MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems

Computers & Geosciences
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Abstract

The computer code MBSSAS uses two-parameter Margules-type excess-free-energy of mixing equations to calculate thermodynamic equilibrium, pure-phase saturation, and stoichiometric saturation states in binary solid-solution aqueous-solution (SSAS) systems. Lippmann phase diagrams, Roozeboom diagrams, and distribution-coefficient diagrams can be constructed from the output data files, and also can be displayed by MBSSAS (on IBM-PC compatible computers). MBSSAS also will calculate accessory information, such as the location of miscibility gaps, spinodal gaps, critical-mixing points, alyotropic extrema, Henry's law solid-phase activity coefficients, and limiting distribution coefficients. Alternatively, MBSSAS can use such information (instead of the Margules, Guggenheim, or Thompson and Waldbaum excess-free-energy parameters) to calculate the appropriate excess-free-energy of mixing equation for any given SSAS system.

Additional publication details

Publication type Article
Publication Subtype Journal Article
Title MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems
Series title Computers & Geosciences
DOI 10.1016/0098-3004(91)90090-Z
Volume 17
Issue 7
Year Published 1991
Language English
Publisher Elsevier
Contributing office(s) Toxic Substances Hydrology Program
Description 60 p.
First page 907
Last page 966