A “reduced” model for the dipolar relaxation of water taking hydrogen-bond dynamics into account is built up. Via proper diffusional assumptions this leads us to study dielectric relaxation in terms of some relevant statistical properties of the hydrogen bond. The resulting relationship is shown to fit well with experiment. This approach is argued to be especially suitable for effectively using information from computer simulation so as to make it possible to explore the short-time region.
A “microscopic” model for the dynamics of water / Davide, Bertolini; Mario, Cassettari; Ferrario, Mauro; Giuseppe, Salvetti; Paolo, Grigolini. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 98:(1983), pp. 548-553. [10.1016/0009-2614(83)80239-5]
A “microscopic” model for the dynamics of water
FERRARIO, Mauro;
1983
Abstract
A “reduced” model for the dipolar relaxation of water taking hydrogen-bond dynamics into account is built up. Via proper diffusional assumptions this leads us to study dielectric relaxation in terms of some relevant statistical properties of the hydrogen bond. The resulting relationship is shown to fit well with experiment. This approach is argued to be especially suitable for effectively using information from computer simulation so as to make it possible to explore the short-time region.
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