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Modifying PHREEQc database for use in GWB


jbanks
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Hi,

New to the forum; this is my first post:

I have a Pitzer thermodynamic database made by a third party ("Quintessa") for use with PHREEQc. Does anyone know how/if I can modify it for use with the GWB. I've attached the database here for reference. This is by far the most versatile Pitzer database I've come across...

Thanks,
Jonathan

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  • 3 weeks later...

Hello Jonathan, it's good to hear that you've found the PHREEQC version of the Pitzer database to be useful.

I was part of the team that produced the PHREEQC version from the original EQ3/6 version that was developed by Sandia labs. The work was funded by NWMO in Canada ( http://www.nwmo.ca/).

Although NWMO funded the work, they did kindly allow us to make the database freely available to interested parties provided that we maintain a list of users of the database on their behalf, and that all requests for further copies came through us, rather than individuals freely re-distributing the database. This will have been stated in the original email sent to the person from whom your copy originates.

Therefore we would appreciate it if you would remove the copy of the database that you attached to your post. Copies can instead be obtained by contacting us here: http://www.quintessa.org/latest-news/phreeqc-pitzer-database.html

Regarding your question it would be possible to convert the PHREEQC copy of the database to GWB format. However it would be much easier to use Sandia's original EQ3/6 version as the starting point for conversion since the GWB database format is more similar to EQ3/6 format than to PHREEQC. The documentation that we provide with the database (obtained via the link above!) provides some details of the issues surrounding thermodynamic database conversion.

Thanks again for your interest, and best regards,

Steve

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  • 4 weeks later...

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