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Re: Databases PhreeqC

The llnl.dat database released with PHREEQC and PhreeqcI contains the
elements Cr, Mo, and V. This database is essentially the same as the
databases used by EQ3/6 and Geochemist's Workbench. I have little
experience in modeling these trace metals, so I do not have an
understanding of the goodness of the thermodynamic data for these elements.
However, the llnl.dat database could serve as a starting point for your

The minteq.dat database has Cr and V, which you could check for consistency
with llnl.dat.

I suspect sorption (SURFACE definitions in PHREEQC) will be important for
these trace metals, so you may have to develop a surface complexation model
for the elements as well.


David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225

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