Ion Transport in Polymerized Ionic Liquid–Ionic
Liquid Blends
Posted on 2018-11-16 - 19:19
We used atomistic molecular dynamics
simulations to study ion mobilities
and the molecular mechanisms of transport in blends of poly(1-butyl-3-vinylimidazolium
hexafluorophosphate) electrolytes with 1-butyl-3-methylimidazolium
hexafluorophosphate ionic liquids. We characterized the structural
and dynamical properties of the blend electrolyte systems through
radial distribution functions, diffusivities, conductivities, and
different time scales of relaxation and probed the correlations underlying
such characteristics. Our results indicate that many features of ion
transport in such blend systems mirror those observed in our earlier
study of pure polymerized ionic liquids [Mogurampelly et al. J. Am. Chem. Soc. 2017, 139, 9511]. Explicitly, we observe that the anions associated with the
polymerized cation move along the polymer backbone via the formation
and breakup of ion pairs involving polymerized cationic monomers of
different polymer chains. Interestingly, for all blend systems excepting
pure polymeric ionic liquids, the anion mobilities were seen to be
correlated to the ion-pair relaxation times of the free cation–anion
pairs. Both the transference numbers and the deviations from the Nernst–Einstein
conductivities exhibited minimal variations when examined as a function
of the blend compositions. However, as a result of the influence of
mobile cations, an optimal blending composition achieves the highest
conductivities at a temperature normalized by the glass transition
temperature.
CITE THIS COLLECTION
DataCite
3 Biotech
3D Printing in Medicine
3D Research
3D-Printed Materials and Systems
4OR
AAPG Bulletin
AAPS Open
AAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)
Academic Medicine
Academic Pediatrics
Academic Psychiatry
Academic Questions
Academy of Management Discoveries
Academy of Management Journal
Academy of Management Learning and Education
Academy of Management Perspectives
Academy of Management Proceedings
Academy of Management Review
Mogurampelly, Santosh; Ganesan, Venkat (2018). Ion Transport in Polymerized Ionic Liquid–Ionic
Liquid Blends. ACS Publications. Collection. https://doi.org/10.1021/acs.macromol.8b01460
or
Select your citation style and then place your mouse over the citation text to select it.
SHARE
Usage metrics
Read the peer-reviewed publication
AUTHORS (2)
SM
Santosh Mogurampelly
VG
Venkat Ganesan
KEYWORDS
hexafluoroion Transportconductivitieblend compositionsion-pair relaxation timesdistribution functionsblend systems mirrorstudy ion mobilitiesanion mobilitiespolymerized cationic monomersglass transition temperatureion transporttransference numbersion pairsblend systemspolymerized cation movepolymer backbonetime scalesblend electrolyte systemsdynamics simulationspolymer chains