The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids
Abstract
The Soret coefficient of an equimolar binary mixture of Lennard-Jones atoms was calculated. The state of the system, the system size and the treatment of the cutoff of the Lennard-Jones potential were varied. In all cases, a negative Soret coefficient was found. It was observed that the Soret coefficient decreases when the ratio of the atomic diameter increases.