 - Viscosity (mPa s) = 0.89318 + Viscosity (mPa s) = 0.89657 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.665e-03 Mass of water (kg) = 1.000e+00 @@ -2852,10 +2852,10 @@ N2(g) -2.06 8.751e-03 1.000 0.000e+00 8.306e-03 8.306e-03 pH = 6.360 Charge balance pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 491 + Specific Conductance (µS/cm, 25°C) = 490 Density (g/cm³) = 0.99742 Volume (L) = 1.00345 - Viscosity (mPa s) = 0.89337 + Viscosity (mPa s) = 0.89810 Activity of water = 1.000 Ionic strength (mol/kgw) = 8.155e-03 Mass of water (kg) = 1.000e+00 @@ -2972,10 +2972,10 @@ N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02 pH = 6.180 Charge balance pe = -2.966 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 532 + Specific Conductance (µS/cm, 25°C) = 530 Density (g/cm³) = 0.99753 Volume (L) = 1.00381 - Viscosity (mPa s) = 0.89378 + Viscosity (mPa s) = 0.90063 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.223e-03 Mass of water (kg) = 1.000e+00 @@ -3092,10 +3092,10 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02 pH = 6.022 Charge balance pe = -2.811 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 614 + Specific Conductance (µS/cm, 25°C) = 611 Density (g/cm³) = 0.99773 Volume (L) = 1.00454 - Viscosity (mPa s) = 0.89459 + Viscosity (mPa s) = 0.90495 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.135e-02 Mass of water (kg) = 1.001e+00 diff --git a/ex8.out b/ex8.out index 37d31d328..62430fd48 100644 --- a/ex8.out +++ b/ex8.out @@ -119,7 +119,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-07 @@ -214,7 +213,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.533e-02 -1.000 -1.123 -0.123 29.77 Na 9.981e-02 Na+ 9.981e-02 7.836e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.724e-18 7.904e-18 -17.112 -17.102 0.010 (0) O(0) 1.615e-38 O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40 Zn 1.000e-04 @@ -382,7 +380,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.987e-02 Na+ 9.987e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.730e-21 7.910e-21 -20.112 -20.102 0.010 (0) O(0) 3.858e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.967e-08 @@ -495,7 +492,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.667e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 14 + Iterations = 15 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -520,7 +517,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.535e-02 -1.000 -1.123 -0.123 29.77 Na 9.990e-02 Na+ 9.990e-02 7.843e-02 -1.000 -1.106 -0.105 -1.09 - NaOH 1.375e-20 1.407e-20 -19.862 -19.852 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.910e-08 @@ -633,7 +629,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.214e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 15 + Iterations = 16 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -658,7 +654,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.445e-20 2.502e-20 -19.612 -19.602 0.010 (0) O(0) 1.998e-06 O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.759e-08 @@ -771,7 +766,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.888e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -796,7 +791,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.846e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.349e-20 4.450e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.369e-08 @@ -909,7 +903,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -5.700e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 15 + Iterations = 14 Total H = 1.110123e+02 Total O = 5.580616e+01 @@ -934,7 +928,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.994e-02 Na+ 9.994e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.735e-20 7.915e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 8.454e-08 @@ -1047,7 +1040,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -4.647e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 14 + Iterations = 15 Total H = 1.110123e+02 Total O = 5.580617e+01 @@ -1072,7 +1065,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.995e-02 Na+ 9.995e-02 7.847e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-19 1.408e-19 -18.862 -18.852 0.010 (0) O(0) 7.448e-07 O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40 Zn 6.679e-08 @@ -1185,7 +1177,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -3.722e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02 - Iterations = 13 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580618e+01 @@ -1210,7 +1202,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.996e-02 Na+ 9.996e-02 7.848e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.446e-19 2.503e-19 -18.611 -18.601 0.010 (0) O(0) 5.360e-07 O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40 Zn 4.243e-08 @@ -1323,7 +1314,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.911e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 14 + Iterations = 15 Total H = 1.110124e+02 Total O = 5.580619e+01 @@ -1348,7 +1339,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.997e-02 Na+ 9.997e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.351e-19 4.452e-19 -18.361 -18.351 0.010 (0) O(0) 3.858e-07 O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40 Zn 2.114e-08 @@ -1486,7 +1476,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.849e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.738e-19 7.918e-19 -18.111 -18.101 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 8.811e-09 @@ -1624,7 +1613,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.998e-02 Na+ 9.998e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 1.376e-18 1.408e-18 -17.861 -17.851 0.010 (0) O(0) 1.998e-07 O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 3.340e-09 @@ -1762,7 +1750,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.999e-02 