[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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.

David



(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



Project Home Page
Complete Water Resources Division Software
USGS Home Page
Water Resources Division Home Page
NRP Home Page
Help Page
USGS Privacy Statement       

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: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/mail/msg00358.html
Email:dlpark@usgs.gov
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 2516 since Jan 22, 1998.