Molecular Dynamics Simulation of Flows in Nanochannels

This paper presents new methods and results of simulating real pressure-gradient microflows in plane channels. Dependence of the flow characteristics on the transverse and longitudinal coordinates are investigated. It is shown that, in a nanochannel, a linear pressure gradient and a parabolic velocity profile are formed. However, unlike in ordinary flows, a slip effect is observed on the channel walls. Fluid structuring is studied. The effects of the fluid density, accommodation coefficients, and channel dimensions on the flow properties are investigated. The molecular diffusion in the channel is shown to be anisotropic.