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Generic transport coefficients of a confined electrolyte solution

Yoshida, Hiroaki and Mizuno, Hideyuki and Kinjo, Tomoyuki and Washizu, Hitoshi and Barrat, Jean-Louis (2014) Generic transport coefficients of a confined electrolyte solution. Physical Review E, 90, 052113. American Physical Society. DOI: 10.1103/PhysRevE.90.052113 ISSN 1539-3755

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Official URL: http://journals.aps.org/pre/abstract/10.1103/PhysRevE.90.052113

Abstract

Physical parameters characterizing electrokinetic transport in a confined electrolyte solution are reconstructed from the generic transport coefficients obtained within the classical nonequilibrium statistical thermodynamic framework. The electro-osmotic flow, the diffusio-osmotic flow, the osmotic current, as well as the pressure-driven Poiseuille-type flow, the electric conduction, and the ion diffusion are described by this set of transport coefficients. The reconstruction is demonstrated for an aqueous NaCl solution between two parallel charged surfaces with a nanoscale gap, by using the molecular dynamic (MD) simulations. A Green-Kubo approach is employed to evaluate the transport coefficients in the linear-response regime, and the fluxes induced by the pressure, electric, and chemical potential fields are compared with the results of nonequilibrium MD simulations. Using this numerical scheme, the influence of the salt concentration on the transport coefficients is investigated. Anomalous reversal of diffusio-osmotic current, as well as that of electro-osmotic flow, is observed at high surface charge densities and high added-salt concentrations.

Item URL in elib:https://elib.dlr.de/103167/
Document Type:Article
Title:Generic transport coefficients of a confined electrolyte solution
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Yoshida, HiroakiUNSPECIFIEDUNSPECIFIED
Mizuno, Hideyukihideyuki.mizuno (at) dlr.deUNSPECIFIED
Kinjo, TomoyukiUNSPECIFIEDUNSPECIFIED
Washizu, HitoshiUNSPECIFIEDUNSPECIFIED
Barrat, Jean-LouisUNSPECIFIEDUNSPECIFIED
Date:11 November 2014
Journal or Publication Title:Physical Review E
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:No
Volume:90
DOI :10.1103/PhysRevE.90.052113
Page Range:052113
Publisher:American Physical Society
ISSN:1539-3755
Status:Published
Keywords:molecular dynamics simulation
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Research under Space Conditions
DLR - Research area:Raumfahrt
DLR - Program:R FR - Forschung unter Weltraumbedingungen
DLR - Research theme (Project):R - Vorhaben Materialwissenschaftliche Forschung (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Sperl, Matthias
Deposited On:22 Feb 2016 07:19
Last Modified:10 Jan 2019 15:49

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