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Title:	FREZCHEM2 : a chemical thermodynamic model for electrolyte solutions at subzero temperatures
Authors:	Vernadsky Institute of Geochemistry and Analytical Chemistry United States. Army. Research, Development, and Standardisation Group (U.K.) Mironenko, Mikhail V. Grant, Steven A. Marion, Giles M. (Giles Michael) Farren, Ronald E.
Keywords:	Aqueous solutions Computer models Computer programs Freezing Chemical thermodynamics Evaporation Electrolyte solutions FORTRAN (Computer program language)
Publisher:	Cold Regions Research and Engineering Laboratory (U.S.) Engineer Research and Development Center (U.S.)
Description:	CRREL Report Abstract: This report documents a Fortran version of a chemical thermodynamic model for aqueous electrolyte solutions at subzero temperatures, FREZCHEM2, which is a further development of the FREZCHEM model. The model uses thermodynamic data of Spencer–Møller-Weare that permit the calculation of chemical equilibria in the Na–K–Ca–Mg–Cl–SO4–H2O system between –60 and 25°C at atmospheric pressure. It applies the Gibbs energy minimization method for chemical equilibrium computation combined with Pitzer equations for activity coefficients and water activity calculation. The model includes both the freezing (melting) reaction pathway at fixed water amount and the evaporation (dilution) pathway at fixed temperature. The FREZCHEM2 model can be extended with respect to independent components, electrolyte species, and solids, and if corresponding thermodynamic data are available, the model may be used to compute chemical equilibria in any systems that include aqueous-solution and/or one-component solid phases.
Rights:	Approved for public release; distribution is unlimited.
URI:	http://hdl.handle.net/11681/9230
Appears in Collections:	CRREL Report