Search found 13 matches

by DougTinkham
23 Nov 2021, 16:18
Forum: General Discussion
Topic: Floating 'K' in assemblage
Replies: 7
Views: 16060

Re: Floating 'K' in assemblage

Hi William You figured out your issue with your oxygen (you initially did not enter enough Oxygen). In the very first step of the minimization algorithm, an 'assemblage' of stable phases is set to an assemblage of the elements themselves, and those elements are given a very high Gf so that in normal...
by DougTinkham
23 Nov 2021, 15:53
Forum: Installation and Operation
Topic: Problems running Theriak Domino on Windows 10 using the latest dataset tcds62cid and td-6axNCKFMASHTOm45
Replies: 2
Views: 31976

Re: Problems running Theriak Domino on Windows 10 using the latest dataset tcds62cid and td-6axNCKFMASHTOm45

Hi Otavio You should either add some extra oxygen to generate stability of the ferric iron-bearing members that are activated in the database file, or deactivate the ferric-iron bearing members in the database file if you do not want any to be predicted. See the "Ferric iron problems" sect...
by DougTinkham
23 Nov 2021, 13:03
Forum: Dataset Discussion
Topic: Problems with the dataset td-tcds62-6axmn-03
Replies: 5
Views: 32085

Re: Problems with the dataset td-tcds62-6axmn-03

Hello Jacek: When I see a problem with a bunch of jagged lines like I see in your diagram, my first thought is to check that I have added enough ferric iron to the bulk composition. The system composition basis set for that file use the system components iron (FE) and oxygen (O), and does not use an...
by DougTinkham
07 Apr 2017, 01:43
Forum: Installation and Operation
Topic: new version
Replies: 7
Views: 25884

Re: new version

I have used the composition from Fig 7 of White et al 2014 (Mn): I have looked into the new version of domino on capi's website. For some compositions I am seen lack of convergence to the equilibrium solution and I think I know why, and it is slow. I will soon make available for download some execu...
by DougTinkham
05 Apr 2017, 18:28
Forum: Installation and Operation
Topic: new version
Replies: 7
Views: 25884

Re: new version

Hi Jan, The point is that no F3 is included in the f3-phases (****   MINERAL DATA  **** - block). You have to change FE to F3 for all f3-phases, if you want to activate ferric members. For example:  Hi Erik: Actually, this is not how I would proceed in this case. That file was specifically set up f...
by DougTinkham
01 Apr 2017, 13:30
Forum: Installation and Operation
Topic: new version
Replies: 7
Views: 25884

Re: new version

It would be helpful to tell us the chemical system you are working in and the P-T range you are working at. Ideally you would also post the composition  as listed in your THERIN or therin.txt input file. Otherwise it is difficult to address your question.
by DougTinkham
21 Mar 2017, 03:39
Forum: Dataset Discussion
Topic: ds6 - Mn metapelite (White et al. 2014)
Replies: 0
Views: 10426

ds6 - Mn metapelite (White et al. 2014)

I uploaded a theriak-domino formatted version of the Holland & Powell ds6.2 with White et al. 2014 Mn ax models. It should give the same results as the file shipping with the 2017 version of Theriak-Domino as far as I know (not tested). I have comparisons to published figures calculated with The...
by DougTinkham
08 Jun 2016, 21:26
Forum: Installation and Operation
Topic: How to add Fe3+ into calculations
Replies: 3
Views: 23671

Re: How to add Fe3+ into calculations

How do I do this? How can I add Fe3+ to the composition (is it Fe3+(--)?) ? The method for entering Fe+++ is dependent on the compositional format used in the thermodynamic dataset file used in your calculation. The default method, which is used by files shipped with Theriak-Domino, is to control v...
by DougTinkham
31 Oct 2015, 03:00
Forum: Dataset Discussion
Topic: updated databases
Replies: 5
Views: 21183

Re: updated databases

.... The high-pressure file I have works to about 80 kbar pressure, but above that there are problems with one of the ordered activity models where TD does not give the same results as thermocalc. Whether thermocalc or theriak is correct, I am not 100% certain yet. Actually, it works well to reprod...
by DougTinkham
31 Oct 2015, 02:03
Forum: Dataset Discussion
Topic: Dataset with Ti and Fe3+
Replies: 6
Views: 35679

Re: Dataset with Ti and Fe3+

Hi Doug, Yes, indeed you have hit the nail on the head, and hence my question about using the buffer with models that deal with Fe3+ explicitly. The rocks contain a lot more Fe3+ than typical migmatites, hence the presence of hematite and magnetite porphs. Using tcdb55c2d on similarly oxidized rock...