Skip to content
New issue

Have a question about this project? # for a free GitHub account to open an issue and contact its maintainers and the community.

#

By clicking “#”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? # to your account

Mix error #82

Merged
merged 5 commits into from
Oct 22, 2024
Merged

Mix error #82

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
5 commits
Select commit Hold shift + click to select a range
bd4e76e
Tony's changes for viscosity and heat in transport. ex13_impl failed …
dlparkhurst Oct 14, 2024
89aae60
fixed viscos_0 as new datum in solution class.
dlparkhurst Oct 15, 2024
4fa78e0
Tony's tweak to transport, updated RELEASE.TXT
dlparkhurst Oct 17, 2024
cf16a9a
Merge branch 'master' into mix_error
dlparkhurst Oct 18, 2024
cd45614
[phreeqc3] Updated outputs for 3.8.3
scharlton2 Oct 22, 2024
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
The table of contents is too big for display.
Diff view
Diff view
  •  
  •  
  •  
13 changes: 8 additions & 5 deletions doc/RELEASE.TXT
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -3,21 +3,24 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
-----------------
October 8, 2024
-----------------
PHREEQC: Improved algorithem for transport of heat in TRANSPORT, and included
additional viscosity effects in transport calculations.
PHREEQC: Revised the multicomponent diffusion calculation of heat and solutes,
accounting now for the heat also for the T-dependent viscosity of the solutions.

-----------------
October 8, 2024
-----------------
PHREEQC: Corrected spelling errors thoughout PHREEQC as supplied by Mike Toews.
PHREEQC: Corrected spelling errors throughout PHREEQC as supplied by Mike Toews.
Modified "lamda" to "lambda" internally as suggested by Toews, but "lamda" and
"lambda" are both acceptable in Ptzer database files for backward compatibility.
"lambda" are both acceptable in Pitzer database files for backward compatibility.

-----------------
October 8, 2024
-----------------
PHREEQC: Fixed bug in MIX that produced erroneous temperature and pressure
if the solutions being mixed did not have 1 kg of water.
if the solutions being mixed did not have 1 kg of water. (Note that PHREEQC does
not consider the heat content of the solutions when the temperature of the mixture
is calculated.)


