> I have a need to learn and apply phase chemistry and mass balances to the system K, Mg, Na, Cl, SO4, H2O at various temperatures and various % Saturation's for KCl & NaCl. This includes evaporation schemes to recover salts from brines. At weaker concentrations I may need to be concerned with Ca, but most of the work will be done at concentrations where Ca is essentially insoluble. > I have experience in simple systems like K-Na-Cl-H2O but the above complex system I have difficulty with. With my limited knowledge I believe the fields I will have interested in will be glaserite(aphthitalite), schoenite(picromerite), leonite, kainite, and carnallite in addition to the KCl and NaCl. Will Web-Phreeqc or another commercial version do this work? PHREEQC uses an ion-association model for the thermodyanamics of aqueous solutions, and it works best at relatively low ionic strengths. The model will run for more concentrated solutions, but results will be qualitative at best. It will tend to work better in sodium-chloride dominated systems. For the calculations you want to make, you need to use a specific interaction model, usually termed the Pitzer approach. We have a program called PHRQPITZ (http://water.usgs.gov/software or https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phrqpitz) that implements this approach, however, it is pretty dated and not very easy to use. There is a program TEQUIL, that John Weare has written (http://www.sdsc.edu/TEQUIL) that will make these calculations. To be honest, I have never gotten the version to work on my computer, but perhaps you will have better luck. The Geochemist's Workbench (commercial) and EQ3/6 (Lawrence Livermore National Lab) have implementations of the Pitzer approach. David David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225
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