Abstract
Molecular size and shape effects are evaluated on the Stokes–Einstein (SE) relation from the viewpoint of molecular differences between the solute and solvent. To this end, dilute solutions of both an n-alkane in Ar and Ar in an n-alkane were simulated using the molecular dynamics method. The molecular-based SE relation derived for the Lennard-Jones liquid mixtures was found to be applicable to both systems, which shows that the effects of the differences in the size and interaction energy are predominant but that those in the shape are negligible in these systems.
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