The Stokes-Einstein relation for Lennard-Jones fluids

The Stokes-Einstein (SE) relation suitable for Lennard-Jones liquids was formulated by using molecular dynamics calculations and the Green-Kubo formulas.  The result clearly shows that it is important to consider the... [ view full abstract ]

The Stokes-Einstein (SE) relation suitable for Lennard-Jones liquids was formulated by using molecular dynamics calculations and the Green-Kubo formulas.  The result clearly shows that it is important to consider the presence of voids in the medium surrounding diffusing molecules in order to formulate the SE relation on a molecular scale. Furthermore, the breakdown of the SE relation was investigated for a wide range of density from gas to liquid states via sub- and supercritical states. It was concluded that the breakdown is traceable to the gaseous behavior of shear viscosity.