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

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

doi:10.1021/acs.jpcb.7b09423

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

Journal Article · Tue Nov 28 00:00:00 EST 2017 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI:https://doi.org/10.1021/acs.jpcb.7b09423· OSTI ID:1423008

Bocharova, V. ^[1]; Wojnarowska, Z. ^[2]; Cao, Peng-Fei ^[1]; Fu, Y. ^[3]; Kumar, R. ^[4]; Li, Bingrui ^[1]; Novikov, V. N. ^[5]; Zhao, S. ^[5]; Kisliuk, A. ^[1]; Saito, T. ^[1]; Mays, Jimmy W. ^[6]; Sumpter, B. G. ^[4]; Sokolov, A. P. ^[6]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Univ. of Silesia, Katowice (Poland). Inst. of Physics; Silesian Center for Education and Interdisciplinary Research, Chorzow (Poland)
Univ. of Cincinnati, OH (United States). Dept. of Aerospace Engineering & Engineering Mechanics
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences. Computational Sciences & Engineering Division
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemistry

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 (T_g) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this paper, we show experimental and simulation results demonstrating that in these materials T_g does not follow a universal scaling behavior with the volume of the structural units V_m (including monomer and counterion). Instead, T_g 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 T_g in PolyILs. Finally, our model enables design of new functional PolyILs with the desired T_g.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Silesia, Katowice (Poland); Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: National Science Centre (Poland); National Science Foundation (NSF) (United States); ORNL Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1423008

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: 51 Vol. 121; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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