2001/03/13 by Davide Pini, D. Pini, G. Stell +2
Engineering · Physics and Astronomy · #Phase Equilibria and Thermodynamics #Spectroscopy and Quantum Chemical Studies #Theoretical and Computational Physics #cond-mat.stat-mech
paper · pdf · doi:10.1063/1.1383796
published as J. Chem. Phys. 115, 2702 (2001) · 10 pages 6 figures
arxiv created 2001/03/13 · openalex publication_date 2001/08/08 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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 Høye 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%.