Self-diffusion in a dense hard-sphere fluid: A molecular dynamics simulation

A.J. Easteal, L.A. Woolf and D.L. Jolly

Physica A: Statistical Mechanics and its Applications, 1983, vol. 121, issue 1, 286-292

Abstract: Molecular dynamics calculations of the ratio D/DE (where D is the self-diffusion coefficient and DE is the Enskog dense fluid diffusion coefficient) for a dense hard-sphere fluid, have been done for the density range corresponding to 1.5 ⩽ V/V0 ⩽ 4.0 (where V0 is the volume of close-packed hard spheres), for systems of 128, 250 and 432 particles. Values of D/DE at a given density do not differ significantly for 250 and 432 particles, and the values are significantly smaller than those obtained for the same densities by Alder, Gass and Wainwright via application of a hydrodynamic correction to give values for an infinite number of particles.

Date: 1983
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:121:y:1983:i:1:p:286-292

DOI: 10.1016/0378-4371(83)90256-X

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