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Thermodynamics of mixing and ordering in the diopside–jadeite system: II. A polynomial fit to the CVM results

Published online by Cambridge University Press:  05 July 2018

V. L. Vinograd
V. L. Vinograd*
Affiliation:
Institut für Mineralogie, J. W. Goethe Universität, Senckenberganlage 30, 60054 Frankfurt, Germany Institut für Mineralogie, Universität Münster, Corrensstrasse 24, D-48149 Münster, Germany
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Abstract

In Part I (Vinograd, 2002) the relationship between temperature, composition and free energy of the diopside–jadeite solid solution was described using a CVM model. Here the same relationship is described using a combination of Redlich-Kister (RK) polynomials and Gaussian functions. The use of the Gaussians permits an accurate description of the free energy dip centred at Jd50, which is caused by the long-range ordering, while the effect of the short-range ordering can be easily modelled using the RK polynomial The simplified RK-Gaussian description is extended to the three-component diopside–jadeite–hedenbergite solid solution. The polynomial description permits an easy incorporation of the derived activity-composition relations into phase-equilibrium computation software.

Keywords

thermodynamicscluster variation methodRedlich-Kister polynomial expansiondiopside–jadeite–hedenbergite system
Type
Research Article
Information
Mineralogical Magazine , Volume 66 , Issue 4 , August 2002 , pp. 537 - 545
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2002

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