Computational investigation of dynamical heterogeneity in ionic liquids based on the restricted primitive model

Abstract

© 2022 Korean Chemical Society, Seoul & Wiley-VCH GmbHThe locally heterogeneous dynamics of the glass-forming liquids is an unusual and distinct phenomenon that is not observed in a typical liquid system above the melting temperature. Room-temperature ionic liquids (RTILs) are usually good glass formers, exhibiting various interesting features of glassy materials such as nonexponential and non-Arrenhius relaxations and transport decoupling behaviors. In this study, we propose a minimal model that represents the general structural features of RTILs to study their dynamics by extending the restricted primitive model. We mainly focus on the heterogeneous dynamics of the RTIL as a glass former and investigate how the charge symmetry of each ion affects the structural relaxation, diffusive behavior, and the dynamic heterogeneity lifetime of the system.