Modeling electrokinetics in ionic liquids: General

Wang, Chao; Bao, Jie; Pan, Wenxiao; Sun, Xin

doi:10.1002/elps.201600455

Modeling electrokinetics in ionic liquids: General

Journal Article · Fri Apr 07 00:00:00 EDT 2017 · Electrophoresis

DOI:https://doi.org/10.1002/elps.201600455· OSTI ID:1378035

Wang, Chao ^[1]; Bao, Jie ^[2]; Pan, Wenxiao ^[3]; Sun, Xin ^[1]

Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA USA
Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland WA USA
Department of Mechanical Engineering, University of Wisconsin-Madison, Madison WI USA

Using direct numerical simulations we provide a thorough study on the electrokinetics of ionic liquids. In particular, the modfied Poisson-Nernst-Planck (MPNP) equations are solved to capture the crowding and overscreening effects that are the characteristics of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the MPNP equations are coupled with the Navier-Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel plates, charging dynamics in a 2D straight-walled pore, electro-osmotic ow in a nano-channel, electroconvective instability on a plane ion-selective surface, and electroconvective ow on a curved ion-selective surface. We discuss how the crowding and overscreening effects and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.

Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1378035

Report Number(s):: PNNL-SA--121684; AA9010100

Journal Information:: Electrophoresis, Journal Name: Electrophoresis Journal Issue: 13-14 Vol. 38; ISSN 0173-0835

Country of Publication:: United States

Language:: English

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