Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids

V. Bocharova, Z. Wojnarowska, Peng Fei Cao, Y. Fu, R. Kumar, Bingrui Li, V. N. Novikov, S. Zhao, A. Kisliuk, T. Saito, Jimmy W. Mays, B. G. Sumpter, A. P. Sokolov

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61 Scopus citations

Abstract

Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (Tg) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this work, we show experimental and simulation results demonstrating that in these materials Tg does not follow a universal scaling behavior with the volume of the structural units Vm (including monomer and counterion). Instead, Tg is significantly influenced by the chain flexibility and polymer dielectric constant. We propose a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe Tg in PolyILs. Our model enables design of new functional PolyILs with the desired Tg.

Original languageEnglish
Pages (from-to)11511-11519
Number of pages9
JournalJournal of Physical Chemistry B
Volume121
Issue number51
DOIs
StatePublished - Dec 28 2017

Funding

This work was supported by Laboratory Directed Research and Development program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy (DOE). A.P.S., B.G.S., A.K. acknowledge partial financial support by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. MD simulations were performed at the Center for Nanophase Materials Sciences, which is a US DOE Office of Science User Facility. V.N.N. thanks the NSF Polymer Program (DMR-1408811) for funding theoretical part. Z.W. is deeply grateful for the financial support by the National Science Centre within the framework of the Opus8 project (Grant DEC-2014/15/B/ST3/04246).

FundersFunder number
National Science FoundationDMR-1408811
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
Laboratory Directed Research and Development
Division of Materials Sciences and Engineering
Narodowe Centrum NaukiDEC-2014/15/B/ST3/04246

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