Na+ 9.999e-02 7.850e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 2.447e-18 2.504e-18 -17.611 -17.601 0.010 (0) O(0) 1.438e-07 O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 1.217e-09 @@ -1900,7 +1887,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.352e-18 4.453e-18 -17.361 -17.351 0.010 (0) O(0) 1.035e-07 O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 Zn 4.403e-10 @@ -2013,7 +1999,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.787e-08 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 15 + Iterations = 14 Total H = 1.110124e+02 Total O = 5.580622e+01 @@ -2038,7 +2024,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 1.000e-01 Na+ 1.000e-01 7.851e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.739e-18 7.920e-18 -17.111 -17.101 0.010 (0) O(0) 7.448e-08 O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 1.628e-10 @@ -2185,7 +2170,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.124e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06 - Iterations = 21 + Iterations = 23 Total H = 1.110122e+02 Total O = 5.580609e+01 @@ -2210,7 +2195,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.967e-02 Na+ 9.967e-02 7.825e-02 -1.001 -1.107 -0.105 -1.09 - NaOH 7.714e-21 7.893e-21 -20.113 -20.103 0.010 (0) O(0) 3.857e-06 O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40 Zn 9.969e-05 @@ -2323,7 +2307,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -9.689e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 - Iterations = 23 + Iterations = 21 Total H = 1.110122e+02 Total O = 5.580611e+01 @@ -2339,16 +2323,15 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42 -N(0) 1.110e-06 - N2 5.552e-07 5.682e-07 -6.256 -6.246 0.010 29.29 + NH3 0.000e+00 0.000e+00 -57.016 -57.006 0.010 24.42 +N(0) 1.111e-06 + N2 5.553e-07 5.683e-07 -6.255 -6.245 0.010 29.29 N(3) 2.843e-13 NO2- 2.843e-13 2.142e-13 -12.546 -12.669 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.970e-02 Na+ 9.970e-02 7.827e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.372e-20 1.404e-20 -19.863 -19.853 0.010 (0) O(0) 2.776e-06 O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40 Zn 9.923e-05 @@ -2461,7 +2444,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -8.259e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04 - Iterations = 21 + Iterations = 22 Total H = 1.110123e+02 Total O = 5.580613e+01 @@ -2476,19 +2459,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -53.098 -53.226 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42 -N(0) 7.997e-07 - N2 3.998e-07 4.092e-07 -6.398 -6.388 0.010 29.29 -N(3) 3.352e-13 - NO2- 3.352e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 +N(0) 7.992e-07 + N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29 +N(3) 3.351e-13 + NO2- 3.351e-13 2.525e-13 -12.475 -12.598 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.972e-02 Na+ 9.972e-02 7.828e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.440e-20 2.497e-20 -19.613 -19.603 0.010 (0) -O(0) 1.997e-06 - O2 9.987e-07 1.022e-06 -6.001 -5.991 0.010 30.40 +O(0) 1.998e-06 + O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40 Zn 9.832e-05 Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -24.68 ZnOH+ 1.636e-08 1.278e-08 -7.786 -7.894 -0.107 (0) @@ -2599,7 +2581,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -6.970e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03 - Iterations = 22 + Iterations = 23 Total H = 1.110123e+02 Total O = 5.580615e+01 @@ -2624,7 +2606,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.973e-02 Na+ 9.973e-02 7.830e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.340e-20 4.441e-20 -19.362 -19.352 0.010 (0) O(0) 1.438e-06 O2 7.189e-07 7.357e-07 -6.143 -6.133 0.010 30.40 Zn 9.698e-05 @@ -2762,7 +2743,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.975e-02 Na+ 9.975e-02 7.831e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.719e-20 7.899e-20 -19.112 -19.102 0.010 (0) O(0) 1.035e-06 O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40 Zn 9.549e-05 @@ -2892,15 +2872,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42 -N(0) 2.979e-07 - N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29 +N(0) 2.980e-07 + N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010 29.29 N(3) 5.489e-13 - NO2- 5.489e-13 4.135e-13 -12.260 -12.383 -0.123 25.24 + NO2- 5.489e-13 4.136e-13 -12.260 -12.383 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.976e-02 Na+ 9.976e-02 7.832e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.373e-19 1.405e-19 -18.862 -18.852 0.010 (0) O(0) 7.447e-07 O2 3.723e-07 3.810e-07 -6.429 -6.419 0.010 30.40 Zn 9.374e-05 @@ -3038,7 +3017,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.978e-02 Na+ 9.978e-02 7.833e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.442e-19 2.499e-19 -18.612 -18.602 0.010 (0) O(0) 5.358e-07 O2 2.679e-07 2.741e-07 -6.572 -6.562 0.010 30.40 Zn 9.075e-05 @@ -3168,15 +3146,14 @@ H(0) 0.000e+00 N(-3) 0.000e+00 NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.801 -56.791 0.010 24.42 -N(0) 1.546e-07 - N2 7.731e-08 7.911e-08 -7.112 -7.102 0.010 29.29 -N(3) 7.630e-13 - NO2- 7.630e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 +N(0) 1.547e-07 + N2 7.733e-08 7.913e-08 -7.112 -7.102 0.010 29.29 +N(3) 7.631e-13 + NO2- 7.631e-13 5.749e-13 -12.117 -12.240 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.980e-02 Na+ 9.980e-02 7.835e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 4.343e-19 4.444e-19 -18.362 -18.352 0.010 (0) O(0) 3.854e-07 O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40 Zn 8.484e-05 @@ -3314,7 +3291,6 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.982e-02 Na+ 9.982e-02 7.837e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 