Prediction of the temperature and density dependencies of the parameters of the average effective pair potential using only the LIR equation of state

Citation
G. Parsafar et al., Prediction of the temperature and density dependencies of the parameters of the average effective pair potential using only the LIR equation of state, J PHYS CH B, 103(34), 1999, pp. 7287-7292
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
34
Year of publication
1999
Pages
7287 - 7292
Database
ISI
SICI code
1520-6106(19990826)103:34<7287:POTTAD>2.0.ZU;2-M
Abstract
In this work we have studied the density and temperature dependencies of th e parameters of the average effective pair potential using linear isotherm regularity (LIR). Such a potential is considered to be the interaction of t wo nearest neighbor molecules in which all of their longer range interactio ns are added to it, and also the effect of the medium on the charge distrib utions of two neighboring molecules is included. We have found that the den sity dependencies of the parameters of the average effective pair potential are negligible for densities greater than the Boyle density for which the LIR is valid. The parameter sigma, the separation at which the potential is zero, increases with temperature while the depth of the potential well, is an element of, decreases. Furthermore, analytical expressions for is an el ement of and sigma are obtained in terms of the LIR parameters. Using these parameters for the average effective pair potential, a strong principle of corresponding states is proposed.