On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium

A generalized Van der Waals approach is developed for anisotropic fluids in disordered porous media. As the reference system a hard spherocylinder fluid in a disordered porous medium is considered and described in the framework of the scaled particle theory with the Carnahan-Starling and Parsons-Lee...

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Main Authors: M.F. Holovko, V.I. Shmotolokha
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2020-03-01
Series:Condensed Matter Physics
Subjects:
Online Access:https://doi.org/10.5488/CMP.23.13601
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spelling doaj-6f054c76a56747c29a60a09b326b7f222020-11-25T01:38:28ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2224-90792020-03-012311360110.5488/CMP.23.13601On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous mediumM.F. HolovkoV.I. ShmotolokhaA generalized Van der Waals approach is developed for anisotropic fluids in disordered porous media. As the reference system a hard spherocylinder fluid in a disordered porous medium is considered and described in the framework of the scaled particle theory with the Carnahan-Starling and Parsons-Lee corrections. The attractive part of interaction is treated in the framework of the mean field approximation in which due to orientational dependence of the excluded volume of two spherocylinders, a coupling between attractive and repulsive contributions is found. We focus on spherocylinder fluids with sufficiently long particle lengths for which the nematic-nematic transition was established. It is shown that these two nematic phases have different densities and are characterized by different orientational ordering. Strong influence of the type of interparticle attraction on the phase behaviour of anisotropic fluids in disordered porous media is established. Three simple models for this purpose are considered, namely a model with the Lennard-Jones anisotropic attraction, a model with modified Lennard-Jones attraction and a model with anisotropic square-well potential. For all considered models, the phase diagram shifts to the region of lower densities and lower temperatures as the porosity decreases.https://doi.org/10.5488/CMP.23.13601hard spherocylinder fluidsdisordered porous mediascaled particle theorygeneralized van der waals equationisotropic-nematic equilibrianematic-nematic transition
collection DOAJ
language English
format Article
sources DOAJ
author M.F. Holovko
V.I. Shmotolokha
spellingShingle M.F. Holovko
V.I. Shmotolokha
On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
Condensed Matter Physics
hard spherocylinder fluids
disordered porous media
scaled particle theory
generalized van der waals equation
isotropic-nematic equilibria
nematic-nematic transition
author_facet M.F. Holovko
V.I. Shmotolokha
author_sort M.F. Holovko
title On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
title_short On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
title_full On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
title_fullStr On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
title_full_unstemmed On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
title_sort on generalization of van der waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
publisher Institute for Condensed Matter Physics
series Condensed Matter Physics
issn 1607-324X
2224-9079
publishDate 2020-03-01
description A generalized Van der Waals approach is developed for anisotropic fluids in disordered porous media. As the reference system a hard spherocylinder fluid in a disordered porous medium is considered and described in the framework of the scaled particle theory with the Carnahan-Starling and Parsons-Lee corrections. The attractive part of interaction is treated in the framework of the mean field approximation in which due to orientational dependence of the excluded volume of two spherocylinders, a coupling between attractive and repulsive contributions is found. We focus on spherocylinder fluids with sufficiently long particle lengths for which the nematic-nematic transition was established. It is shown that these two nematic phases have different densities and are characterized by different orientational ordering. Strong influence of the type of interparticle attraction on the phase behaviour of anisotropic fluids in disordered porous media is established. Three simple models for this purpose are considered, namely a model with the Lennard-Jones anisotropic attraction, a model with modified Lennard-Jones attraction and a model with anisotropic square-well potential. For all considered models, the phase diagram shifts to the region of lower densities and lower temperatures as the porosity decreases.
topic hard spherocylinder fluids
disordered porous media
scaled particle theory
generalized van der waals equation
isotropic-nematic equilibria
nematic-nematic transition
url https://doi.org/10.5488/CMP.23.13601
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AT vishmotolokha ongeneralizationofvanderwaalsapproachforisotropicnematicfluidphaseequilibriaofanisotropicfluidsindisorderedporousmedium
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