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Title: Modeling electrokinetics in ionic liquids: General

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.
Authors:
 [1] ;  [2] ;  [3] ;  [1]
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Physical and Computational Science Directorate
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environment Directorate
  3. Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Mechanical Engineering
Publication Date:
Report Number(s):
PNNL-SA-121684
Journal ID: ISSN 0173-0835
Grant/Contract Number:
AC05-76RL01830; 325038
Type:
Accepted Manuscript
Journal Name:
Electrophoresis (Weinheim)
Additional Journal Information:
Journal Name: Electrophoresis (Weinheim); Journal Volume: 38; Journal Issue: 13-14; Journal ID: ISSN 0173-0835
Research Org:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org:
USDOE Office of Fossil Energy (FE); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; 42 ENGINEERING; Electroconvective flow; Electrokinetics; Ionic liquids; Modified Poisson-Nernst-Planck equations
OSTI Identifier:
1357059
Alternate Identifier(s):
OSTI ID: 1401767

Wang, Chao, Bao, Jie, Pan, Wenxiao, and Sun, Xin. Modeling electrokinetics in ionic liquids: General. United States: N. p., Web. doi:10.1002/elps.201600455.
Wang, Chao, Bao, Jie, Pan, Wenxiao, & Sun, Xin. Modeling electrokinetics in ionic liquids: General. United States. doi:10.1002/elps.201600455.
Wang, Chao, Bao, Jie, Pan, Wenxiao, and Sun, Xin. 2017. "Modeling electrokinetics in ionic liquids: General". United States. doi:10.1002/elps.201600455. https://www.osti.gov/servlets/purl/1357059.
@article{osti_1357059,
title = {Modeling electrokinetics in ionic liquids: General},
author = {Wang, Chao and Bao, Jie and Pan, Wenxiao and Sun, Xin},
abstractNote = {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.},
doi = {10.1002/elps.201600455},
journal = {Electrophoresis (Weinheim)},
number = 13-14,
volume = 38,
place = {United States},
year = {2017},
month = {4}
}

Works referenced in this record:

Physical Properties of Ionic Liquids: Database and Evaluation
journal, December 2006
  • Zhang, Suojiang; Sun, Ning; He, Xuezhong
  • Journal of Physical and Chemical Reference Data, Vol. 35, Issue 4, p. 1475-1517
  • DOI: 10.1063/1.2204959