Coarse-grained simulations of ionic liquid materials: from monomeric ionic liquids to ionic liquid crystals and polymeric ionic liquids
Yong‐Lei Wang, Bin Li, Aatto Laaksonen
Abstract
A novel coarse-grained model for ethyl-imidazolium tetrafluoroborate ionic liquids were developed to study thermotropic phase behaviors of monomeric ionic liquids and to explore ion association structures and ion transport quantities in polymeric ionic liquids with different architectures.
Topics & Concepts
Ionic liquidTetrafluoroborateThermotropic crystalMonomerIonic bondingIonPhase (matter)Materials scienceChemistryChemical engineeringInorganic chemistryChemical physicsOrganic chemistryPolymerLiquid crystallineEngineeringCatalysisIonic liquids properties and applicationsMaterial Dynamics and PropertiesConducting polymers and applications