Theory of cross-diffusivity in a binary fluid mixture

摘要: A microscopic approach for the cross-diffusivity in a binary fluid mixture has been developed using theoretical frameworks of density functional theory (DFT) as well mode coupling (MCT). In MCT, we have identified particular selection which leads to an expression identical that obtained from DFT. An alternative choice based on analogous physical considerations though different expression, numerical evaluation shows calculated results are close predictions Both theories applied Lennard-Jones and cross-diffusivities found be good agreement with available computer simulation results.