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Dr. Hongjun Liu and Prof. Edward Maginn An MD Study of the Applicability of the Walden Rule and the Nernst–Einstein Model for Ionic Liquids ChemPhysChem 13

Version of Record online: 29 FEB 2012 | DOI: 10.1002/cphc.201200016

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Walden rule and ionicity: Ionic conductivities, shear viscosities and self-diffusivities were computed in MD simulations for six ionic liquids (see picture). These ionic liquids closely follow the Walden rule that relates ionic conductivity to fluidity. The computed ionic conductivities agree well with those predicted from the Nernst–Einstein model, suggesting that the ionicity of these ionic liquids is high.

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