Molecular dynamic calculation of gas macroparameters in the stream and on the boundary
Abstract:
This work is devoted to the molecular-dynamic calculations of the gaseous media properties used for modeling the low temperature flows of real gases in technical systems microchannels by continuum mechanics methods. Properties of gas, necessary for simulation, in a flow and on boundaries of channels are expressed in the form of kinetic coefficients and parameters of boundary conditions. Calculations of properties are made on the basis of Newtonian mechanics equations according to Verlet scheme. In the paper different techniques for determining the gas kinetic coefficients are described and compared. As an example the nitrogen flow near the nickel surface is considered. For this case the coefficients of self-diffusion, viscosity and thermal conductivity in a gas flow, and also the accommodation coefficients for gas in the wall layers are calculated. The obtained calculated data are in good agreement with the known theoretical estimates and experimental data.
