Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids
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 paper, 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. Finally, our model enables design of new functional PolyILs with the desired Tg.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Silesia, Katowice (Poland); Univ. of Tennessee, Knoxville, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); ORNL Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF); National Science Centre (Poland)
- OSTI Identifier:
- 1423008
- Grant/Contract Number:
- AC05-00OR22725; DMR-1408811; DEC-2014/15/B/ST3/04246
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
- Additional Journal Information:
- Journal Volume: 121; Journal Issue: 51; Journal ID: ISSN 1520-6106
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE
Citation Formats
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., and Sokolov, A. P. Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids. United States: N. p., 2017.
Web. doi:10.1021/acs.jpcb.7b09423.
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. Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids. United States. https://doi.org/10.1021/acs.jpcb.7b09423
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., and Sokolov, A. P. Tue .
"Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids". United States. https://doi.org/10.1021/acs.jpcb.7b09423. https://www.osti.gov/servlets/purl/1423008.
@article{osti_1423008,
title = {Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids},
author = {Bocharova, V. and Wojnarowska, Z. and Cao, Peng-Fei and Fu, Y. and Kumar, R. and Li, Bingrui and Novikov, V. N. and Zhao, S. and Kisliuk, A. and Saito, T. and Mays, Jimmy W. and Sumpter, B. G. and Sokolov, A. P.},
abstractNote = {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 paper, 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. Finally, our model enables design of new functional PolyILs with the desired Tg.},
doi = {10.1021/acs.jpcb.7b09423},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 51,
volume = 121,
place = {United States},
year = {Tue Nov 28 00:00:00 EST 2017},
month = {Tue Nov 28 00:00:00 EST 2017}
}
Web of Science
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