> 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: http://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 22.214.171.124 and can be downloaded at the following URL: http://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
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