INTEGRAL-EQUATION APPROXIMATIONS FOR INHOMOGENEOUS FLUIDS - FUNCTIONAL OPTIMIZATION

Authors
BUSH MR BOOTH MJ HAYMET ADJ SCHLIJPER AG
Citation
Mr. Bush et al., INTEGRAL-EQUATION APPROXIMATIONS FOR INHOMOGENEOUS FLUIDS - FUNCTIONAL OPTIMIZATION, Molecular physics (Print), 95(3), 1998, pp. 601-619
Citations number
42
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics (Print) → ACNP
ISSN journal
00268976
Volume
95
Issue
3
Year of publication
1998
Pages
601 - 619
Database
ISI
SICI code
0026-8976(1998)95:3<601:IAFIF->2.0.ZU;2-C
Abstract
Following a systematic approximation to the Kirkwood-Green entropy exp ansion, within the grand canonical ensemble, functional optimization o f the grand potential is used to derive closed sets of integral equati ons which approximate the structure and thermodynamics of both homogen eous and inhomogeneous fluids. Connections are made with existing appr oximations in the literature, and compact derivations are presented. S elected new equation sets are presented. The central role of the 'ring ' term in the entropy expansion is emphasized.