Abstract

A hybrid model has been developed for calculating the flow of C2H2 gas in a cylindrical channel taking into account the mechanisms of heat exchange of gases with the surface and adsorption of molecules on the channel surface (molecular dynamics method and Monte Carlo method). A set of programs has been developed and calculations have been made of the deposition and / or scattering of acetylene molecules on the surface of a silicon substrate within the framework of the molecular dynamics method, taking into account the most accurate model of the atom-atom interaction of molecules with each other and with the substrate atoms. Combinations of the angle of incidence of acetylene on the substrate and the velocity of the center of mass of the molecule at which adsorption occurs are revealed.

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