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Mineralogical Magazine; August 2002; v. 66; no. 4; p. 537-545; DOI: 10.1180/0026461026640047
© 2002 Mineralogical Society of Great Britain and Ireland
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Thermodynamics of mixing and ordering in the diopside –jadeite system: II. A polynomial fit to the CVM results

V. L. Vinograd1,2

1 Institut für Mineralogie, J. W. Goethe Universität, Senckenberganlage 30, 60054 Frankfurt, Germany
2 Institut für Mineralogie, Universität Münster, Corrensstrasse 24, D-48149 Münster, Germany

* E-mail: vinogra{at}uni-muenster.

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: thermodynamics, cluster variation method, Redlich-Kister polynomial expansion, diopside–jadeite–hedenbergite system




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