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
Description: Binary data
Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.
Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government.
The URL of this page is:
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 1665 since Jan 22, 1998.