A quasichemical lattice model for a binary mixture of hard rectangular parallelepipeds Application to systems composed of nematic and non-mesogenic molecules
作者:
E.P. Sokolova,
A.Yu. Vlasov,
期刊:
Liquid Crystals
(Taylor Available online 1990)
卷期:
Volume 8,
issue 1
页码: 47-61
ISSN:0267-8292
年代: 1990
DOI:10.1080/02678299008047329
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The hole lattice model of rectangular parallelepipeds is presented to describe the structural and excess thermodynamic properties of nematic-non-mesogenic mixtures. The molecular attractions are taken into account within the quasi-chemical approximation. A procedure for evaluating model parameters from data on the thermodynamic characteristics of pure components and the activity coefficients of the non-mesogen at infinite dilution at the nematic-isotropic transition temperature of the mesomorphic component is proposed. The mixing functions (enthalpy and volume), activity coefficient of the non-mesogen and the order parameters of the components are calculated at a molecular level for systems composed of 4-methoxybenzylidene-4′-propylaniline and a non-mesogen (tetrachlormethane, benzene andn-heptane). The calculated results are in quite good agreement with experiment in the temperature rang from 319·2 to 335·4 K.
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