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research article

Dynamics of fluid mixtures in nanospaces

Marconi, Umberto Marini Bettolo
•
Melchionna, Simone  
2011
The Journal of Chemical Physics

A multicomponent extension of our recent theory of simple fluids [U. M. B. Marconi and S. Melchionna, J. Chem. Phys. 131, 014105 (2009)] is proposed to describe miscible and immiscible liquid mixtures under inhomogeneous, nonsteady conditions typical of confined fluid flows. We first derive from a microscopic level the evolution equations of the phase space distribution function of each component in terms of a set of self-consistent fields, representing both body forces and viscous forces (forces dependent on the density distributions in the fluid and on the velocity distributions). Second, we numerically solve the resulting governing equations by means of the lattice Boltzmann method, whose implementation contains novel features with respect to existing approaches. Our model incorporates hydrodynamic flow, diffusion, surface tension, and the possibility for global and local viscosity variations. We validate our model by studying the bulk viscosity dependence of the mixture on concentration, packing fraction, and size ratio. Finally, we consider inhomogeneous systems and study the dynamics of mixtures in slits of molecular thickness and relate structural and flow properties. (C) 2011 American Institute of Physics. [doi:10.1063/1.3528221]

  • Details
  • Metrics
Type
research article
DOI
10.1063/1.3528221
Web of Science ID

WOS:000287327400019

Author(s)
Marconi, Umberto Marini Bettolo
Melchionna, Simone  
Date Issued

2011

Published in
The Journal of Chemical Physics
Volume

134

Issue

6

Article Number

064118

Subjects

Density-Functional Theory

•

Lattice Boltzmann-Equation

•

Kinetic-Theory

•

Hard-Spheres

•

Gas-Mixtures

•

Inhomogeneous Fluids

•

Molecular-Dynamics

•

Phase-Equilibria

•

Classical Fluids

•

Transport-Theory

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LMMM  
Available on Infoscience
December 16, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/74446
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