Version 3.8.2: August 29, 2024
-----------------
Expand Down
20 changes: 10 additions & 10 deletions examples/ex11trn.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -56,28 +56,28 @@
54 8.761960899973e-04 1.119606249493e-03 3.238039099878e-04 0.000000000000e+00 1.362500000000e+00
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
57 7.284538372959e-04 1.150973656035e-03 4.715461626881e-04 3.531139650213e-28 1.437500000000e+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 9.154192241147e-23 1.512500000000e+00
61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871101e-21 1.537500000000e+00
60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241148e-23 1.512500000000e+00
61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871102e-21 1.537500000000e+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
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 2.657316487700e-15 1.637500000000e+00
66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678986e-14 1.662500000000e+00
66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678985e-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 2.970943178734e-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
69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832666e-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 3.329859617448e-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 5.356918142767e-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 3.068522371411e-04 4.348515636801e-04 1.937500000000e+00
78 1.834047972307e-05 1.199104120993e-03 2.366187847944e-04 4.725203677398e-04 1.962500000000e+00
78 1.834047972307e-05 1.199104120993e-03 2.366187847945e-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
Expand All @@ -86,7 +86,7 @@
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 2.768046312192e-05 5.850835965725e-04 2.187500000000e+00
87 2.152343734153e-06 1.199866246232e-03 2.768046312193e-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
Expand Down
120 changes: 60 additions & 60 deletions examples/ex12.sel
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -64,63 +64,63 @@
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166666 2.173421535788e+01 2.173403615953e+01 2.265963837554e+00 2.269804797032e+01
0.499999 1.732877881413e+01 1.732819001087e+01 6.671809981447e+00 2.011807085412e+01
0.833333 1.328084086748e+01 1.327978568454e+01 1.072021430458e+01 1.760856603204e+01
1.16667 9.764795286473e+00 9.763307030585e+00 1.423669295683e+01 1.521227157407e+01
1.5 6.876991640216e+00 6.875215357913e+00 1.712478462908e+01 1.296595961051e+01
1.83333 4.633455928133e+00 4.631602980060e+00 1.936839700747e+01 1.089879733963e+01
2.16666 2.983966658034e+00 2.982242889576e+00 2.101775709910e+01 9.031344427781e+00
2.5 1.835677067050e+00 1.834226374349e+00 2.216577361580e+01 7.375229710910e+00
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 1.651896628002e-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
5.16666 7.158752063679e-03 7.134045500782e-03 2.399286595322e+01 8.331126368298e-01
5.49999 2.918449214332e-03 2.907143229955e-03 2.399709285586e+01 5.894176946328e-01
5.83333 1.138722696040e-03 1.133812460285e-03 2.399886618691e+01 4.099979928622e-01
6.16666 4.254688736287e-04 4.234417524596e-04 2.399957655782e+01 2.803568840129e-01
6.49999 1.523139982618e-04 1.515173752178e-04 2.399984848233e+01 1.884293356574e-01
6.83333 5.227267557720e-05 5.197429168637e-05 2.399994802552e+01 1.244625136586e-01
7.16666 1.720732480116e-05 1.710067686712e-05 2.399998289920e+01 8.078763518547e-02
7.49999 5.436192373459e-06 5.399780020770e-06 2.399999460014e+01 5.153271367855e-02
7.83333 1.649130959657e-06 1.637243353861e-06 2.399999836271e+01 3.231654723819e-02
