Nature of the entropy versus self-diffusivity plot for simple liquids

Abstract

The empirical relation (D(*))(alpha) = a exp[S] between the self-diffusion coefficient D(*) and the excess entropy S of a liquid is studied here in the context of theoretical model calculation. The coefficient alpha is dependent on the interaction potential and shows a crossover at an intermediate density, where cooperative dynamics become more important. Around this density a departure from the Stokes-Einstein relation is also observed. The above relation between entropy and diffusion is also tested for the scaled total diffusion coefficient in a binary mixture.

Transport coefficients in silicate melts from structural data via a structure-thermodynamics-dynamics relationship

“…The upper bound on SiO 2 content and melt conditions (T and P ) at which diffusivities will align with the fit in Fig. 3(a work on supercooled liquids suggests that an equation of the form given by (1) might still be valid in this regime, although with different scaling variables [59][60][61][62].…”

On the ratio of the shear viscosity to the density of entropy of the rare gases and H2,N2,

“…Refs. [39][40][41][42]. If there is such a universal relation it might open up new routes for the interrelation of thermophysical properties.…”

Erratum: “Relationship between thermodynamics and dynamics of supercooled liquids” [J. Chem. Phys. 125, 076102 (2006)]

“…Similar results for other models have been reported and discussed extensively. [6][7][8][9][10] Further study of the core-softened fluid of…”