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Title: Modeling electrokinetics in ionic liquids: General

Abstract

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.

Authors:
 [1];  [2];  [3];  [1]
  1. Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland WA USA
  2. Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland WA USA
  3. Department of Mechanical Engineering, University of Wisconsin-Madison, Madison WI USA
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1378035
Report Number(s):
PNNL-SA-121684
Journal ID: ISSN 0173-0835; AA9010100
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Electrophoresis (Weinheim)
Additional Journal Information:
Journal Volume: 38; Journal Issue: 13-14; Journal ID: ISSN 0173-0835
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wang, Chao, Bao, Jie, Pan, Wenxiao, and Sun, Xin. Modeling electrokinetics in ionic liquids: General. United States: N. p., 2017. 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. Fri . "Modeling electrokinetics in ionic liquids: General". United States. doi:10.1002/elps.201600455.
@article{osti_1378035,
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 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.},
doi = {10.1002/elps.201600455},
journal = {Electrophoresis (Weinheim)},
issn = {0173-0835},
number = 13-14,
volume = 38,
place = {United States},
year = {2017},
month = {4}
}

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