A simplified analytical expression for the first shell of the hard-sphere fluid radial distribution function

Citation
J. Largo et Jr. Solana, A simplified analytical expression for the first shell of the hard-sphere fluid radial distribution function, FLU PH EQUI, 167(1), 2000, pp. 21-31
Citations number
15
Categorie Soggetti
Physical Chemistry/Chemical Physics","Chemical Engineering
Journal title
FLUID PHASE EQUILIBRIA
ISSN journal
03783812 → ACNP
Volume
167
Issue
1
Year of publication
2000
Pages
21 - 31
Database
ISI
SICI code
0378-3812(20000104)167:1<21:ASAEFT>2.0.ZU;2-R
Abstract
An analytical expression for the first coordination cell of the radial dist ribution function (RDF) of the hard-sphere fluid is derived. It is based on a series expansion of the analytical expression of the Percus-Yevick solut ion of the RDF of the hard-sphere fluid derived by Chang and Sandler [J. Ch ang, S.I. Sandler, Mel. Phys. 81 (1994) 745.]. The expansion is carried out both in terms of the packing fraction and in terms of the radial distance. Expressions are also obtained for the coordination number and its first an d second derivatives as functions of radial distance and packing fraction. These expressions, which are useful in perturbation theory, are simpler to use than those obtained from the starting equation, while giving nearly the same results. They also provide close agreement with simulation data. (C) 2000 Elsevier Science B.V. All rights reserved.