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An attempt to correct the quasichemical model
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Computational Thermodynamics.ORCID iD: 0000-0001-5031-919X
2009 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 57, no 17, 5237-5244 p.Article in journal (Refereed) Published
Abstract [en]

An attempt was made to correct the quasichemical model to avoid predictions of negative configurational entropy when long-range order is impossible as in liquids. The attempt was successful for negative interaction energies but for positive interaction energies the simplest possible variant of the model predicted two narrow miscibility gaps. It was not possible to improve this by adding regular solution parameters. However, using the next possible variant of the correction term these difficulties may be avoided.

Place, publisher, year, edition, pages
2009. Vol. 57, no 17, 5237-5244 p.
Keyword [en]
Thermodynamics, Solution model, Liquid, Ordering, Miscibility gap
National Category
Materials Engineering Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-32448DOI: 10.1016/j.actamat.2009.07.026ISI: 000270691000030Scopus ID: 2-s2.0-69949159769OAI: oai:DiVA.org:kth-32448DiVA: diva2:410809
Note
QC 20110415Available from: 2011-04-15 Created: 2011-04-14 Last updated: 2017-12-11Bibliographically approved

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Selleby, Malin

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