Energy storage systems, such as supercapacitors, have gained critical importance among researchers because of society’s need to store energy from periodic, renewable resources such as solar and wind. Key to understanding these systems is elucidating the behavior of the solvent system, which often contains salt to act as an electrolyte, acetonitrile acting as a common solvent. Specifically, among the properties under study by researchers is the dielectric constant of the solvent system, both with and without various amounts of salt. In this work, we use classical molecular dynamics (MD) to model the dielectric constant of acetonitrile with two separate salts (NaI and LiBr). We will then compare our results with those of experiment.

Molecular modeling of dielectric constant of acetonitrile as a function of salt concentration

251st National Meeting (2016)

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