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The modified quasichemical model I—Binary solutions

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Abstract

Further improvements to the modified quasichemical model in the pair approximation for short-range ordering in liquid and solid solutions are presented. The energy of pair formation is expanded in terms of the pair fractions rather than the component fractions, and coordination numbers are permitted to vary with composition. A formalism is introduced whereby the quasichemical equations are shown to be equivalent to the equations of an associate model if the pairs are formally treated as fractional associates. The model is applied to the liquid phase in a new optimization of the KCl-MgCl2 system.

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Authors and Affiliations

  1. the Centre de Recherché en Calcul Thermochimique, École Polytechnique de Montréal, H3C 3A7, Montreal, PQ, Canada

    A. D. Pelton (Professor), S. A. Degterov (Senior Research Associate), G. Eriksson (Managing Director), C. Robelin Ph.D. Student & Y. Dessureault (Project Manager)

Authors
  1. A. D. Pelton
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  2. S. A. Degterov
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  3. G. Eriksson
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  4. C. Robelin Ph.D. Student
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  5. Y. Dessureault
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Additional information

This article is based on a presentation made at “The Milton Blander Symposium on Thermodynamic Predictions and Applications” at the TMS Annual Meeting in San Diego, California, on March 1–2, 1999, under the auspices of the TMS Extraction and Processing Division and the ASM Thermodynamics and Phase Equilibrium Committee.

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Pelton, A.D., Degterov, S.A., Eriksson, G. et al. The modified quasichemical model I—Binary solutions. Metall Mater Trans B 31, 651–659 (2000). https://doi.org/10.1007/s11663-000-0103-2

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