Open AccessDirect stochastic molecular modelling of transport processes in gases
Author(s) -
V. Ya. Rudyak,
E. V. Lezhnev
Publication year - 2021
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 - 10.1088/1742-6596/2056/1/012003
Subject(s) - specular reflection , thermal conductivity , viscosity , reflection (computer programming) , confined space , molecular dynamics , molecule , anisotropy , transport phenomena , thermal conduction , thermal , space (punctuation) , statistical physics , physics , chemistry , chemical physics , mechanics , thermodynamics , optics , computational chemistry , computer science , organic chemistry , quantum mechanics , programming language , operating system
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.