7.725e-19 7.905e-19 -18.112 -18.102 0.010 (0) O(0) 2.776e-07 O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40 Zn 7.503e-05 @@ -3427,7 +3403,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.512e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110125e+02 Total O = 5.580627e+01 @@ -3442,19 +3418,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42 -N(0) 7.992e-08 - N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29 +N(0) 7.993e-08 + N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29 N(3) 1.060e-12 - NO2- 1.060e-12 7.984e-13 -11.975 -12.098 -0.123 25.24 + NO2- 1.060e-12 7.985e-13 -11.975 -12.098 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.985e-02 Na+ 9.985e-02 7.839e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 1.374e-18 1.406e-18 -17.862 -17.852 0.010 (0) O(0) 1.998e-07 - O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40 + O2 9.989e-08 1.022e-07 -7.000 -6.990 0.010 30.40 Zn 6.248e-05 Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -24.68 ZnOH+ 5.783e-07 4.517e-07 -6.238 -6.345 -0.107 (0) @@ -3565,7 +3540,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.288e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 23 + Iterations = 26 Total H = 1.110126e+02 Total O = 5.580630e+01 @@ -3580,19 +3555,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.15 + NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128 18.15 NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42 -N(0) 5.759e-08 - N2 2.879e-08 2.947e-08 -7.541 -7.531 0.010 29.29 -N(3) 1.250e-12 - NO2- 1.250e-12 9.414e-13 -11.903 -12.026 -0.123 25.24 +N(0) 5.752e-08 + N2 2.876e-08 2.943e-08 -7.541 -7.531 0.010 29.29 +N(3) 1.249e-12 + NO2- 1.249e-12 9.412e-13 -11.903 -12.026 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.988e-02 Na+ 9.988e-02 7.841e-02 -1.001 -1.106 -0.105 -1.09 - NaOH 2.444e-18 2.501e-18 -17.612 -17.602 0.010 (0) -O(0) 1.437e-07 - O2 7.186e-08 7.353e-08 -7.144 -7.134 0.010 30.40 +O(0) 1.438e-07 + O2 7.189e-08 7.357e-08 -7.143 -7.133 0.010 30.40 Zn 4.944e-05 Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -24.68 ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0) @@ -3607,8 +3581,8 @@ Zn 4.944e-05 Fix_H+ -7.50 -7.50 0.00 H+ H2(g) -39.52 -42.62 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -4.35 -7.53 -3.18 N2 - NH3(g) -58.48 -56.68 1.80 NH3 + N2(g) -4.36 -7.53 -3.18 N2 + NH3(g) -58.48 -56.69 1.80 NH3 O2(g) -4.24 -7.13 -2.89 O2 Zn(OH)2(e) -1.24 10.26 11.50 Zn(OH)2 @@ -3691,7 +3665,7 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = 7.750 Charge balance - pe = 11.952 Adjusted to redox equilibrium + pe = 11.951 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 9914 Density (g/cm³) = 1.00265 Volume (L) = 1.00583 @@ -3703,7 +3677,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -2.080e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 25 + Iterations = 23 Total H = 1.110126e+02 Total O = 5.580632e+01 @@ -3718,19 +3692,18 @@ Hfo_w H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61 N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.15 - NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.42 -N(0) 4.139e-08 - N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29 -N(3) 1.473e-12 - NO2- 1.473e-12 1.109e-12 -11.832 -11.955 -0.123 25.24 + NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.15 + NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42 +N(0) 4.165e-08 + N2 2.082e-08 2.131e-08 -7.681 -7.671 0.010 29.29 +N(3) 1.474e-12 + NO2- 1.474e-12 1.111e-12 -11.831 -11.954 -0.123 25.24 N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.991e-02 Na+ 9.991e-02 7.844e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 4.348e-18 4.449e-18 -17.362 -17.352 0.010 (0) -O(0) 1.035e-07 - O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40 +O(0) 1.032e-07 + O2 5.162e-08 5.282e-08 -7.287 -7.277 0.010 30.40 Zn 3.752e-05 Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -24.68 ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0) @@ -3746,7 +3719,7 @@ Zn 3.752e-05 H2(g) -39.45 -42.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O N2(g) -4.50 -7.67 -3.18 N2 - NH3(g) -58.45 -56.65 1.80 NH3 + NH3(g) -58.44 -56.65 1.80 NH3 O2(g) -4.38 -7.28 -2.89 O2 Zn(OH)2(e) -0.87 10.63 11.50 Zn(OH)2 @@ -3841,7 +3814,7 @@ Hfo_w Temperature (°C) = 25.00 Electrical balance (eq) = -1.854e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01 - Iterations = 24 + Iterations = 25 Total H = 1.110127e+02 Total O = 5.580635e+01 @@ -3866,9 +3839,8 @@ N(5) 1.000e-01 NO3- 1.000e-01 7.534e-02 -1.000 -1.123 -0.123 29.77 Na 9.993e-02 Na+ 9.993e-02 7.845e-02 -1.000 -1.105 -0.105 -1.09 - NaOH 7.734e-18 7.914e-18 -17.112 -17.102 0.010 (0) -O(0) 7.447e-08 - O2 3.724e-08 3.810e-08 -7.429 -7.419 0.010 30.40 +O(0) 7.448e-08 + O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40 Zn 2.762e-05 Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -24.68 ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0) diff --git a/ex8.sel b/ex8.sel index 0ddfff4fd..880c923a8 100644 --- a/ex8.sel +++ b/ex8.sel @@ -1,5 +1,5 @@ sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+ - 5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.0561601 9.9667e-08 1.3174e-11 3.1450e-10 + 5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.05616 9.9667e-08 1.3174e-11 3.1450e-10 6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81073e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10 7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.8271e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09 8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14703e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09 @@ -23,5 +23,5 @@ 28 react 2 -99 0 1 7 12.8088 