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Thermodynamic and transport properties of fluids in permeable micropores

Authors
Journal
Fluid Phase Equilibria
0378-3812
Publisher
Elsevier
Publication Date
Volume
83
Identifiers
DOI: 10.1016/0378-3812(93)87010-x
Keywords
  • Computer Simulation
  • Molecular Dynamics
  • Diffusion
  • Permeation
  • Density Profile
  • Pore
  • Tethering
Disciplines
  • Mathematics

Abstract

Abstract Computer simulation studies have been carried out to examine the behavior of fluids in confined geometries, such as slit pores and tubular pores, using a new technique based on the microcanonical molecular dynamics method. The method allows the permeability of the pore wall to be precisely controlled, while maintaining the atomic nature of the wall. A wide range of static and dynamic properties have been investigated, including properties such as, density profiles, anisotropic diffusion coefficients, wall permeabilities, etc., that are normally used to characterize such systems.

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