Transport properties of fluids in nanochannels: bridging nano to macro

Abstract

A method of calculating transport properties in nanochannels is presented in this work. The Molecular Dynamics simulation of a system of liquid argon flowing in a nanochannel formed by krypton walls was the basis for our analysis concerning transport properties and specifically diffusion coefficient, shear viscosity and thermal conductivity. It is shown that for confined systems, such as nanochannels, if one of the transport properties is known, then the others can be estimated. The simulation results reveal that all properties approach bulk values at relatively small channel widths, at about 6-7nm. Below this critical point, the wall effect on fluid atoms is strong and the transport properties change dramatically. In order to extend the calculations over rough-wall nanochannels, we apply the relation extracted for flat wall channels to channels with walls consisted of successive rectangular protrusions and cavities.