Mesoscopic simulations of the counterion-induced electro-osmotic flow: a comparative study

J Chem Phys. 2009 Jun 28;130(24):244702. doi: 10.1063/1.3152844.

Abstract

We present mesoscopic simulations of the counterion-induced electro-osmotic flow in different electrostatic coupling regimes. Two simulation methods are compared, dissipative particle dynamics (DPD) and coupled lattice-Boltzmann/molecular dynamics (LB/MD). A general mapping scheme to match DPD to LB/MD is developed. For the weak coupling regime, analytic expressions for the flow profiles in the presence of partial-slip as well as no-slip boundary conditions are derived from the Poisson-Boltzmann and Stokes equations, which are in good agreement with the numerical results. The influence of electrofriction and partial slip on the flow profiles is discussed.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation*
  • Electricity*
  • Electrochemistry
  • Ions / chemistry*
  • Microfluidics
  • Models, Chemical
  • Osmosis*

Substances

  • Ions