Email this article Molecular Dynamic Study of the Behavior of Confined [BMIM][PF6] Ionic Liquids: Pore Size Dependence
- Authors: Liu C.1, Feng H.2
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Affiliations:
- School of Teacher Education/School of Education Science, Jiangsu Normal University
- Xuzhou University of Technology
- Issue: Vol 92, No 12 (2018)
- Pages: 2524-2529
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/170260
- DOI: https://doi.org/10.1134/S0036024418120087
- ID: 170260
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Abstract
This work aimed to investigate the structural and dynamical properties of ionic liquid (IL) 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) confined between two parallel and flat Au sheets. Thus, molecular dynamic (MD) simulations were performed for different pore sizes including 1.2, 2.0, and 3.0 nm at 300 K. The results showed that the behavior of confined ILs are totally depart from the bulk ones. Further, it is should be noted that, these differences greatly depended on the pore size. Our results suggest that the interactions between Au pore walls and the ILs are obviously strengthened by the decrease of the pore sizes.
Keywords
About the authors
Cui Liu
School of Teacher Education/School of Education Science, Jiangsu Normal University
Author for correspondence.
Email: lcivy@163.com
China, Xuzhou, Jiangsu, 221116
Hui Feng
Xuzhou University of Technology
Author for correspondence.
Email: 664282853@qq.com
China, Xuzhou, 221018
