On the number dependence of hard-spheres diffusion of coefficients from molecular dynamics simulations

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

Physica A: Statistical Mechanics and its Applications, 1984, vol. 127, issue 1, 344-346

Abstract: Molecular dynamics calculations of the ratio DDE (where D is the self-diffusion coefficient and DE is the Enskog dense gas diffusion coefficient) for a dense hard-sphere fluid, done previously for systems of 128,250 and 432 particles, have been extended to systems of 1024, 2000 and 4394 particles for a density corresponding to VV0 = 2.0 (where V0 is the volume of close-packed hard spheres). The results confirm that DDE has only a very slight number dependence for systems of more than 250 particles.

Date: 1984
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:127:y:1984:i:1:p:344-346

DOI: 10.1016/0378-4371(84)90136-5

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