STRUCTURE OF A CONFINED FLUID OF HARD ELLIPSOIDS

Citation
P. Kalpaxis et G. Rickayzen, STRUCTURE OF A CONFINED FLUID OF HARD ELLIPSOIDS, Molecular physics, 80(2), 1993, pp. 391-406
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
80
Issue
2
Year of publication
1993
Pages
391 - 406
Database
ISI
SICI code
0026-8976(1993)80:2<391:SOACFO>2.0.ZU;2-J
Abstract
The density profiles of a fluid of hard ellipsoids confined to a slit are studied by means of a theoretical approach proposed by one of the authors [1]. A density functional is used in which the possible orient ations of the molecules are restricted and in which a geometric approx imation is made for the direct correlation function of the homogeneous fluid. Results are obtained for a range of densities and for both obl ate and prolate ellipsoids of revolution. Monte Carlo simulations of t he same system have also been performed and are found to agree well wi th the theory within the range of parameters studied.