Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2009-06-15
Physics
Condensed Matter
Soft Condensed Matter
Scientific paper
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.
Fenz W.
Folk Reinhard
Mryglod I. M.
Prytula O. O.
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