Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solid-liquid interfaces.
File(s)JCP_A17.02.0124_Revised_Manuscript.pdf (925.09 KB)
Accepted version
Author(s)
Type
Journal Article
Abstract
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.
Date Issued
2017-06-30
Date Acceptance
2017-06-07
ISSN
0021-9606
Publisher
AIP Publishing
Journal / Book Title
Journal of Chemical Physics
Volume
146
Issue
24
Copyright Statement
© 2017 The Authors. Published by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in the Journal of Chemical Physics and may be found at http://aip.scitation.org/doi/10.1063/1.4986904
Sponsor
Commission of the European Communities
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (E
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/28668055
Grant Number
247031
EP/L025159/1
EP/L020564/1
EP/R511547/1
Subjects
02 Physical Sciences
03 Chemical Sciences
09 Engineering
Chemical Physics
Publication Status
Published
Coverage Spatial
United States
Article Number
244507