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