On the multicomponent polynomial solution models

Saulov, Dmitry (2006) On the multicomponent polynomial solution models. Computer Coupling of Phase Diagrams and Thermochemistry, 30 4: 405-414. doi:10.1016/j.calphad.2006.07.005

Author Saulov, Dmitry
Title On the multicomponent polynomial solution models
Journal name Computer Coupling of Phase Diagrams and Thermochemistry   Check publisher's open access policy
ISSN 0364-5916
Publication date 2006
Sub-type Article (original research)
DOI 10.1016/j.calphad.2006.07.005
Volume 30
Issue 4
Start page 405
End page 414
Total pages 10
Editor Larry Kaufman
Z.-K. Liu
Place of publication United Kingdom
Publisher Pergamon
Collection year 2006
Language eng
Subject C1
291899 Interdisciplinary Engineering not elsewhere classified
780102 Physical sciences
Abstract The present study addresses the problem of predicting the properties of multicomponent systems from those of corresponding binary systems. Two types of multicomponent polynomial models have been analysed. A probabilistic interpretation of the parameters of the Polynomial model, which explicitly relates them with the Gibbs free energies of the generalised quasichemical reactions, is proposed. The presented treatment provides a theoretical justification for such parameters. A methodology of estimating the ternary interaction parameter from the binary ones is presented. The methodology provides a way in which the power series multicomponent models, where no projection is required, could be incorporated into the Calphad approach.
Keyword Power series models
Projected models
Calphad approach
Probabilistic interpretation
Generalised quasichemical reaction
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
2007 Higher Education Research Data Collection
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Citation counts: TR Web of Science Citation Count  Cited 7 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 7 times in Scopus Article | Citations
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Created: Wed, 15 Aug 2007, 10:17:03 EST