Shape Effects in Molecular Liquids:  Phase Equilibria of Binary Mixtures Involving Cyclic Molecules

Using the statistical association fluid theory−hard spheres (SAFT-HS) equation of state for chain molecules and its recent extension to ring molecules, phase diagrams for model mixtures of types (m 1-sphere chain + m 2-sphere chain) and (m 1-sphere chain + m 2-sphere ring) have been calculated. The...

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Bibliographic Details
Published in:The journal of physical chemistry. B 1997-12, Vol.101 (51), p.11243-11248
Main Authors: Filipe, Eduardo J. M, Pereira, Luís A. M, Dias, Lino M. B, Calado, Jorge C. G, Sear, Richard P, Jackson, George
Format: Article
Language:English
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Summary:Using the statistical association fluid theory−hard spheres (SAFT-HS) equation of state for chain molecules and its recent extension to ring molecules, phase diagrams for model mixtures of types (m 1-sphere chain + m 2-sphere chain) and (m 1-sphere chain + m 2-sphere ring) have been calculated. The influence of chain length, relative sphere size, relative mean-field attraction, and reduced temperature has been investigated. In a first ever application of the SAFT-HS model to cyclic molecules, the theoretical predictions have been compared with experimental data for a variety of systems involving both chain and cyclic molecules. The experimental results confirm the predictions of the theory for the effect of a cyclic molecular structure on the phase behavior of binary mixtures.
ISSN:1520-6106
1520-5207
DOI:10.1021/jp9726551