I take it you don't think PHREEQC and PhreeqcI are intuitive, easy-to-use programs. Hopefully, I can help get things working again. If PHREEQC can't find solution 1, then a definition is missing or ignored for some reason. Solution 1 must be defined with a SOLUTION, SOLUTION_SPREAD, or SAVE datablock before it can be used in MIX data block. Redox definitions are admittedly tricky. They require both SOLUTION_MASTER_SPECIES and SOLUTION_SPECIES definitions. It is further confused by primary master species and secondary master species. Quickly, PHREEQC expects one primary master species (SOLUTION_MASTER_SPECIES) defined with an element name (one capital letter followed by zero or more lower case letters or a string enclosed in brackets ). For redox you would have 2 or more secondary master species defined with the element name followed by an integer in parentheses to identify the redox state. The integer can be arbitrary because it has no meaning to the program other than identification. An aqueous species is identified with each element name and element redox state name. The species associated with the primary master species (element name, no parentheses) must also be associated with one of the secondary master species (element name followed by integer in parentheses). Every aqueous species associated with a master species must be defined in SOLUTION_SPECIES as well as any other aqueous species for the element. Example 1 defines three redox states of uranium. If you send me your files, I will try to help. BTW, the latest versions of PHREEQC and PhreeqcI are version 2.8, but they have few changes relative to 2.7, so I don't think the newest version will make much difference with your definitions. 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 h2osoft Sent by: Kathleen To: slmgmiller@xxxxxxxxxxxx, David L M Flynn Parkhurst/WRD/USGS/DOI@xxxx cc: h2osoft@xxxxxxxx Subject: Re: phreeqc 2.7(Document link: David L Parkhurst) 06/11/03 05:32 AM With this message, I am forwarding your request to the author (Dave - with your response, please reply to all to include a cc to h2osoft for the e-mail archive.) Kate Flynn U.S. Geological Survey Office of Surface Water slmgmiller@xxxxx ape.net To: h2osoft@xxxxxxxx cc: 06/11/2003 04:15 Subject: phreeqc 2.7 AM What in the world is going on with pHREEQC? I am really disappointed and frustrated with how difficult the new program is to use. I am trying to add redox data and mix solutions with the model. 1. These are things I used to be able to do with the previous release. 2. I keep getting error messages and can find no REAL help in the user's manual. As a result, I no longer have a clue how to add redox data, and I can't find how to add it. And I can't get solutions to mix because the program "can't find solution 1"!!!!!#$*&#* The available help is useless. Yes I am mad right now, and I'll get over it in the morning. But I would really like to find out HOW to do these simple tasks. The survey normally has such good software that doesn't require a Ph.D. to run. Or at least a decent user's manual that allows one to figure things out. Please advise. scott __________________________________________________________________ McAfee VirusScan Online from the Netscape Network. Comprehensive protection for your entire computer. Get your free trial today! http://channels.netscape.com/ns/computing/mcafee/index.jsp?promo=393397 Get AOL Instant Messenger 5.1 free of charge. Download Now! http://aim.aol.com/aimnew/Aim/register.adp?promo=380455
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