Molecular dynamics and theory for the contact values of the radial distribution functions of hard-disk fluid mixtures

2004/07/01 by Stefan Luding, Andrés Santos, Andres Santos · 3 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #cond-mat.soft #cond-mat.stat-mech #physics.chem-ph

paper · pdf · doi:10.1063/1.1797213

published as J. Chem. Phys. 121, 8458-8465 (2004) · 9 pages, 6 figures

arxiv created 2004/07/01 · openalex publication_date 2004/10/26 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

We report molecular dynamics results for the contact values of the radial distribution functions of binary additive mixtures of hard disks. The simulation data are compared with theoretical predictions from expressions proposed by Jenkins and Mancini [J. Appl. Mech. 54, 27 (1987)] and Santos et al. [J. Chem. Phys. 117, 5785 (2002)]. Both theories agree quantitatively within a very small margin, which renders the former still a very useful and simple tool to work with. The latter (higher-order and self-consistent) theory provides a small qualitative correction for low densities and is superior especially in the high-density domain.

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