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Molecular Dynamics of Flow in Micropores by I. Bitsanis; J. J. Magda; M. Tirrell; H. T. Davis is a Physics and Astronomy article available to read on EtoBox.

What is Molecular Dynamics of Flow in Micropores about?

The method of nonequilibrium molecular dynamics is used to study the viscosity and flow properties of strongly inhomogeneous liquids, a particular case of which is a liquid confined in ~ micr.opore only a few molecular diameters wide. Fluid inhomogeneity is introduced by lmposmg an external potential that in one case simulates flat solid walls and in the other case causes density peaks in•the middle of a thin liquid film. For comparison a homogeneous fluid is also simulated. In both types of inhomogeneous fluid, the shear stress and effective viscosity are smaller than in the homogeneous fluid. The density profiles and the diffusivities in the micropore were found to be independent of flow, even at the extremely high rates, 10 10 _10 11 S-I ofthe simulation. The Green-Kubo relation is found to be valid for the diffusivity under t~e fl~,,: st1.~died .. We propose a local average density model (LADM) of viscosity and dlffuslVlty, m whlch the local transport coefficients are those of homogeneous fluid at a mean dens~ty ?btained by avera~ng the local density over a molecular volume. LADM predicts qUalltatlvely correct veloclty profiles, effective viscosities, and shear stresses using o

Who reads Molecular Dynamics of Flow in Micropores?

Author

I. Bitsanis; J. J. Magda; M. Tirrell; H. T. Davis

Published

1987

Language

EN

Field

Physics and Astronomy (Physical Sciences)