Journal article
Structure and Dynamics of an Ionic Liquid Mixture Film Confined by Mica
Journal of physical chemistry. C, Vol.123(34), pp.20971-20979
08/29/2019
DOI: 10.1021/acs.jpcc.9b05510
Abstract
In a recent article (J. Phys. Chem. C 2019, 123, 4914-4925) we studied using molecular dynamics simulations the structure of an ionic liquid (IL) mixture comprised of 1-methyl-3-octylimidazolium octylsulfate and 1-ethyl-3-methylimidazolium ethylsulfate confined by vacuum interfaces. At these interfaces, the mixture formed an apolar blocking layer concealing the smaller and more polar ions to the interior of the liquid phase. In the current work, and for the same IL mixture, we study the case of confinement between (001) mica surfaces, where the solid provides a flat and polar ionic interface. Our focus is twofold; first, we want to understand the structural and dynamical behaviors of the IL mixture at the boundary where the confining interface is highly polar, and second we want to establish how far away from the interface liquid behavior is recovered. This last point is particularly important in light of puzzling recent experimental results regarding the behavior of ILs and solutes dissolved in them under confinement, where large distances appear to be necessary to recover true bulk behavior. We find that the IL mixture is highly structured at the adlayer, but within 5 nm bulk-like structural features are recovered. Dynamical properties at the center of our thin film also appear converged to bulk behavior, but further studies are required to fully address the issue of dynamics within confined IL films.
Details
- Title: Subtitle
- Structure and Dynamics of an Ionic Liquid Mixture Film Confined by Mica
- Creators
- Waruni V Karunaratne - Department of Chemistry, University of Iowa, Iowa City 52242, Iowa, United StatesClaudio J Margulis - Department of Chemistry, University of Iowa, Iowa City 52242, Iowa, United States
- Resource Type
- Journal article
- Publication Details
- Journal of physical chemistry. C, Vol.123(34), pp.20971-20979
- DOI
- 10.1021/acs.jpcc.9b05510
- NLM abbreviation
- J Phys Chem C Nanomater Interfaces
- ISSN
- 1932-7447
- eISSN
- 1932-7455
- Publisher
- American Chemical Society
- Grant note
- DOI: 10.13039/100000165, name: Division of Chemistry, award: 1664832
- Language
- English
- Date published
- 08/29/2019
- Academic Unit
- Chemistry
- Record Identifier
- 9984216562702771
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