Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4
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DOI: 10.1080/08927022.2019.1651931
Abstract: ABSTRACT Molecular dynamics simulations are often used to study the structures and dynamics of ionic liquids. Here, we have simulated three ionic liquids, trihexyl(tetradecyl)-phosphonium chloride [P66614][Cl], 1-butyl-3-methylimidazolium acecate [BMIm][Oac] and 1-ethyl-3-methylimidazolium dicyanamide, [EMIm][DCA] in a… read more here.
Keywords: dynamical properties; liquids molecular; molecular dynamics; structural dynamical ... See more keywords