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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.


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

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