화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.6, 2702-2708, 2001
Liquid-gas phase behavior of an argon-like fluid modelled by the hard-core two-Yukawa potential
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%.