FLUIDS OF PSEUDO-HARD BODIES - II - REFERENCE MODELS FOR WATER, METHANOL, AND AMMONIA

Citation
M. Predota et al., FLUIDS OF PSEUDO-HARD BODIES - II - REFERENCE MODELS FOR WATER, METHANOL, AND AMMONIA, Molecular physics, 94(6), 1998, pp. 937-948
Citations number
34
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
94
Issue
6
Year of publication
1998
Pages
937 - 948
Database
ISI
SICI code
0026-8976(1998)94:6<937:FOPB-I>2.0.ZU;2-Y
Abstract
Pseudo-hard body fluids resulting from extended primitive models of wa ter, methanol, and ammonia have been investigated both by computer sim ulations and theory for a number of geometrical parameters. It is show n that none of the existing equations of state and integral equations for the site-site correlation functions is able to describe the proper ties of the pseudo-hard body fluids reasonably accurately. For the equ ation of state an accurate semi-empirical method is proposed and for t he site-site correlation functions the reference average Mayer functio n perturbation theory has been found to perform at least qualitatively correctly, which is not the case with Ornstein-Zernike equation based theories.