CONFORMATIONAL EQUATION OF STATE FOR FLUIDS OF CHAIN MOLECULES

被引：4
作者：
GUPTA, S
MCLAUGHLIN, E
机构：
[1] Department of Chemical Engineering, Louisiana State University, Baton Rouge, LA
来源：
MOLECULAR PHYSICS | 1990年 / 70卷 / 03期
关键词：
D O I：
10.1080/00268979000101101
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
This paper discusses the mathematical formulation of the modelling of fluids of chain molecules as fluid mixtures of molecular conformations with the concentration of these conformations obtained through a constrained free-energy minimization. Thermodynamic relationships can then be applied to obtain other properties, and an approximation is derived for the virial coefficients of chain molecules. Problems regarding the implementation of this approach through the virial equation at low densities and the generalized van der Waals equation of state at higher densities, and possible solutions to these, are also discussed. Feasibility studies for the case of n-octane show agreement with the experimental observations regarding the molecular shape in gas and liquid phases. © 1990 Taylor & Francis Ltd.
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页码：433 / 442
页数：10
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