Open AccessMolecular dynamics simulation of thermal diffusion processes in non-isothermal flow of the medium
Author(s) -
А. В. Сидоров,
В. М. Грабов,
А. А. Зайцев,
Д. В. Кузнецов
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1348/1/012027
Subject(s) - isothermal process , mass transfer , diffusion , flow (mathematics) , molecular dynamics , computer simulation , materials science , mechanics , thermodynamics , thermal , viscous flow , heat transfer , chemistry , physics , computational chemistry
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.