Mutual Diffusion in a Liquid Mixture of Argon and Krypton

Document Type

Article

Publication Date

12-15-1997

Department

Physics and Astronomy

School

Mathematics and Natural Sciences

Abstract

Molecular dynamics simulations are performed for an equimolar mixture of argon and krypton. The concentration-fluctuation autocorrelation functions Fm, the collective and individual velocity autocorrelation functions Zm and Zs, and the mean-square displacements are measured. The mutual diffusion coefficient determined from Fm is less than measured previously, but this is due to the approximation Q = 1 in the previous measurements for the thermodynamic factor Q which we find less than unity. We also note that Zs exhibits an interesting temperature-dependent late-time behavior which arises from the back scattering effect.

Publication Title

Physica A: Statistical Mechanics and its Applications

Volume

247

Issue

1-4

First Page

140

Last Page

152

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