title: Structural, dynamic, and transport properties of concentrated aqueous sodium chloride solutions under an external static electric field.
abstract: In the absence of an external electric field, it has already been known that ion clusters are formed instantaneously in moderately concentrated ionic solutions. In this work, we use molecular dynamics (MD) simulations to investigate the changes of structural, dynamic, and transport properties in a sodium chloride solution under an external electric field from the ion cluster perspective. Our MD simulation results indicate that, with a strong external electric field E (≥0.1 V/nm) applied, ion clusters become smaller and less net charged, and the structures and dynamics as well as transport properties of the ion solution become anisotropic. The influence of the cluster structure and shell structure to transport properties was analyzed and the Einstein relation was found invalid in this system.
authors.affiliation: State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences , 55 East Zhongguancun Road, P.O. Box 2735, Beijing, 100190 China.
authors.forename: Gan
authors.initials: G
authors.lastname: Ren
authors.forename: Rui
authors.initials: R
authors.lastname: Shi
authors.forename: Yanting
authors.initials: Y
authors.lastname: Wang
mesh_terms: D016880:Anisotropy; D004058:Diffusion; D007477:Ions / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D012965:Sodium Chloride / Q000737:chemistry*; D055672:Static Electricity; D014867:Water / Q000737:chemistry*
chemical_list: D007477:Ions; D014867:Water; D012965:Sodium Chloride