Elucidating Correlation of Morphology with Charge Transport in Polymerized Ionic Liquids
Abstract
Major Goals: To determine the impact of the chemical composition of aromatic and alkyl cations with distinct anions on the mesoscale morphology and conductive behavior of polymerized ionic liquids (polyILs). To investigate the pendant alkyl chain length effect on morphology of polyILs; To characterize the structure of polyILs with both X-ray scattering and neutron scattering; To study the anion effect on morphology of polyILs; To investigate the effect of functional group of polycation (imidazolium versus ammonium) on morphology of polyILs; To investigate the position effect of functional group (near the backbone, away the backbone and in the backbone); To explore the underlying mechanisms of ion transport in polyILs. To study the anion effect on ion transport mechanism of polyILs; To investigate the effect of functional group of polycation (imidazolium versus ammonium) on ion transport mechanism of polyILs; To investigate the pendant alkyl chain length effect on ion transport mechanism of polyILs; To investigate the pendant alkyl chain length effect on ion transport mechanism of polyILs. Accomplishments: Simulated a related set of polyILs with properly derived all-atom force field. Performed detailed structural analysis on simulation trajectories. The X-ray and neutron scattering structure factors were computed for the entire homologous series of polyILs. Derived an analysis scheme to assess ionic cluster formation and connectivity. Developed a novel scheme elucidate the ion hopping mechanism in polyILs. Applied the methodology to study the effects of different anions, cationic groups and pendant alkyl chains.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 01, 2021
- Accession Number
- AD1204177
Entities
People
- Stephen J Paddison
Organizations
- University of Tennessee system