Search found 9 matches

by Blakelee
05 Feb 2022, 15:27
Forum: Dataset Discussion
Topic: td-6axNCKFMASHTOm45 Dataset
Replies: 10
Views: 40779

Re: td-6axNCKFMASHTOm45 Dataset

Dear Fabrizio, You can use editor such as notepad to open the fsol.f90 file and edit the external subroutines for LIQMB16 model. It includes three parts: SOLINI, SOLMOD and SOLCAL (Please reference to Page 75). You may mimic what already existed in the fsol.f90 such as Liquid model "LIQtc"...
by Blakelee
05 Oct 2021, 11:35
Forum: Installation and Operation
Topic: Problems running Theriak Domino on Windows 10 using the latest dataset tcds62cid and td-6axNCKFMASHTOm45
Replies: 2
Views: 31468

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

Hi Otavio,

Maybe something wrong with your bulk composition input, do you multiply by 2 when you deal with AL, NA, K and H?

Kind regards!
Blakelee
by Blakelee
02 Jul 2021, 15:53
Forum: General Discussion
Topic: Floating 'K' in assemblage
Replies: 7
Views: 15883

Re: Floating 'K' in assemblage

Hi Will, I have checked further and now i am sure that the right O vaule should be 163.6655, not 163.665, and i guess K is adjacent to O in your input file, if so, that means the excess K would leave alone after all O have been assigned to the other cations. A question mark O(?) allows the system to...
by Blakelee
01 Jul 2021, 13:23
Forum: General Discussion
Topic: Floating 'K' in assemblage
Replies: 7
Views: 15883

Re: Floating 'K' in assemblage

Hi Will, Sorry for my late response! I use your bulk info: 0 MN(0.116)NA(3.914)CA(1.358)K(4.952)FE(5.769)MG(3.373)AL(24.839)SI(55.019)TI(0.660)H(60)SI(30)O(?) * as input file and run Theriak.exe randomly to check the output results, it seems everything goes well and i havn't find a 'K' phase as you ...
by Blakelee
26 Jun 2021, 09:16
Forum: General Discussion
Topic: Floating 'K' in assemblage
Replies: 7
Views: 15883

Re: Floating 'K' in assemblage

Hi Will,

Could you please upload the bulk composition file so that we may reproduce the error and find out what's wrong? I guess you assign too much K content in the input file to leave the excess K.

Kind regards!
Blakelee, PHD student
by Blakelee
23 Apr 2021, 07:21
Forum: Installation and Operation
Topic: Read error for solution models with large multiplicities
Replies: 6
Views: 14816

Re: Read error for solution models with large multiplicities

Dear Pierre and dolejs, Prof. Pierre is right, i once asked Prof. de Capitani the same question and he explained this as follows: " With the THERMOCALC database it becomes clear, that the "-" is needed. DQF has three parameters a,b, and c. The correction is a + b*T + c*P (1) (note the...
by Blakelee
12 Nov 2020, 13:14
Forum: Dataset Discussion
Topic: Problems with the dataset td-tcds62-6axmn-03
Replies: 5
Views: 31725

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

Hi Arthur Santos, I suggest you have a try the recently updated version 20201103, which can be available from the URL below: https://titan.minpet.unibas.ch/minpet/theriak/theruser.html. I have attained some good results using this version when constructing phase diagrams for a mafic eclogite, so i b...
by Blakelee
29 Jun 2020, 01:39
Forum: Dataset Discussion
Topic: td-6axNCKFMASHTOm45 Dataset
Replies: 10
Views: 40779

Re: td-6axNCKFMASHTOm45 Dataset

Hi,

LIQMB16 :there is no data for qL1 in external subroutine

Thus you need edit the fsol.f90 file for LIQMB16 solution because it needs external subroutine to calculate end-member activities, you can read TheriakDominoGuideBOOK that tell you how to edit it.

Best wishes,

Blakelee, PHD student
by Blakelee
20 Dec 2019, 08:52
Forum: Dataset Discussion
Topic: Solution model of Zr-bearing rutile
Replies: 1
Views: 11692

Re: Solution model of Zr-bearing rutile

Hi, The following is solution model of Zr -bearing rutile model I code by the info you provided, it works well in my Theriak-Domino 2018 version. Please let me know if you find some errors in the code. !========================================================================================= !======...