The quasi-lattice site-mixing model: The binary, symmetrical case

Details The quasi-lattice site-mixing model: The binary, symmetrical case The quasi-lattice site-mixing model: The binary, symmetrical case

Jul 1989

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1989gecoa..53.1675s&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 53, Issue 7, pp.1675-1680

Computer Science

Scientific paper

The quasi-chemical approximation in the quasi-chemical model was replaced with an empirical algorithm which satisfies mixing constraints not satisfied by the approximation. Unlike the quasi-chemical model, this "quasi-lattice" model will predict unmixing within the miscibility gap rather than a metastable composition with a positive free energy of mixing. For a solid solution (in which the exchange energy in each model is fixed by the critical temperature ) the two different models can predict similar miscibility gaps and values of thermodynamic parameters on the boundaries, indicating a lack of sensitivity to the site-mixing algorithms for these compositions. Temperature and compositional dependencies of the exchange energy are proposed to provide modifications of the predicted miscibility gap compositions.

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