I need to calculate solubility constants for some minerals, I intend to use them for geochemical modeling. I've searched for these contants in EQ3/6, Thermoddem and SUPRCTBL, however some minerals are missing on the databases, for example Andesine, which is one of the key minerals on my simulation.
I have seen that in some papers, the the log K values are derived using SUPCRT or EQ3/6. The authors use the mineralogical characterization (from microprobe data for example) and theoretical formulas, either using a solid solution approach or directly, however the detailed methodologies are not explained. The available information in this regard is also scarce. I am able to calculate log K values for defined minerals (in the databases) in SUPRCTBL but I do not know how to calculate the values for new minerals.
Any advice in this regard is warmly received, bibliography, tutorial......
Thanks in advance.
Yes, the database is fixed and you can not calculate the equilibrium constant for missing minerals, but still you can have a try on this online website (supcrt)
http://geopig3.la.asu.edu:8080/GEOPIG/pigopt1.html
or you can use other software such as HCh (shvarov, 1999). the database can be added by yourself.
http://www1.geol.msu.ru/deps/geochems/soft/index_e.html
Zhang Shaoying thanks, I will have a look to the second link. I used this version of SUPRCRT which is also nice:
http://149.165.169.51/supcrtbl2.php
You may check this page https://hydrogeochem.earth.indiana.edu/software/index.html
Inocente Espinoza thanks. I have been working with the tools from the site you recommend, however my problem persisted since the constants for the minerals I need are missing as well.
Well then, I suggest you consult this page,
http://gems.web.psi.ch/TDB/
I think you can add to the SUPCRT92 database the thermodynamic properties of the mineral phase in which you are working. think you can add to the SUPCRT92 database the thermodynamic properties of the mineral phase in which you are working.
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