A Molecular Dynamics Study on Gas Molecular Behavior Passing through a Rectangular Hole in Nanometer Scale

Abstract

The interaction between gaseous molecules and a rectangular hole with adherent molecules was calculated by the classical molecular dynamics method in order to invistigate fundamental behaviors of adhesion and passage in a nanometer scale filter with adherent molecules. The adherent molecules affected the passage of gaseous molecules. Gaseous molecules passed through the center of filter hole as the increase of volume ratio of adherent molecules in the rectangular hole. The flow regime in the hole was affected by a kind of gaseous molecules passing through the hole. When the interaction between the surface of the hole and gaseous molecules was small, the gaseous molecules moved far from the surface of the hole and most of them passed through the hole. On the other hand, when the interaction between them was large, the gaseous molecules moved near there and most of them were adherent there. Therefore, the flow velocity in case of large interaction was lower than that in case of small interaction under the same pressure difference.