Computer Simulation Studies of Solvation Dynamics in Mixtures
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Solvation dynamics (SD) in liquid mixtures often occurs on a slower time scale than predicted on the basis of the mixture dielectric properties. In onecomponent polar liquids, the SD mechanism is dominated by reorientation of solvent molecules in response to the change in solute charge distribution. If the solute polarity changes upon electronic excitation, the mixed solvent response includes a change in local composition. SD in mixtures will usually depend on the time scale of this process. The relative importance of the solvent redistribution step varies with solvent component polarity, composition, the extent of change in preferential solvation and other factors. Considerable progress towards understanding SD in mixtures has been made in recent years, through experiments, computer simulation and theory. I will review some of the recent results, focusing primarily on computer simulation studies.
KeywordsSolvation Free Energy Preferential Solvation Solvation Mechanism Solvation Dynamic Solvent Component
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