Hi Dave, The new window version of PhreeqcI is fantastic. I have used the older version, but this is a significant step up. Great work from you and your team. So I have two questions, I know you are busy, but if you can help with 1) In example 9 the oxidation of Fe(II), could not the decoupling of Fe(III) and Fe (II) be more simply done by removing the Fe(III) to Fe(II) relationship instead of redefining variables. 2) This is actually my main question. I am interested in exploring the role of the solid phases during kinetic reaction. Again using example 9, as the reaction progresses, the solution very quickly becomes super saturated with goethite. Is there some way of using basic to get the goethite to precipitate out as the SI is reached. Sort of IF SI > 0 THEN goethite precips. Setting the system in equilibration with goethite does not really work because it will force this to happen, very early in the evolution of the reaction before enough Fe(III) is produced. Any thoughts would be appreciated. dave ____________________________________ David T. Long Professor Aqueous & Environmental Geochemistry Department of Geological Sciences 206 Natural Science Building Michigan State University East Lansing, MI 48824-1115 1.517.353.9618 phone 1.517.353.8787 fax long@xxxxxxx http://www.cevl.msu.edu/~long -----Original Message----- From: David L Parkhurst [mailto:dlpark@xxxxxxxx] Sent: Thursday, October 18, 2001 6:22 PM To: phreeqc_list@xxxxxxxxxxxxxxxxxxxxxx Subject: Completion of PhreeqcI Release of: PhreeqcI RC1 (Release Candidate 1, Interactive version) PHREEQC Version 2.5 (Batch version) Database llnl.dat 1.11 Status: PHAST 0.3 PhreeqcI RC1 (Interactive version): PhreeqcI is now complete and available for final testing. All design features have been implemented and screen-driven input for all keyword data blocks is available. PhreeqcI RC1 is based on PHREEQC version 2.5. This version of PhreeqcI is expected to be the last version before the official release of the program. PHREEQC Version 2.5 (Batch version): This release includes only minor additions and bug fixes relative to version 2.4.2. A feature has been added to allow elements to be defined using brackets (""). Any characters, including numbers, within the brackets are treated as the element name. This was introduced to simplify expansion of the model to isotopic species. [13C], [14C], and [18O] are legal element names. Several bugs have been fixed in the code, for more information see RELEASE.TXT in distribution or the status page at https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc. Current versions for Windows, Linux, and Solaris are now available at https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc and will soon be added to http://water.usgs.gov/software. Database llnl.dat (version 1.11): Sign errors in log K were fixed for redox reactions for some rare earth elements (REE). Some redundant REE species were removed, generally ReeO2- was retained and Ree(OH)4- was removed. PHAST 0.3: The current beta test version of PHAST is 0.3. There have not been any reported bugs for this version. No additional features are planned before release of the program. BUGS: Report to dlpark@xxxxxxxxx David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225
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