Search found 10 matches

by DougTinkham
07 Apr 2017, 01:43
Forum: Installation and Operation
Topic: new version
Replies: 7
Views: 9729

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: 9729

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: 9729

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: 3487

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 Thermoc...
by DougTinkham
08 Jun 2016, 21:26
Forum: Installation and Operation
Topic: How to add Fe3+ into calculations
Replies: 3
Views: 6595

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: 9953

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: 9447

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...
by DougTinkham
30 Oct 2015, 21:31
Forum: Dataset Discussion
Topic: Dataset with Ti and Fe3+
Replies: 6
Views: 9447

Re: Dataset with Ti and Fe3+

Thank you Eric for sharing this link, downloaded and used today obtaining results that are much more consistent with oxidized migmatite gneisses we have been really struggling with. One thing I had to do was add the OHM buffer to Doug's file. I believe this is internally consistent with Doug's file...
by DougTinkham
30 Oct 2015, 16:52
Forum: Dataset Discussion
Topic: dataset modifications
Replies: 4
Views: 5118

Re: dataset modifications

What bothers me often and where I have absolutely no knowledge about is, how much can I alter the datasets without producing nonsense? That is, my main concern is, lets say in the Holland & Powell dataset, what if I e.g. don't trust the solution for Mn in biotite: am I allowed to exclude the Mn in ...
by DougTinkham
30 Oct 2015, 16:41
Forum: Dataset Discussion
Topic: updated databases
Replies: 5
Views: 9953

Re: updated databases

I have a file for ds6.2 setup for the White et al. Mn-bearing metapelite paper models, and another one for the Holland et al. 2013 paper. The White et al. file works great but requires an updated version of the Theriak-Domino software that is not released yet. The high-pressure file I have works to ...