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

Stefan Luding*, Andrés Santos

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

21 Citations (Scopus)
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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.

Original languageEnglish
Pages (from-to)8458-8465
Number of pages8
JournalJournal of chemical physics
Volume121
Issue number17
Early online date26 Oct 2004
DOIs
Publication statusPublished - 1 Nov 2004
Externally publishedYes

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