Orientation of a molecular fluid next to a hard wall: The Percus–Yevick theory
- 15 January 1993
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 98 (2) , 1486-1492
- https://doi.org/10.1063/1.464312
Abstract
The Percus-Yevick (PY) equation for inhomogeneous hard linear molecules is presented and solved. Calculations of the density profile are shown. Despite earlier failures of the PY approximation to predict some kinds of angular properties in homogeneous systems, here we find predictions which are qualitatively correct and quantitatively acceptable. In particular, we find that the molecules near the wall lie parallel to the wall.Keywords
This publication has 29 references indexed in Scilit:
- Hard dumbbells in contact with a hard wall: An application of the density functional theoryThe Journal of Chemical Physics, 1991
- Solution of the Percus-Yevick Equation for Linear Molecules Interacting through Either a Kihara or a Soft Repulsive PotentialPhysics and Chemistry of Liquids, 1991
- Structure of hard-particle fluids near a hard wall. IV. y w(z,θ) for homonuclear hard diatomicsThe Journal of Chemical Physics, 1991
- Conformations of n-alkanes in urea inclusion adductsThe Journal of Physical Chemistry, 1990
- Multipole Moments in General Relativity —Static and Stationary Vacuum Solutions—Fortschritte der Physik, 1990
- Some simple calculations of the density profile of inhomogeneous hard spheres using the Lovett-Mou-Buff-Wertheim equation with the bulk direct correlation functionThe Journal of Physical Chemistry, 1989
- Structure of hard body fluids. A critical compilation of selected computer simulation dataCollection of Czechoslovak Chemical Communications, 1989
- Pair and singlet correlation functions of inhomogeneous fluids calculated using the Ornstein-Zernike equationThe Journal of Physical Chemistry, 1988
- Dumbell—A program to calculate the structure and thermodynamics of a classical fluid of hard, homonuclear diatomic moleculesComputer Physics Communications, 1986
- Analysis of Classical Statistical Mechanics by Means of Collective CoordinatesPhysical Review B, 1958