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Re: usage of PHReeqc


It is possible to use the model for the calculations you describe. As the
model is distributed, the minteq.dat database has some EDTA species. You
can either use this database, or I would prefer adding the species to one
of the other databases (phreeqc.dat, wateq4f.dat, or llnl.dat). I am not
very confident of this version of the minteq database. You should probably
check the EDTA constants in any event.

Given EDTA thermo data, you can use PHREEQC for local equilibrium modeling.
If you want kinetics, it is still possible, but more work to define the
reactions and the rate expressions.

David

David Parkhurst (dlpark@xxxxxxxx)
U.S. Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225


                                                                                                                                   
                      Thabo Kumaran                                                                                                
                      <TKumaran@xxxxxxxx         To:      dlpark@xxxxxxxx                                                          
                      arch.co.nz>                cc:                                                                               
In-Reply-To: <3A6E0564.386D9D4F@xxxxxxxxxxx>
                                                 Subject: usage of PHReeqc                                                         
                      01/24/01 03:27 AM                                                                                            
                                                                                                                                   
                                                                                                                                   



Dear sir,

I am interested in your model. I am just wondering whether PHREEqc could
be used to model the Metal-EDTA transport process in soil. It should be
able to simulate the metal-EDTA complexation during EDTA leaching
through a contaminated soil and also do calculations for transfomations
reactions like metal-EDTA to Fe-EDTA inlater times.

Could you comment on this pls.

Regds
Thabo

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