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Re: PhreeqC -- thanks

Many thanks for the prompt response.  It is encouraging to know that you
linked phreeqC with a fortran solute transport model, and the computational
efficiency was good.

Some of the possibilities I can think are (1) link the fortran solute model
to Phreeqc through a DLL, (2) write results of phreeqC, and the fate and
transport model at each iteration/time step to a disk and read (for each
module) -- this could slow things if we simulate a large 3D problem for a
lengthy duration!. Did you use a different approach? There are a few
software that can convert a C program into a Fortan but it is a little risky
with complex programs.

I very much appreciate your help in this matter.


----- Original Message ----- 
From: "David L Parkhurst" <dlpark@xxxxxxxx>
To: "Ashok Katyal" <ashok@xxxxxxxxxx>
Sent: Wednesday, October 08, 2003 2:45 PM
Subject: Re: Phreeqe

> phreeqC is definitely the superior model relative to phreeqE. The types of
> chemistry include surface complexation, solid solutions, and general
> kinetics, which are not available with phreeqE. Input for phreeqC is much
> simpler. There are many other improvements and features that are present
> phreeqC.
> We have linked phreeqC with a Fortran solute transport model and have not
> had any problems with computational inefficiency related to mixing the
> languages.
> David
> 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
>                       "Ashok Katyal"
>                       <ashok@xxxxxxxxxx        To:       <dlpark@xxxxxxxx>
>                       >                        cc:

>                                                Subject:  Re: Phreeqe
>                       10/08/2003 11:30
>                       AM
> Dear Dr. Parkhurst:
> We are planning to link a variably saturated 3D flow, and fate and
> transport model with Phreeqe/Phreeqc that you have developed.  After
> reading USGS website I found that "PHREEQE is now obsolete and has been
> replaced with the program PHREEQC".  Our fate and transport model is in
> FORTRAN, and linking with PHREEQC (written in C) may not be
> as efficient as linking with PHREEQE (fortran version) -- although
> a DLL may be an option worth investigation.  We will appreciate any advise
> you may have for us in this matter.
> Many thanks.
> Ashok Katyal, Ph.D.
> Principal Enginner
> RASI Inc.
> 540-953-1555

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