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how to add smectite minerals to phrqpitz dataset

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I was wondering how would I go about adding minerals like stevensite to the phrqpitz data set and can i use the constants used for smectites in thermo data set.



Dear Rahul:


General instructions for adding minerals to thermo databases can be found in the Appendix: Thermo Datasets in the GWB v8 Reference manual.


Adding data to a Pitzer database is a far trickier business- for this, I suggest that you refer to the original Harvey-Moller-Weare compilation and PHRQPITZ documentation:


Harvie, C.E, N. Møller and J.H. Weare, 1984, The prediction of mineral solubilities in

natural waters: The Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system to high

ionic strengths at 25°C. Geochimica et Cosmochimica Acta 48, 723–751.


Plummer, L.N., D.L. Parkhurst, G.W. Fleming and S.A. Dunkle, 1988, PHRQPITZ —

A computer program incorporating Pitzer’s equations for calculation of geochemical

reactions in brines. U.S. Geological Survey Water-Resources Investigations Report

88–4153, 310 p.




Tom Meuzelaar

RockWare, Inc.

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