[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: PHREEQ program




> As I told you before I am doing my own database for cement and concrete
materials, and I would like to introduce in the database a new compound
that has been never introduce before, because its solubility it was
unknown. We calculated the solubility and the species in solution and I
want to introduce the compound in the database, but I am rather confuse
how to do this.

> Please, could you tell me how to calculate logK with the solubility and
the species in solution?

First, you need to write a balanced chemical reaction for the dissolution
of your phase and write a mass-action expression in log form.

Second, you should define a SOLUTION with the water chemical composition
that you have determined is in equilibrium with the phase and run it with
PHREEQC. Then you can use the log activities for the aqueous species from
the PHREEQC calculation and plug them into the mass-action expression to
calculate the log K.

David

Then all you need to do is use the

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




Project Home Page
Complete Water Resources Division Software
USGS Home Page
Water Resources Division Home Page
NRP Home Page
Help Page
USGS Privacy Statement        Disclaimer

Please note that some U.S. Geological Survey (USGS) information accessed through this page may be preliminary in nature and presented prior to final review and approval by the Director of the USGS. This information is provided with the understanding that it is not guaranteed to be correct or complete and conclusions drawn from such information are the sole responsibility of the user.

Any use of trade, product, or firm names in this publication is for descriptive purposes only and does not imply endorsement by the U.S. Government. 


The URL of this page is: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/mail/msg00631.html
Email:dlpark@usgs.gov
Last modified: $Date: 2005-09-13 21:04:21 -0600 (Tue, 13 Sep 2005) $
Visitor number 1156 since Jan 22, 1998.