Investigating the Viscosity and Dielectric Constants of Ionic Liquids Using Stockmayer Fluid Molecular Dynamics Simulations.

We developed a coarse-grained molecular dynamics simulation model for room-temperature ionic liquids using a Stockmayer fluid (SF). In our model, the ions are represented as charged Lennard-Jones spheres with embedded dipole moments, accounting for molecular polarization. This study evaluates the effectiveness of our scheme to determine model parameters without relying on atomistic molecular dynamics simulations by comparing the simulation results with the experimental data of the viscosity and dielectric constant. Our results demonstrate that, despite the simplicity of the SF model, it can simultaneously capture the viscosity and dielectric constants of various ionic liquids in liquid phases.