Concentration and mass dependence of transport coefficients and correlation functions in binary mixtures with high mass-asymmetry

Abstract

Correlation functions and transport coefficients of self-diffusion and shear viscosity of a binary Lennard-Jones mixture with components differing only in their particle mass are studied up to high values of the mass ratio $\mu$, including the limiting case $\mu =\infty$, for different mole fractions $x$. Within a large range of $x$ and $\mu$ the product of the diffusion coefficient of the heavy species $D_2$ and the total shear viscosity of the mixture ${\eta }_m$ is found to remain constant, obeying a generalized Stokes-Einstein relation. At high liquid density, large mass ratios lead to a pronounced cage effect that is observable in the mean square displacement, the velocity autocorrelation function and the van Hove correlation function.

References in corpus (2)

• Slow dynamics of a confined supercooled binary mixture: direct space analysis
• Determination of the friction coefficient of a Brownian particle by molecular-dynamics simulation

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• Statistical mechanics of homogeneous partly pinned fluid systems
• Simple physics of the partly pinned fluid systems
• Scaling behavior of the self diffusion coefficients: dependence on the mass ratio of a binary mixture