title: Generic transport coefficients of a confined electrolyte solution.
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.
authors.affiliation: Toyota Central R&D Labs., Inc., Nagakute, Aichi 480-1192, Japan and Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245, Japan.
authors.forename: Hiroaki
authors.initials: H
authors.lastname: Yoshida
authors.affiliation: Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln, Germany.
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Mizuno
authors.affiliation: Toyota Central R&D Labs., Inc., Nagakute, Aichi 480-1192, Japan and Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245, Japan.
authors.forename: Tomoyuki
authors.initials: T
authors.lastname: Kinjo
authors.affiliation: Toyota Central R&D Labs., Inc., Nagakute, Aichi 480-1192, Japan and Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245, Japan.
authors.forename: Hitoshi
authors.initials: H
authors.lastname: Washizu
authors.affiliation: Laboratory for Interdisciplinary Physics, UMR 5588, Université Grenoble 1 and CNRS, 38402 Saint Martin d'Hères, France and Institut Laue-Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble, France.
authors.forename: Jean-Louis
authors.initials: JL
authors.lastname: Barrat