> 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
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