Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces

M Morciano and M Fasano and A Nold and C Braga and P Yatsyshin and DN Sibley and BD Goddard and E Chiavazzo and P Asinari and S Kalliadasis, JOURNAL OF CHEMICAL PHYSICS, 146, 244507 (2017).

DOI: 10.1063/1.4986904

We investigate the hydrodynamic properties of a Lennard-Jones fluid confined to a nanochannel using molecular dynamics simulations. For channels of different widths and hydrophilic-hydrophobic surface wetting properties, profiles of the fluid density, stress, and viscosity across the channel are obtained and analysed. In particular, we propose a linear relationship between the density and viscosity in confined and strongly inhomogeneous nanofluidic flows. The range of validity of this relationship is explored in the context of coarse grained models such as dynamic density functional-theory. Published by AIP Publishing.

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