td-6axNCKFMASHTOm45 Dataset

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Mohammad_Miri
Posts: 4
Joined: 15 Mar 2019, 10:33

td-6axNCKFMASHTOm45 Dataset

Post by Mohammad_Miri »

Hi,

I want to use td-6axNCKFMASHTOm45 dataset to stdudy melt reactions and assembelages in some amphibolite and meta-gabbro samples with excess SiO2 and H2O. The bulk composition is

SI(57.2)TI(2.15)AL(11.5)FE(9.5)NA(3)MG(10.2)CA(13)K(0.8)O(170)

but Theriak does not make the stabe phases and instead shows amounts of the oxides. This is the first time I use this dataset and I do not know what wrong is with my THERIN file or the dataset.

Would you please help me?
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Jacob
Posts: 2
Joined: 14 Mar 2019, 01:30

Re: td-6axNCKFMASHTOm45 Dataset

Post by Jacob »

I was not able to replicate this specific problem, but part of the issue may be related to ferric iron unless you've already removed the solution phases that have some proportion of ferric iron. See the section from Doug Tinkhams website on using ferric-free systems in ds-6:

http://dtinkham.net/peq.html

I was able to get Theriak/Domino to run fine using the following input:

SI(57.2)TI(2.15)AL(11.5)FE(9.5)NA(3)MG(10.2)CA(13)K(0.8)O(?)O(0.01)

I am not an expert so perhaps others could be of more help, but I would start by trying something like that.
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Tao PENG
Posts: 7
Joined: 16 Nov 2017, 05:19

Re: td-6axNCKFMASHTOm45 Dataset

Post by Tao PENG »

Did you notice that in your THERIN, there's no H component?

Because H2O is excess in your system, you need to include H in your input.

maybe you can try this SI(57.2)TI(2.15)AL(11.5)FE(9.5)NA(3)MG(10.2)CA(13)K(0.8)H(30)O(?)
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Tao PENG
Posts: 7
Joined: 16 Nov 2017, 05:19

Re: td-6axNCKFMASHTOm45 Dataset

Post by Tao PENG »

Sorry, it's not because of missing H. It's because of missing "*" at the end of your input line. 

SI(57.2)TI(2.15)AL(11.5)FE(9.5)NA(3)MG(10.2)CA(13)K(0.8)O(170)      *
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Mohammad_Miri
Posts: 4
Joined: 15 Mar 2019, 10:33

Re: td-6axNCKFMASHTOm45 Dataset

Post by Mohammad_Miri »

Thank you for your suggestions

I have faced with a new problem now! When I run the Theriak with the corrected THERIN and td-6axNCKFMASHTOm45, it shows this fatal error:

 LIQMB16          :there is no data for qL1              in external subroutine

I tried to use this database in pervious versions of the TD but they did not work too.

Could anybody help me?
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Joshua Laughton
Posts: 3
Joined: 19 Apr 2020, 02:29

Re: td-6axNCKFMASHTOm45 Dataset

Post by Joshua Laughton »

Hi all,

I am also getting this same fatal error when trying to use the td-6axNCKFMASHTOm45 database with the 09.03.2019 version of TD:

"LIQMB16 :there is no data for qL1 in external subroutine"

Not sure how to fix this...
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Mohammad_Miri
Posts: 4
Joined: 15 Mar 2019, 10:33

Re: td-6axNCKFMASHTOm45 Dataset

Post by Mohammad_Miri »

Hi Joshua

The only way is to use Theriak-Domino 11.02.2015 executables for this dataset. This version perfectly works on Windows 7 (NOT Win 10). You can download it from this link

http://dtinkham.net/peq.html
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Blakelee
Posts: 2
Joined: 07 Nov 2018, 19:29

Re: td-6axNCKFMASHTOm45 Dataset

Post by Blakelee »

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
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