2002/03/29 by M. Robles, M Robles, M. López de Haro · 2 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #cond-mat.stat-mech
paper · pdf · doi:10.1209/epl/i2003-00362-7
4 pages, 2 figures
arxiv created 2002/03/29 · openalex publication_date 2003/04/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/30
A thermodynamic approach to derive the liquid-glass transition line in the reduced temperature vs. reduced density plane for a monatomic Lennard-Jones fluid is presented. The approach makes use of a recent reformulation of the classical perturbation theory of liquids (Robles M. and López de Haro M., Phys. Chem. Chem. Phys. 3 (2001) 5528) which is at grips with a rational function approximation for the Laplace transform of the radial distribution function of the hard-sphere fluid. The only input required is an equation of state for the hard-sphere system. Within the Mansoori-Canfield/Rasaiah-Stell variational perturbation theory, two choices for such an equation of state, leading to a glass transition for the hard-sphere fluid, are considered. Good agreement with the liquid-glass transition line derived from recent molecular-dynamic simulations (Di Leonardo R. et al. , Phys. Rev. Lett. 84 (2000) 6054) is obtained.