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