Re: Interactive PHREEQC and Customizing Database

["David L Parkhurst" <dlpark@xxxxxxxx>]

> Specifically, the database(s) of course do not contain solution species
or
phases for technetium.

The database llnl.dat has data for aqueous species and solid phases of
technetium. They are defined using the chemical symbol "Tc".  You can use
this database as a starting point for any modifications or additions.

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



                                                                                                                
                      Scott R Charlton                                                                          
                                               To:      "Dean, Paul V." <PAUL.V.DEAN@xxxxxxxx>, David L         
                      08/06/02 04:00 PM        Parkhurst/WRD/USGS/DOI@xxxx                                      
                                               cc:      h2osoft@xxxxxxxx                                        
                                               Subject: Re: Interactive PHREEQC and Customizing Database        
                                               (Document link: David L Parkhurst)                               
                                                                                                                



Paul,
I'm forwarding your questions to David Parkhurst who unfortunately is on
vacation
until August 12.  Based upon your phone message it sounded like you may not
have the most recent version of PhreeqcI.  The current version of PhreeqcI
is 2.6.0.1
and can be downloaded at the following URL:
    https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html

Until David returns you may want to look at Example 1(ex1.pqi)  included in
the
examples directory and described in the "User's Guide to PHREEQC (Version
2.0)"
if you haven't already done so.  Example 1 describes the preferred method
of
expanding a database by adding uranium to the currently selected database
within the input file itself.

The user's guide can be accessed from the Start menu under  the following:
    Start->Programs->Phreeqci 2.6->User's Guide to PHREEQC (Version 2.0)
or accessed from PhreeqcI itself from the menu item Help->User's Guide...

Note that the currently selected database for a input file can be selected
by
right-clicking within the file itself and selecting the properties menu
item.  Or you
can set the default database through the Options->Set Default Database...
menu
item and any newly created input files will use that database.

Also note that by default the toolbar required to add solution species and
phases
to the model is not visible.  You can make it visible by selecting the
View->Toolbars->Stoichiometry and thermodynamic data menu item.

Scott Charlton
U.S Geological Survey
Box 25046, MS 413
Denver Federal Center
Denver, CO 80225









                                                                                                                
                      "Dean, Paul V."                                                                           
                      <PAUL.V.DEAN@xxx         To:      "'charlton@xxxxxxxx'" <charlton@xxxxxxxx>               
                      c.com>                   cc:                                                              
                                               Subject: Interactive PHREEQC and Customizing Database            
                      08/06/2002 02:17                                                                          
                      PM                                                                                        
                                                                                                                
                                                                                                                



Mr. Charlton -

Sorry I missed your call; I was on a conference call.

I am working under contract for DOE's Paducah facility to monitor the
speciation and transport of technetium in the groundwater.  A secondary
objective would be to account for observed water compositions along various
flow lines (although funding issues may defer that until later).

I am still a neophyte regarding PHREEQC and would appreciate any tutorial
or
help you might be able to afford me as I climb the learning curve.

Specifically, the database(s) of course do not contain solution species or
phases for technetium.  I have a lead on some fundamental chemistry for
technetium, but if you or your colleagues could suggest a reference, please
let me know.

Also, although I (think I) can add technetium solution species and
equilibrium and thermodynamic data to llnl or minteq databases, I'm not
sure
how to do so with PHREEQCI2.

In general, I could use some pointers in becoming more proficient.  I don't
want to be a pest, but any help you could be would be appreciated.  Is
there
a better day or time of day to contact you?

Thank you for any help.

Paul V. Dean, P.E.
SAIC
703.810.8973