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Wall slip in the molecular dynamics simulation of thin films of hexadecane

J. Chem. Phys. 110, 2612 (1999); doi:10.1063/1.477982

Issue Date: 1 February 1999

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A. Jabbarzadeh, J. D. Atkinson, and R. I. Tanner
Department of Mechanical & Mechatronic Engineering, The University of Sydney, New South Wales 2006, Australia
A molecular dynamics simulation of a thin liquid film as it is sheared between two planar walls is reported. The model liquid is composed of linear chain molecules of hexadecane (C16H34) with intramolecular architecture such as bond stretching, angle bending and dihedral potentials included in the model. Designing a model that can mimic the planar shear flow enables us to study important questions on the effects of the wall properties on the slip between the liquid film and the wall. Different properties of the wall such as wall density, wall stiffness and wall–fluid interaction strength have been studied to determine the slip between the wall and fluid. The slip has been investigated for strong and weak adsorbing surfaces at various shear rates. The results emphasize the importance of adsorption on the degree of slip. The dependence of slip on the film thickness is also demonstrated. ©1999 American Institute of Physics.
History: Received 24 February 1998; accepted 28 October 1998
Permalink: http://link.aip.org/link/?JCPSA6/110/2612/1
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KEYWORDS and PACS

Keywords
PACS
  • 47.45.Gx
    Fluid dynamics Rarefied gas dynamics Slip flows
  • 47.27.Lx
    Fluid dynamics Turbulent flows, convection, and heat transfer Wall-bounded thin shear flows
  • 68.15.+e
    Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) Liquid thin films
  • 47.60.+i
    Fluid dynamics Flows in ducts, channels, nozzles, and conduits
  • 02.70.Ns
    Mathematical methods in physics Computational techniques Molecular dynamics and particle methods
  • 47.15.Cb
    Fluid dynamics Laminar flows Laminar boundary layers
  • 47.27.Nz
    Fluid dynamics Turbulent flows, convection, and heat transfer Boundary layer and shear turbulence
  • YEAR: 1999

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
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REFERENCES (29)
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