Abstract
Ethylene carbonate (EC) and propylene carbonate (PC) are widely used solvents in Li-ion batteries and supercapacitors. Ion %LRP solvation dissolution anddiffusion in those media are correlated with solvent dielectric %lrp propertiesresponses. %LRP usedHere, we use all-atom molecular dynamics simulations of the pure solvents to calculatedielectric constants and relaxation times. The dielectric constantmeasures polarization of a materialby a static applied field while the relaxation assesses the lag ofthe polarization in responding to a changing applied field. Predicted valuesare compared with the available experimental results to validate the force fieldparameters (OPLS-AA) for these solvents. Results for dielectric constants andrelaxation times agree with experiment for both EC and PC.