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

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 = infinity, for different mole fractions x...

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Bibliographic Details
Published in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2009-08, Vol.80 (2 Pt 1), p.021202-021202, Article 021202
Main Authors: Fenz, W, Mryglod, I M, Prytula, O, Folk, R
Format: Article
Language:English
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Summary: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 = infinity, 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.
ISSN:1539-3755
1550-2376
DOI:10.1103/PhysRevE.80.021202