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Title: Ion mixing, hydration, and transport in aqueous ionic systems

The enhancement effect on the ion mobility of fluoride (and that of chloride) in a polycationic system, as the chloride content increases, is shown to also exist in other more simple ionic systems with cations such as the cesium ion and an organic ammonium ion. As the chloride content increases, in addition to the finding that there is more unbound water associated with the cation, we also observe that the average lifetime of a hydrogen bond decreases. This change to the hydrogen bonds is correlated to significant changes to both the structural and dynamical properties of water. The more disordered water structure and faster water dynamics are hypothesized to be also responsible for the enhanced ion mobilities. Furthermore, when either the chloride content or hydration level is changed, the self-diffusion constant of each co-ion changes by almost the same factor, implying the existence of a single universal transport mechanism that determines ion mobilities.
Authors:
;  [1] ;  [2]
  1. Department of Chemistry, James Franck Institute, and Computation Institute, The University of Chicago, Chicago, Illinois 60637 (United States)
  2. Department of Physics and James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States)
Publication Date:
OSTI Identifier:
22415780
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 18; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CATIONS; CESIUM IONS; CHLORIDES; COBALT IONS; FLUORIDES; HYDRATION; HYDROGEN; ION MOBILITY; LIFETIME; SELF-DIFFUSION; WATER