8.16666 4.806491381349e-07 4.769347036557e-07 2.399999952303e+01 1.995365519988e-02
8.49999 1.346725366297e-07 1.335606226401e-07 2.399999986642e+01 1.218958904340e-02
8.83332 3.634765898121e-08 3.602792250445e-08 2.399999996396e+01 7.477287156789e-03
9.16666 9.688623034758e-09 9.597781456237e-09 2.399999999039e+01 4.798487471577e-03
9.49999 3.521368975345e-09 3.486221174512e-09 2.399999999651e+01 3.529761278078e-03
9.83332 5.266906600210e-09 5.215747970494e-09 2.399999999478e+01 3.350250042338e-03
10.1667 1.826871464229e-08 1.810246493779e-08 2.399999998189e+01 4.187235209478e-03
10.5 6.734356349056e-08 6.676736728859e-08 2.399999993322e+01 6.195716015130e-03
10.8333 2.402639314420e-07 2.383343475339e-07 2.399999976165e+01 9.768664014259e-03
11.1667 8.242843018529e-07 8.180891310115e-07 2.399999918189e+01 1.557505013666e-02
11.5 2.716922549622e-06 2.697877300187e-06 2.399999730208e+01 2.462264894765e-02
11.8333 8.598959192629e-06 8.542946913518e-06 2.399999145699e+01 3.834165440595e-02
12.1667 2.611819663843e-05 2.596074280454e-05 2.399997403917e+01 5.868305693760e-02
12.5 7.608967015818e-05 7.566701745618e-05 2.399992433285e+01 8.822247450200e-02
12.8333 2.124941138159e-04 2.114118449125e-04 2.399978858795e+01 1.302558794738e-01
13.1667 5.685367828663e-04 5.658959587685e-04 2.399943410375e+01 1.888688939345e-01
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 1.871028306262e-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
15.8333 2.987859018573e-01 2.982865097097e-01 2.370171348749e+01 1.934133647612e+00
16.1667 5.307585250720e-01 5.300169112943e-01 2.346998308535e+01 2.387754908519e+00
16.5 8.989956902916e-01 8.979611508074e-01 2.310203884528e+01 2.896121734265e+00
16.8333 1.451582042996e+00 1.450226361452e+00 2.254977363414e+01 3.451285434101e+00
17.1666 2.233972730862e+00 2.232300602876e+00 2.176769939234e+01 4.041047732561e+00
17.5 3.276610346604e+00 3.274658958333e+00 2.072534103671e+01 4.649079608377e+00
17.8333 4.580032365347e+00 4.577856581120e+00 1.942214341402e+01 5.255445898756e+00
18.1666 6.101263069883e+00 6.098911107801e+00 1.790108888775e+01 5.837544906627e+00
18.5 7.746550873541e+00 7.744044086582e+00 1.625595590970e+01 6.371420572385e+00
18.8333 9.375124349924e+00 9.372456106636e+00 1.462754389061e+01 6.833351769770e+00
19.1666 1.081616435699e+01 1.081332243663e+01 1.318667756164e+01 7.201577340318e+00
19.5 1.189711477283e+01 1.189411416971e+01 1.210588582943e+01 7.457984760712e+00
19.8333 1.247718192302e+01 1.247408415261e+01 1.152591584704e+01 7.589581188889e+00
0.166666 2.173421535646e+01 2.173403615953e+01 2.265963837554e+00 2.269804797032e+01
0.499999 1.732877881136e+01 1.732819001087e+01 6.671809981447e+00 2.011807085412e+01
0.833333 1.328084086481e+01 1.327978568454e+01 1.072021430458e+01 1.760856603204e+01
1.16667 9.764795284605e+00 9.763307030585e+00 1.423669295683e+01 1.521227157407e+01
1.5 6.876991639258e+00 6.875215357913e+00 1.712478462908e+01 1.296595961051e+01
1.83333 4.633455927868e+00 4.631602980060e+00 1.936839700747e+01 1.089879733963e+01
2.16666 2.983966658160e+00 2.982242889576e+00 2.101775709910e+01 9.031344427781e+00
2.5 1.835677067321e+00 1.834226374349e+00 2.216577361580e+01 7.375229710910e+00
2.83333 1.078314727984e+00 1.077198297073e+00 2.292280169464e+01 5.933476222844e+00
3.16666 6.047305559881e-01 6.039382767914e-01 2.339606171644e+01 4.701379781820e+00
3.5 3.237709471477e-01 3.232490525632e-01 2.367675094204e+01 3.667800399953e+00
3.83333 1.655104664919e-01 1.651896628002e-01 2.383481033299e+01 2.816701882844e+00
4.16666 8.080257208790e-02 8.061777229753e-02 2.391938222449e+01 2.128773573946e+00
4.5 3.768568648974e-02 3.758557520676e-02 2.396241442239e+01 1.582986272153e+00
4.83333 1.679767757983e-02 1.674652868459e-02 2.398325346955e+01 1.157966472262e+00
