Molecular Dynamics Simulation of Mixture of Ionic Liquid 1-Ethyl-3- Methyl Imidazolium Methyl Sulfate and Water

Molecular dynamics simulations are applied to study 1-ethyl-3- methylimidazolium methyl sulfate ionic liquid/water mixture. The density, excess molar volume, water cluster size, radial distribution function, and hydrogen bonding are studied that are in good agreement with the literature. The number of hydrogen bonds of water-water increased with increasing water mole fraction in mixtures that is in agreement with large water clusters in high water mole fraction.