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| - Connection between Proton Abnormal Conductivity in Water and Dielectric RelaxationTime
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| - High proton conductivity in aqueous solutions has been known for a long time and is attributed to the Grotthusmechanism. In this study, we calculated the proton-transfer rate constant associated with prototropic mobilityin water as a function of temperature. We found a strong correlation between the proton-transfer rate constantat low temperatures, T < 290 K, and the dielectric relaxation time. The model that we used to calculate theproton-transfer rate constant is based on diffusive propagation of the solvent configuration along a generalizedsolvent coordinate from the reactant potential surface toward the crossing point with the product potentialsurface. The proton transfer occurs at the crossing point, and the rate is calculated by a sink term placed atthe crossing point. The sink term includes the solvent velocity and the Landau−Zener transmission coefficient.Both the diffusion constant and the Landau−Zener transmission coefficient depend on the dielectric relaxationof the solvent. The calculations are compared with the proton mobility data and an interpolation expressionthat bridges the nonadiabatic limit and the solvent-controlled limit.
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