Effect of temperature and water content on the shear viscosity of the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide as studied by atomistic simulations.

摘要: Atomistic simulations are conducted to examine the dependence of viscosity 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide on temperature and water content. A nonequilibrium molecular dynamics procedure is utilized along with an established fixed charge force field. It found that quantitatively capture as well drop in occurs increasing Using mixture models, we show relative content actually less than would be predicted for ideal system. This finding at odds popular notion small amounts cause unusually large ionic liquids. The suggest that, due preferential association anions formation clusters, excess molar volume negative. means dissolved effective lowering th...