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Re: Phreeqci

The problem is in the definition of the SOLUTION_MASTER_SPECIES and
SOLUTION_SPECIES. The way it was done, the program did not keep a proper
mole balance on Cl. Normally, the master species contains only H and O in
addition to the "element", and apparently mole balance does not work
correctly if the master species for X_di also includes Cl4.

Anyway, I have rewritten your input file so that the master species is
X_di. The Cl is not explicitly included, but I am assuming the species has
4 Cl. Thus, when X_di is removed by the kinetic reaction, 4 Cl are added to
solution. Note that the -formula adds only elements and does not add
charge. When you had Cl-, the "-" for charge does not have an effect.

I think this gives the answer you want and it should not take much cpu or
generate much output.


(See attached file: pce.pqi)
David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225

Attachment: pce.pqi
Description: Binary data

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