> Simulation 6 does not converge. I tried many versions combining Simulations 5 and 6 together as well as using the USE keyword for each solution and surface (USE surface 1, USE surface 2 etc). I also tried relaxing converging criteria within the KNOBS keyword, but this did not help either. This simulation runs on my Linux computer and also on Windows (PhreeqcI 2.8). There are "WARNING" messages, but unless there is an "ERROR" message, the calculation has completed successfully. At a quick look, your files look ok. Mass of uranium should be conserved. PHREEQC does not have a function for total uranium in a cell. You will have to calculate it from TOT("U") for the solution, SURF("U", surface) for each surface, and EQUI("mineral") for each mineral (plus multiplying by stoichiometric coefficients where necessary). It's kind of painful because you have a lot minerals, but you can do it once in USER_PUNCH. It is also possible to accumulate all the cells with PUT and GET but that gets a little obscure. David David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 Project web page: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled
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 1010 since Jan 22, 1998.