Molecular dynamics simulation of thermal diffusion processes in non-isothermal flow of the medium

The article presents a brief information on the discovery and experimental study of a new thermoelectrokinetic effect consisting in the formation of thermoelectrokinetic EMF in viscous conductive media in the presence of mass transfer (particles) and the action of a temperature gradient. On the basis of the molecular dynamics method, a mathematical model is developed and a numerical simulation of the non-isothermal flow of the Lennard-Jones fluid under the conditions of thermoelectrokinetic effect formation is carried out. As a result of the simulation the microscopic regularities of its formation are established.