Liquid-gas phase behavior of an argon-like fluid modelled by the hard-coretwo-Yukawa potential

Citation
D. Pini et al., Liquid-gas phase behavior of an argon-like fluid modelled by the hard-coretwo-Yukawa potential, J CHEM PHYS, 115(6), 2001, pp. 2702-2708
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
6
Year of publication
2001
Pages
2702 - 2708
Database
ISI
SICI code
0021-9606(20010808)115:6<2702:LPBOAA>2.0.ZU;2-Q
Abstract
We study a model for an argon-like fluid parameterized in terms of a hard-c ore repulsion and a two-Yukawa potential. The liquid-gas phase behavior of the model is obtained from the thermodynamically Self-Consistent Ornstein-Z ernike Approximation (SCOZA) of Hoye and Stell, the solution of which lends itself particularly well to a pair potential of this form. The predictions for the critical point and the coexistence curve are compared to new high resolution simulation data and to other liquid-state theories, including th e hierarchical reference theory (HRT) of Parola and Reatto. Both SCOZA and HRT deliver results that are considerably more accurate than standard integ ral-equation approaches. Among the versions of SCOZA considered, the one yi elding the best agreement with simulation successfully predicts the critica l point parameters to within 1%. (C) 2001 American Institute of Physics.