Molecular Dynamics Study of Ionic Liquid [Bmim][OTf]

We performed the Classical Molecular dynamics simulation of pure ionic liquid 1-butyl-3- methylimidazolium trifluoromethanesulfonate, [Bmim][OTf] at 298.15 K temperature and 1 atm. Pressure. We calculated structural and dynamical properties such as density, radial distribution functions, spatial distribution functions, mean square displacements, and diffusion coefficients. We observed that cation of ionic liquid is approaching towards anion, also observed that cation is more diffuse compare to anion.