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[OLD] LLNL/Wateq4f Database Discrepancies


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From: Henry Kerfoot

Subject: LLNL/Wateq4f Database Discrepancies

I am providing more details on the potential discrepancies between the Gwb/LLNL database

(included with the model) and other thermodynamic databases, such as Wateq4f. Specifically, there seem to be major discrepancies between the solubility products/formation constants forthe following compounds: FeS (troilite/pyrrhotite), AsS3 (orpiment), other metal sulfides.

In addition, there is a marked difference in the suite of solution sulfide species between the GWB/EQ3/6 database and the Wateq4f database and the GWB database doesn't contain FeAsS (arsenopyrite) at all. Does anyone know the reason(s) for these differences and which are more accurate (or, likely more accurately, who the main proponents are of each database)?

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