5.16666 7.158752068527e-03 7.134045500783e-03 2.399286595322e+01 8.331126368298e-01
5.49999 2.918449216371e-03 2.907143229955e-03 2.399709285586e+01 5.894176946328e-01
5.83333 1.138722696853e-03 1.133812460285e-03 2.399886618691e+01 4.099979928622e-01
6.16666 4.254688739372e-04 4.234417524596e-04 2.399957655782e+01 2.803568840129e-01
6.49999 1.523139983733e-04 1.515173752178e-04 2.399984848233e+01 1.884293356574e-01
6.83333 5.227267561574e-05 5.197429168637e-05 2.399994802552e+01 1.244625136586e-01
7.16666 1.720732481390e-05 1.710067686712e-05 2.399998289920e+01 8.078763518547e-02
7.49999 5.436192377492e-06 5.399780020770e-06 2.399999460014e+01 5.153271367855e-02
7.83333 1.649130960882e-06 1.637243353861e-06 2.399999836271e+01 3.231654723819e-02
8.16666 4.806491384918e-07 4.769347036557e-07 2.399999952303e+01 1.995365519988e-02
8.49999 1.346725367296e-07 1.335606226401e-07 2.399999986642e+01 1.218958904340e-02
8.83332 3.634765900813e-08 3.602792250445e-08 2.399999996396e+01 7.477287156789e-03
9.16666 9.688623041821e-09 9.597781456237e-09 2.399999999039e+01 4.798487471577e-03
9.49999 3.521368977494e-09 3.486221174512e-09 2.399999999651e+01 3.529761278078e-03
9.83332 5.266906602284e-09 5.215747970494e-09 2.399999999478e+01 3.350250042338e-03
10.1667 1.826871464878e-08 1.810246493779e-08 2.399999998189e+01 4.187235209478e-03
10.5 6.734356351424e-08 6.676736728859e-08 2.399999993322e+01 6.195716015130e-03
10.8333 2.402639315261e-07 2.383343475339e-07 2.399999976165e+01 9.768664014259e-03
11.1667 8.242843021403e-07 8.180891310115e-07 2.399999918189e+01 1.557505013666e-02
11.5 2.716922550563e-06 2.697877300187e-06 2.399999730208e+01 2.462264894765e-02
11.8333 8.598959195576e-06 8.542946913518e-06 2.399999145699e+01 3.834165440595e-02
12.1667 2.611819664726e-05 2.596074280454e-05 2.399997403917e+01 5.868305693760e-02
12.5 7.608967018345e-05 7.566701745618e-05 2.399992433285e+01 8.822247450201e-02
12.8333 2.124941138848e-04 2.114118449125e-04 2.399978858795e+01 1.302558794738e-01
13.1667 5.685367830447e-04 5.658959587685e-04 2.399943410375e+01 1.888688939345e-01
13.5 1.456506511482e-03 1.450373187822e-03 2.399854962640e+01 2.689568433456e-01
13.8333 3.570772370464e-03 3.557230846966e-03 2.399644276858e+01 3.761696764504e-01
14.1667 8.372702448878e-03 8.344318209114e-03 2.399165568100e+01 5.167554989993e-01
14.5 1.876668623866e-02 1.871028306262e-02 2.398128971588e+01 6.972801618698e-01
14.8333 4.018855159260e-02 4.008246069532e-02 2.395991753791e+01 9.242091443387e-01
15.1667 8.218587186998e-02 8.199729506180e-02 2.391800270313e+01 1.203352315083e+00
15.5 1.604262489166e-01 1.601100284715e-01 2.383988996925e+01 1.539191520809e+00
15.8333 2.987859018794e-01 2.982865097097e-01 2.370171348749e+01 1.934133647612e+00
16.1667 5.307585250826e-01 5.300169112943e-01 2.346998308535e+01 2.387754908519e+00
16.5 8.989956902585e-01 8.979611508074e-01 2.310203884528e+01 2.896121734266e+00
16.8333 1.451582042860e+00 1.450226361452e+00 2.254977363414e+01 3.451285434102e+00
17.1666 2.233972730531e+00 2.232300602876e+00 2.176769939234e+01 4.041047732562e+00
17.5 3.276610345963e+00 3.274658958333e+00 2.072534103671e+01 4.649079608378e+00
17.8333 4.580032364282e+00 4.577856581120e+00 1.942214341402e+01 5.255445898757e+00
18.1666 6.101263068319e+00 6.098911107801e+00 1.790108888775e+01 5.837544906627e+00
18.5 7.746550871479e+00 7.744044086582e+00 1.625595590970e+01 6.371420572385e+00
18.8333 9.375124347455e+00 9.372456106636e+00 1.462754389061e+01 6.833351769771e+00
19.1666 1.081616435426e+01 1.081332243663e+01 1.318667756164e+01 7.201577340319e+00
19.5 1.189711476997e+01 1.189411416971e+01 1.210588582943e+01 7.457984760712e+00
19.8333 1.247718192013e+01 1.247408415261e+01 1.152591584704e+01 7.589581188890e+00
Loading