Critical properties of non-spherical molecule fluids from the virial expansion
作者:
JĬRÍ JANEČEK,
TOMÁŠ BOUBLÍK,
期刊:
Molecular Physics
(Taylor Available online 2000)
卷期:
Volume 98,
issue 2
页码: 93-99
ISSN:0026-8976
年代: 2000
DOI:10.1080/00268970009483272
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Critical constants of pure fluids (as important reference data in constructing vapour-liquid phase diagrams and basic input of various estimation methods) were determined for systems of non-spherical Kihara molecules; values of the critical temperature, density, compression factor and pressure of fluids composed of prolate and oblate molecules were evaluated from the fourth-order virial expansion. The second and third virial coefficients of the Kihara molecules were determined by applying the recently proposed method in which the effect of molecular core geometry and functional dependence of a pair interaction on the surface-surface distance are factorized and the former contribution determined from a formula for the corresponding hard convex body virial coefficient. The virial expansion for non-spherical Kihara molecules is applied to determine the critical constants ofn-alkanes (methane to octane) and cyclic hydrocarbons (cyclopentane, cyclohexane, benzene and naphthalene); a fair agreement with experimental data was found.
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