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Title: Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels

Abstract

Ion transport through nanochannels depends on various external driving forces as well as the structural and hydrodynamic inhomogeneity of the confined fluid inside of the pore. Conventional models of electrokinetic transport neglect the discrete nature of ionic species and electrostatic correlations important at the boundary and often lead to inconsistent predictions of the surface potential and the surface charge density. Here, we demonstrate that the electrokinetic phenomena can be successfully described by the classical density functional theory in conjunction with the Navier–Stokes equation for the fluid flow. The new theoretical procedure predicts ion conductivity in various pH-regulated nanochannels under different driving forces, in excellent agreement with experimental data.

Authors:
 [1];  [2];  [3];  [3];  [2]
  1. Department of Chemical and Environmental Engineering and Department of Mathematics, University of California, Riverside, California 92521, United States; Department of Chemical Engineering, Tsinghua University, Beijing 100084, China
  2. Department of Chemical and Environmental Engineering and Department of Mathematics, University of California, Riverside, California 92521, United States
  3. Department of Chemical Engineering, Tsinghua University, Beijing 100084, China
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1386329
DOE Contract Number:
ERKCC61
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 5; Journal Issue: 17; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; catalysis (heterogeneous), solar (fuels), energy storage (including batteries and capacitors), hydrogen and fuel cells, electrodes - solar, mechanical behavior, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Kong, Xian, Jiang, Jian, Lu, Diannan, Liu, Zheng, and Wu, Jianzhong. Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels. United States: N. p., 2014. Web. doi:10.1021/jz5013802.
Kong, Xian, Jiang, Jian, Lu, Diannan, Liu, Zheng, & Wu, Jianzhong. Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels. United States. doi:10.1021/jz5013802.
Kong, Xian, Jiang, Jian, Lu, Diannan, Liu, Zheng, and Wu, Jianzhong. Tue . "Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels". United States. doi:10.1021/jz5013802.
@article{osti_1386329,
title = {Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels},
author = {Kong, Xian and Jiang, Jian and Lu, Diannan and Liu, Zheng and Wu, Jianzhong},
abstractNote = {Ion transport through nanochannels depends on various external driving forces as well as the structural and hydrodynamic inhomogeneity of the confined fluid inside of the pore. Conventional models of electrokinetic transport neglect the discrete nature of ionic species and electrostatic correlations important at the boundary and often lead to inconsistent predictions of the surface potential and the surface charge density. Here, we demonstrate that the electrokinetic phenomena can be successfully described by the classical density functional theory in conjunction with the Navier–Stokes equation for the fluid flow. The new theoretical procedure predicts ion conductivity in various pH-regulated nanochannels under different driving forces, in excellent agreement with experimental data.},
doi = {10.1021/jz5013802},
journal = {Journal of Physical Chemistry Letters},
number = 17,
volume = 5,
place = {United States},
year = {Tue Aug 19 00:00:00 EDT 2014},
month = {Tue Aug 19 00:00:00 EDT 2014}
}