Direct stochastic molecular modelling of transport processes in gases

V. Ya Rudyak, E. V. Lezhnev

Результат исследования: Научные публикации в периодических изданияхстатья по материалам конференциирецензирование


The stochastic molecular modeling method (SMM) of transport processes in rarefied gases developed by the authors is systematically discussed in this paper. It is shown that, it is possible to simulate the transport coefficients of rarefied gas with high accuracy, using a relatively small number of molecules. The data of modeling the thermal conductivity coefficient are presented for the first time. The second part of the paper is devoted to the generalization of the SMM method for modeling transport processes in confined conditions. To describe the dynamics of molecules in this case, the splitting of their evolution by processes is used: first, the movement of molecules in the configuration space is simulated, and then their dynamics in the velocity space is imitated. Anisotropy of viscosity and thermal conductivity in nanochannels has been established. The interaction of gas molecules with walls is described by specular or specular-diffuse reflection laws. Gas viscosity can be either greater than in the bulk or less, depending on the law of gas interaction with the channel walls.

Язык оригиналаанглийский
Номер статьи012003
ЖурналJournal of Physics: Conference Series
Номер выпуска1
СостояниеОпубликовано - 8 ноя 2021
Событие2021 International Conference on Advanced Element Base of Micro- and Nano-Electronics with Using of To-Date Achievements of Theoretical Physics, MRSU 2021 - Moscow, Российская Федерация
Продолжительность: 20 апр 202123 апр 2021

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