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Title: Generic transport coefficients of a confined electrolyte solution
Authors: Yoshida, Hiroaki
Mizuno, Hideyuki
Kinjo, Tomoyuki
Washizu, Hitoshi
Barrat, Jean-Louis
Author's alias: 吉田, 広顕
Issue Date: 11-Nov-2014
Publisher: American Physical Society (APS)
Journal title: Physical Review E
Volume: 90
Issue: 5
Thesis number: 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.
Rights: ©2014 American Physical Society
DOI(Published Version): 10.1103/PhysRevE.90.052113
PubMed ID: 25493746
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