> one of my students is using PHAST/PHREEQC for a term project and we would like to consider additional components. I am not quite sure how to do accomplish that at this point in time. For example, we would like to include a few chlorinated solvents as components (solution_master_species), which will particpiate in kinetic reactions. Could you let me know what is the best way to include new components? Here's an example that adds benzene plus kinetic decay. It should be enough to get you started. David SOLUTION_MASTER_SPECIES Benzene Benzene 0 C6H6 78 SOLUTION_SPECIES Benzene = Benzene log_k 0 SOLUTION Benzene 1 KINETICS Benzene_decay -formula Benzene 1.0 C6H6 -1.0 -m 0 -steps 86400 RATES Benzene_decay 10 k = .1/(3600*24) # 1/day 20 rate = -k*TOT("Benzene") 30 moles = rate * TIME 40 save moles END David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 Project web page: https://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 2289 since Jan 22, 1998.