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

摘要

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