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 (5)

• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Scaling behavior in the $\beta$-relaxation regime of a supercooled Lennard-Jones mixture
• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture II: Intermediate Scattering Function and Dynamic Susceptibility
• Slow dynamics of a confined supercooled binary mixture: direct space analysis
• Determination of the friction coefficient of a Brownian particle by molecular-dynamics simulation

Cited by in corpus (7)

• Nature of Intrinsic Uncertainties in Equilibrium Molecular Dynamics Estimation of Shear Viscosity for Simple and Complex Fluids
• Mode-coupling theory predictions for the dynamical transitions of the partly pinned fluid systems
• Impact of random obstacles on the dynamics of a dense colloidal fluid
• Dynamic arrest of colloids in porous environments: disentangling crowding and confinement
• 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