HMSA INTEGRAL-EQUATION THEORY FOR THE SQUARE-WELL FLUID

Authors
BERGENHOLTZ J WU P WAGNER NJ DAGUANNO B
Citation
J. Bergenholtz et al., HMSA INTEGRAL-EQUATION THEORY FOR THE SQUARE-WELL FLUID, Molecular physics, 87(2), 1996, pp. 331-346
Citations number
48
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
87
Issue
2
Year of publication
1996
Pages
331 - 346
Database
ISI
SICI code
0026-8976(1996)87:2<331:HITFTS>2.0.ZU;2-X
Abstract
The self-consistent HMSA integral equation is derived for the square-w ell fluid and tested against Monte Carlo simulations. The phase diagra m and mechanical properties are well reproduced, as well as radial dis tribution functions and structure factors. For narrow wells, the exten t of vapour-liquid equilibria is reduced substantially, in qualitative agreement with results for the attractive Yukawa system. A recent sti cky hard sphere mapping is tested to determine its validity.