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Nonequilibrium molecular dynamics simulations of nanoconfined fluids at solidliquid interfaces

Research output: Contribution to journalArticlepeer-review

  • M. Morciano
  • M. Fasano
  • A. Nold
  • C. Braga
  • P. Yatsyshin
  • D. N. Sibley
  • Benjamin Goddard
  • E. Chiavazzo
  • P. Asinari
  • S. Kalliadasis

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Original languageEnglish
Article number244507
Number of pages12
JournalThe Journal of Chemical Physics
Issue number24
Publication statusPublished - 28 Jun 2017


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.

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