Modeling electrokinetics in ionic liquids: General

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

doi:10.1002/elps.201600455

Title: Modeling electrokinetics in ionic liquids: General

Journal Article · Sat Apr 01 00:00:00 EDT 2017 · Electrophoresis

DOI:https://doi.org/10.1002/elps.201600455· OSTI ID:1357059

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

Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Science Directorate
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environment Directorate
Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Mechanical Engineering

Using direct numerical simulations, we provide a thorough study regarding the electrokinetics of ionic liquids. In particular, modified Poisson–Nernst–Planck equations are solved to capture the crowding and overscreening effects characteristic of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the modified Poisson-Nernst-Planck equations are coupled with Navier–Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel charged surfaces, charging dynamics in a nanopore, capacitance of electric double-layer capacitors, electroosmotic flow in a nanochannel, electroconvective instability on a plane ion-selective surface, and electroconvective flow on a curved ionselective surface. Lastly, we also discuss how crowding and overscreening and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.

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

Sponsoring Organization:: USDOE Office of Fossil Energy (FE); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

Grant/Contract Number:: AC05-76RL01830; 325038

OSTI ID:: 1357059

Alternate ID(s):: OSTI ID: 1401767

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

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

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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