Dear Gisela,
I have no experience with running the ds62 in theriak. However, using
the ds55 and the 2012 version of theriak, it sometimes happens that
spurrious unconnected points or small loops are calculated. The
corresponding reactions look, for example, something like
PLC1 BI07 ILM0 O H2O q and = PLC1 BI07 ILM0 H2O q and
The assemblages on both sides are identical, with the exception of some
extra oxygen appearing on one side of the reaction. My interpretation is
that this is related to problems with handling oxygen in Fe3+ bearing
systems. This can be simply resolved by removing these points by hand
from the final diagram.
Sometimes, small line segments are calculated that appear to define a
single line, but are not connected. When looking in the table, all the
segments do correspond to the same reaction. The solution is then again
to connect them by hand in the final diagram.
Finally, sometimes some lines are not calculated at all, although they
should be there when one examines the topology of the diagram. My
approach is then to calculate them with THERMOCALC using the same mixing
models. It generally works very well and without major problems.
So I believe that the first step in your case would be to identify
carefully the broken lines and see to what exactly they correspond (in
the table file). Some are clearly artefacts, and after examination could
be deleted. Others could be recalculated with thermocalc.
It does not exactly answer your question, but I though could give you
some hints about how to proceed...
I'd be interested in knowing what the solution was, if you manage to
find it.
Good luck!
Cheers,
Pavel
Le 07/05/2018 à 11:50, Gisela Leoz Munte a écrit :
> Dear colleagues,
>
> I'm having some trouble with the generation of some phase diagrams with
> the program THERIAK-DOMINO. I'm trying to plot the composition of a
> High-K mica rich metapelitic schist and of a qz rich semipelitic gneiss
> in aims to constrain their P-T metamorphic conditions. After calculating
> the local bulk composition of my samples, the outputed diagrams show
> some problematic areas with some strange instabilities (see those lines
> interrupting the diagram; see attached images) of wich I cannot
> establish its origin, as I find myself unable to locate the problem that
> causes them.
>
> Has anyone encountered this before? If so, anyone knows how can I fix
> the problem? I'm using the td-tcds62-6axmn-03.txt database, and I've
> been able to plot the T-X diagram with it, but not the P-T diagrams.
>
>
> Thanks in advance! Any help would be highly appreciated
>
>
> Gisela Leoz
>
>
--
Pavel PITRA
Géosciences Rennes [log in to unmask]
Université Rennes 1 tel: (++33) 2.23.23.65.06
Campus de Beaulieu - Bat. 15
F - 35 042 RENNES CEDEX
FRANCE http://www.geosciences.univ-rennes1.fr/
https://geosciences.univ-rennes1.fr/interlocuteurs/pavel-pitra
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