Determination of accommodation coefficients of a gas mixture in a nanochannel with molecular dynamics

Abstract

A molecular-dynamics (MD) study of non-reacting and disparate mass binary gas mixture is conducted. The interaction properties of a typical mixture of gases on the walls of a nanochannel, at moderately rarefied conditions, are investigated with MD. The study discusses the method of calculation of the energy and the momentum accommodation coefficients for a binary gas mixture confined in a nanochannel. The thermal distributions are obtained from the imposed thermal wall conditions using MD. While keeping the bulk number density a constant, the interaction properties of gas mixtures at different molar concentration of individual components are determined. The accommodation properties are found to increase with an increase in concentration of heavier gas component in the gas mixture.