We study a model for an argon-like fluid parameterized in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behavior of the model is obtained from the thermodynamically Self-Consistent Ornstein-Zernike 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 the hierarchical reference theory (HRT) of Parola and Reatto. Both SCOZA and HRT deliver results that are considerably more accurate than standard integral-equation approaches. Among the versions of SCOZA considered, the one yielding the best agreement with simulation successfully predicts the critical point parameters to within 1%.

Liquid-gas phase behavior of an argon-like fluid modelled by the hard-core two-Yukawa potential / D.E. Pini, G. Stell, N.B. Wilding. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 115:6(2001 Aug), pp. 2702-2708.

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

D.E. Pini;
2001-08

Abstract

We study a model for an argon-like fluid parameterized in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behavior of the model is obtained from the thermodynamically Self-Consistent Ornstein-Zernike 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 the hierarchical reference theory (HRT) of Parola and Reatto. Both SCOZA and HRT deliver results that are considerably more accurate than standard integral-equation approaches. Among the versions of SCOZA considered, the one yielding the best agreement with simulation successfully predicts the critical point parameters to within 1%.
2-Yukawa fluid ; Lennard-Jones fluid ; self-consistent Ornstein-Zernike approximation ; Monte Carlo ; critical point ; liquid-vapor transition
Settore FIS/03 - Fisica della Materia
THE JOURNAL OF CHEMICAL PHYSICS
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/179101
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