Liquid crystal phase diagram of the Gay-Berne fluid by density functional theory
- 6 August 1997
- journal article
- research article
- Published by Taylor & Francis in Liquid Crystals
- Vol. 23 (2) , 227-234
- https://doi.org/10.1080/026782997208488
Abstract
We calculate the liquid crystal phase diagram for a model fluid with Gay-Berne interparticle potential using the Tarazona smoothed-density approximation of density functional theory. Vapour, liquid, nematic and smectic A phases are considered. For length to breadth ratio kappa 3 and energy anisotropy kappa 5, comparison with the simulation data of de Miguel et al. shows reasonable agreement.Keywords
This publication has 26 references indexed in Scilit:
- Effect of the attractive interactions on the phase behavior of the Gay–Berne liquid crystal modelThe Journal of Chemical Physics, 1996
- Studies of nematic-isotropic transition for a Gay-Berne fluid using the second virial approximationLiquid Crystals, 1996
- Computer-simulation studies of anisotropic systems. Part XXIV.—Constant-pressure investigations of the smectic B phase of the Gay–Berne mesogenJournal of the Chemical Society, Faraday Transactions, 1995
- Phase transitions in lyotropic colloidal and polymer liquid crystalsReports on Progress in Physics, 1992
- Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogenLiquid Crystals, 1990
- Density functional approximation for hard-body liquid crystalsThe Journal of Chemical Physics, 1989
- Density-Functional Theory for Nematic andOrdering of Hard SpherocylindersPhysical Review Letters, 1988
- Density-functional approach to smectic order in an aligned hard-rod fluidPhysical Review A, 1987
- Computer simulation of hard-core models for liquid crystalsMolecular Physics, 1987
- A new perturbation expansion for fluids of nonspherical moleculesThe Journal of Chemical Physics, 1975