Consistency conditions and equation of state for additive hard-sphere fluid mixtures

Citation
C. Barrio et Jr. Solana, Consistency conditions and equation of state for additive hard-sphere fluid mixtures, J CHEM PHYS, 113(22), 2000, pp. 10180-10185
Citations number
32
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
22
Year of publication
2000
Pages
10180 - 10185
Database
ISI
SICI code
0021-9606(200012)113:22<10180:CCAEOS>2.0.ZU;2-E
Abstract
A number of consistency conditions for the contact values g(ij)(sigma (ij)) of the pair correlation function of species i and j in an additive hard-sp here fluid mixture are discussed. It is shown that most of the theoreticall y-based expressions, as well as other more empirical in character, existing for these functions, fail to satisfy at least one of the conditions. It is suggested that one could improve the performance of the expressions for g( ij)(sigma (ij)) and the equation of state by using the consistency conditio ns. This is illustrated by modifying the Boublik-Mansoori-Carnahan-Starling -Leland expressions for g(ij)(sigma (ij)), which results in better predicti ons for these functions as well as for the compressibility factor and the f ourth and fifth virial coefficients. (C) 2000 American Institute of Physics . [S0021-9606(00)51446-9].