Mutual diffusion in a binary Ar-Kr mixture confined within zeolite NaY.

Abstract

Molecular dynamics investigations of the mutual diffusion coefficients in an Ar-Kr mixture confined in the zeolite NaY are reported. Velocity auto- and cross correlations were computed at two different temperatures (200 and 600 K). The importance of the appropriate choice of reference frame while evaluating the time correlation functions is illustrated for… (More)

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