Molecular simulation of electrokinetic flows

ORAL

Abstract

We develop a highly accurate and efficient molecular approach to simulate micro and nano electrokinetic flows. We calculate the long range Coulombic interactions using Particle-Particle Particle-Mesh (P$^3$M) approach. The Poisson equation for charge potential is solved in physical space using an iterative multi-grid technique. We demonstrate our approach through simulation of electro-osmotic channel flows with nano roughness on the walls. By comparing the flow rate with traditional pressure driven flows, our results indicate that in electro-osmotic flow the roughness affects the flow through altering the charge density distribution in the electrical double layer (EDL).

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Authors

  • Jin Liu

    • Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218

  • Moran Wang

    • EES-6 and T-13, Los Alamos National Laboratory, Los Alamos, NM 87545

  • Shiyi Chen

    • Johns Hopkins University and Peking University
    • Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218

  • Mark O. Robbins

    • Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, MD 21218