J. Trullas et Ja. Padro, DIFFUSION IN MULTICOMPONENT LIQUIDS - A NEW SET OF COLLECTIVE VELOCITY CORRELATION-FUNCTIONS AND DIFFUSION-COEFFICIENTS, The Journal of chemical physics, 99(5), 1993, pp. 3983-3989
A new set of time correlation functions for the description of the mic
roscopic collective dynamic behavior in multicomponent liquids is intr
oduced. These functions, the relative mean molecular velocity correlat
ions, are independent of the considered reference frame and the relate
d diffusion coefficients may be defined. The advantages of this kind o
f description are discussed and relations between the proposed diffusi
on coefficients and both phenomenological and empirical transport coef
ficients are derived. Special attention is devoted to the binary liqui
ds.