Re: phreeqc 2.7

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

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




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