Molecular dynamics of a hard sphere fluid in small pores

Abstract

A molecular dynamics study is carried out on a hard sphere fluid in pores of molecular dimensions. The confinement of the pore walls results in density inhomogeneities which yield pressure anisotropy and an increased particle collision frequency over that observed in the bulk phase at the same overall density. Diffusivity along the pore axis is less than that of the bulk fluid and decreases by about a factor of two in going from specular to diffuse pore wall reflection. Diffusive motion in the pore cross-section is discussed.