Molecular dynamics of fluid in micropores

The authors report progress made in using molecular theory and computer simulation to understand the structure, flow and transport of fluids confined by planar solid walls separated by a few molecular diameters. The reservoir method developed by W.T. Ashurst and W.G. Hoover is the method of choice for the simulation of flow in strongly inhomogeneous fluids. In addition to studying the effect of density inhomogeneity on flow, the authors also examine the effect of flow on the fluid density profile and diffusivity. This is done in order to make sure that the nonequilibrium situation we study is not too far from equilibrium, i.e. it is within the limits of applicability of linear response theory.