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Viscosity of Lennard-Jones mixtures: A systematic study and empirical law

Abstract : A systematic study of the viscosity of the binary Lennard-Jones (LJ) mixtures is carried out by equilibrium molecular dynamics simulations via the Green-Kubo relation. The effects of mass, size, and energy-parameter asymmetries on the viscosity and the self-diffusion coefficients are examined separately, both in equimolar mixtures and by varying the molar fractions. The systems are mapped into an effective one-component model according to the van der Waals one-fluid (vdW1) model. Furthermore, using an empirical law for pure LJ liquids, similar to the one proposed recently for liquid sodium, it is shown that the viscosity of the mixtures studied here are well-predicted by the combination of vdW1 fluid and empirical law. The Stokes-Einstein relation in the mixtures has also been investigated. A possible simple extension of this relation, from pure liquids to mixtures, has been proposed and tested.
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https://hal.univ-lorraine.fr/hal-02921756
Contributor : Jean-François Wax Connect in order to contact the contributor
Submitted on : Tuesday, August 25, 2020 - 2:47:41 PM
Last modification on : Monday, September 6, 2021 - 5:38:55 PM

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Nadège Meyer, Jean-François Wax, Hong Xu. Viscosity of Lennard-Jones mixtures: A systematic study and empirical law. Journal of Chemical Physics, American Institute of Physics, 2018, 148 (23), pp.234506. ⟨10.1063/1.5034779⟩. ⟨hal-02921756⟩

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