In this report a molecular Debye-Huckel theory for ionic fluids is developed.Starting from the macroscopic Maxwell equations for bulk systems,the dispersion relation leads to a generalized Debye-Huckel theory which is related to the dressed ion theory in the static case.In the dynamic case, a generalized collective modes approach is used to compute the dispersion relation from molecular dynamics simulations, which can be used to calculate solvation correlation functions. Applications to an NaCl model fluid and other room temperature ionic liquids demonstrate the accuracy of our theoretical approach.

Molecular Debye-Huckel theory approach to solvation dynamics in ionic fluids

248th National Meeting (2014)

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