Search found 16 matches

by Erik Duesterhoeft
10 Apr 2019, 07:26
Forum: General Discussion
Topic: how to calculate X(Na, M2) in omphacite using Theriak-Domino?
Replies: 1
Views: 2806

Re: how to calculate X(Na, M2) in omphacite using Theriak-Domino?

Hi, unfortunatley this part is hard-coded. The site-occupancies, which can be plot with domino, depend on the definition of sites in the database and you cannot change the sites without changing the solution model. ***** SOLUTION DATA ***** OMPH (-SITE,MARGULES)1/2 M1m(1):Mg,Fe,F3,Al - M1a(1):Mg,Fe,...
by Erik Duesterhoeft
09 Apr 2019, 07:40
Forum: General Discussion
Topic: Difference between TheriakDomino and Thermocalc
Replies: 3
Views: 3347

Re: Difference between TheriakDomino and Thermocalc

Very interesting. Thank you for your effort. It seems that they change something fundamental in the Landau approach, because thermodynamic data for coesite and quartz do not change (or do they ???). However, I wonder why thermocalc 3.40 +tc-ds61.txt and Thermocalc 3.45 +tc-ds62.txt are identical, as...
by Erik Duesterhoeft
21 Feb 2019, 09:25
Forum: General Discussion
Topic: Warning:loops reached maximum>>>
Replies: 2
Views: 3035

Re: Warning:loops reached maximum>>>

I'm aware of this issue from another user. The point is that Christian de Capitani refined the minimization procedure from version 2012 to 2017. Unfortunately some complex solutions in the tcdb -database run into trouble with this refinement. Here, are some quick solutions until the problem is fixed...
by Erik Duesterhoeft
20 Feb 2019, 08:38
Forum: General Discussion
Topic: Open systems and chemical potential diagrams
Replies: 1
Views: 3673

Re: Open systems and chemical potential diagrams

You can run guzzler + explot after reaching LEVEL 0. Usually, there are 5 Levels. If you plot LEVEL 3, the diagram is already finished, except some lines which are not connected.
by Erik Duesterhoeft
01 Feb 2019, 08:10
Forum: Dataset Discussion
Topic: JUN92d.bs different than JUN92.bs?
Replies: 3
Views: 2897

Re: JUN92d.bs different than JUN92.bs?

Ok, your system seems to be  CaAlSi. Are you sure that C and H go through, because MEIONITE                CA(4)AL(6)SI(6)O(27)C(1)
is also not listed. Check your composition in your  OUT file to see if C and H were passed from THERIN to domino.
by Erik Duesterhoeft
31 Jan 2019, 11:06
Forum: General Discussion
Topic: How to define a new buffer?
Replies: 1
Views: 2721

Re: How to define a new buffer?

Hi Peng, here I will explain how to define a ΔQFM+1 or ΔQFM-1 buffer . Gibbs free energy of the new buffer is: G(qfm+X) = G(qfm) + 2.303*R*T*X [2.303log() = ln() ] X= number of displacment in log10 units =  QFM+X; because: S(qfm+2) = -RT*[ln(a)+2.303*2] = - RT*2.303*[log(a)+2] = S(qfm) + RT*2.303*2 ...
by Erik Duesterhoeft
31 Jan 2019, 10:40
Forum: General Discussion
Topic: (2) WHITE MICA problem
Replies: 4
Views: 3419

Re: (2) WHITE MICA problem

Hi Jacek, please also check the example "Scripts in Domino.ppt" (https://serc.carleton.edu/research_education/equilibria/theriak-domino.html). It explains how to plot isopleths of the (2)WHITE_MICA problem. If you want to understand, why you can have two white micas; I recommend to read page 304 and...
by Erik Duesterhoeft
31 Jan 2019, 10:27
Forum: Dataset Discussion
Topic: JUN92d.bs different than JUN92.bs?
Replies: 3
Views: 2897

Re: JUN92d.bs different than JUN92.bs?

Hi, I try to reproduce the figure of slide 5 of T-X_CO2.ppt (https://serc.carleton.edu/research_education/equilibria/theriak-domino.html) with JUN92d.bs (the version distributed with Theriak version 2017 and 2018) and it works. I don't know which version of JUN92.bs you are using, but generally they...
by Erik Duesterhoeft
29 Mar 2018, 14:02
Forum: Dataset Discussion
Topic: New compiled version for MAC and WIN
Replies: 1
Views: 6158

Re: New compiled version for MAC and WIN

New Theriak-Domino (TSK18 Jena - version) incl. seismic velocities Here is my last Theriak-Domino version (March 15th, 2018) for MAC OS and WINDOWS (cygwin compiler), which I distributed during my workshop at the 17th Symposium of Tectonics, Structural Geology and Crystalline Geology in Jena 2018. Y...
by Erik Duesterhoeft
27 Apr 2017, 13:10
Forum: Dataset Discussion
Topic: BED92.v1 -
Replies: 0
Views: 3074

BED92.v1 -

I am making my database 'BED92.v1' available (including amphibole solid solution and melt models). This database is build on JUN92d.bs database (based on Berman, 1988 + modifications). Watch the header of the database to find a documentation of all changes. Comments are welcome ! You can download th...