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

Smiatek, J; Sega, M; Holm, C; Schiller, UD; Schmid, F; (2009) Mesoscopic simulations of the counterion-induced electro-osmotic flow: a comparative study. Journal of Chemical Physics , 130 (24) , Article 244702. 10.1063/1.3152844. Green open access

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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.

Type: Article
Title: Mesoscopic simulations of the counterion-induced electro-osmotic flow: a comparative study
Location: United States
Open access status: An open access version is available from UCL Discovery
DOI: 10.1063/1.3152844
Publisher version: http://dx.doi.org/10.1063/1.3152844
Language: English
Additional information: © 2009 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. along with the following message: The following article appeared in (Smiatek, J; Sega, M; Holm, C; Schiller, UD; Schmid, F; (2009) Mesoscopic simulations of the counterion-induced electro-osmotic flow: a comparative study. Journal of Chemical Physics, 130 (24), Article 244702. and may be found at http://dx.doi.org/10.1063/1.3152844.
Keywords: Computer Simulation, Electricity, Electrochemistry, Ions, Microfluidics, Models, Chemical, Osmosis
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/1460213
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