Singlet integral equation approaches in the statistical theory of surface phenomena in liquids.

Citation
Da. Tikhonov et al., Singlet integral equation approaches in the statistical theory of surface phenomena in liquids., J MOL LIQ, 82(1-2), 1999, pp. 3-17
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR LIQUIDS
ISSN journal
01677322 → ACNP
Volume
82
Issue
1-2
Year of publication
1999
Pages
3 - 17
Database
ISI
SICI code
0167-7322(199909)82:1-2<3:SIEAIT>2.0.ZU;2-M
Abstract
Various integral equation approaches treating surface phenomena in liquids are compared. It is shown that various integral equations for the density p rofile are all of the same type (so-called singlet one)., provided that the two particle distribution function is assumed to depend only upon the inte rparticle separation. A new singlet equation approach based on the integral form of the exact equ ations is proposed. Numerical calculations for a hard sphere fluid in conta ct with a rigid wall demonstrate that at high densities the proposed approa ch gives reliable results. (C) 1999 Elsevier Science B.V. All rights reserv ed.