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

Re: input of solution_master_species

> 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
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.


    Benzene       Benzene          0     C6H6            78
      Benzene = Benzene
      log_k 0
      Benzene     1
      -formula Benzene 1.0 C6H6 -1.0
      -m    0
      -steps      86400
10 k = .1/(3600*24)   # 1/day
20 rate = -k*TOT("Benzene")
30 moles = rate * TIME
40 save moles

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

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/msg00157.html
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 2796 since Jan 22, 1998.