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06 29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06 30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06 - 31 react 2 -99 0 1 7.75 11.9517 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06 + 31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06 32 react 2 -99 0 1 8 11.666 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06 diff --git a/ex9.out b/ex9.out index 349afdd30..38a8cab1c 100644 --- a/ex9.out +++ b/ex9.out @@ -214,7 +214,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 9.106e-20 9.128e-20 -19.041 -19.040 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -280,7 +279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.669e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.298e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.244e-16 + Electrical balance (eq) = 8.209e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 208 (195 overall) Total H = 1.110124e+02 @@ -320,7 +319,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.010e-20 1.012e-20 -19.996 -19.995 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -381,7 +379,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.858e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.041e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.307e-16 + Electrical balance (eq) = 8.134e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 27 Total H = 1.110124e+02 @@ -421,7 +419,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.838e-21 5.852e-21 -20.234 -20.233 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -482,7 +479,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.073e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 3.670e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 9.165e-16 + Electrical balance (eq) = 9.043e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 67 Total H = 1.110124e+02 @@ -522,7 +519,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 3.029e-21 3.036e-21 -20.519 -20.518 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -583,7 +579,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.928e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 5.641e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.899e-15 + Electrical balance (eq) = 6.887e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 26 Total H = 1.110124e+02 @@ -623,7 +619,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.921e-21 1.926e-21 -20.716 -20.715 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -684,7 +679,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.731e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.533e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.912e-15 + Electrical balance (eq) = 6.899e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -724,7 +719,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.426e-21 1.430e-21 -20.846 -20.845 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -785,7 +779,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.071e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.960e-06 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.927e-15 + Electrical balance (eq) = 6.911e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Total H = 1.110124e+02 @@ -825,7 +819,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 1.076e-21 1.079e-21 -20.968 -20.967 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -886,7 +879,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.211e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.244e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.924e-15 + Electrical balance (eq) = 6.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -926,7 +919,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 8.626e-22 8.647e-22 -21.064 -21.063 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -987,7 +979,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.790e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.556e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.927e-15 + Electrical balance (eq) = 6.909e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 23 Total H = 1.110124e+02 @@ -1027,7 +1019,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.933e-22 6.949e-22 -21.159 -21.158 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1088,7 +1079,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.440e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.774e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.316e-14 + Electrical balance (eq) = 5.315e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1128,7 +1119,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 6.109e-22 6.124e-22 -21.214 -21.213 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1189,7 +1179,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.315e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 1.946e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.627e-14 + Electrical balance (eq) = 5.625e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1229,7 +1219,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.589e-22 5.602e-22 -21.253 -21.252 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40 @@ -1290,7 +1279,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.633e-07 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 2.091e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.669e-14 + Electrical balance (eq) = 5.667e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 20 Total H = 1.110124e+02 @@ -1330,7 +1319,6 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61 Na 1.000e-02 Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38 - NaOH 5.218e-22 5.230e-22 -21.283 -21.281 0.001 (0) O(0) 5.465e-04 O2 2.732e-04 2.739e-04 -3.563 -3.562 0.001 30.40