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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Multiphase lattice Boltzmann method for particle suspensions.

Abhijit S Joshi1, Ying Sun

  • 1State University of New York, Binghamton, NY 13902, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|August 8, 2009
PubMed
Summary
This summary is machine-generated.

A new lattice Boltzmann method (LBM) models multiphase flows with suspended particles, incorporating surface forces. This simulation tool reveals particle dynamics near liquid-vapor interfaces and droplet interactions.

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Area of Science:

  • Computational fluid dynamics
  • Multiphase flow modeling
  • Particle suspension dynamics

Background:

  • Lattice Boltzmann methods (LBM) are effective for simulating fluid dynamics.
  • Modeling multiphase flows with suspended particles presents challenges, particularly incorporating interphase forces.
  • Previous models often simplified particle-fluid interactions.

Purpose of the Study:

  • To develop a two-dimensional mass-conserving LBM for multiphase flows with suspended particles.
  • To incorporate surface adhesive forces between particles and surrounding fluid phases.
  • To simulate and analyze particle behavior at liquid-vapor interfaces and in droplet interactions.

Main Methods:

  • Developed a two-dimensional mass-conserving lattice Boltzmann method (LBM).
  • Integrated the Shan and Chen single-component multiphase model for fluid-fluid interactions.
  • Incorporated surface adhesive forces for particle-fluid interactions.
  • Validated the model through simulations of single-particle dynamics and interactions with liquid drops.

Main Results:

  • Simulated dynamics of a single particle on a planar liquid-vapor interface.
  • Observed particle dynamics near free-standing liquid droplets are influenced by spurious velocity currents.
  • Analyzed capillary interactions between two particles on a liquid-vapor interface.
  • Investigated spinodal decomposition in a liquid-vapor mixture with suspended particles.

Conclusions:

  • The developed LBM accurately simulates multiphase flows with suspended particles.
  • Surface forces significantly influence particle behavior at liquid-vapor interfaces.
  • Spurious velocity currents can affect particle dynamics near droplets, despite interface energy minima.
  • The model shows qualitative agreement with existing multicomponent LBM results for binary mixtures.