Dielectric friction and solvation dynamics: Novel results on relaxation in dipolar liquids
Srabani Roy Snehasudha Komath Biman Bagchi
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In this article we present a new, general but simple, microscopic expression for time-dependent solvation energy of an ion. This expression is surprisingly similar to the expression for the time-dependent dielectric friction on a moving ion. We show that both the Chandra-Bagchi and the Fried-Mukamel formulations of solvation dynamics can be easily derived from this expression. This expression leads to an almost perfect agreement of the theory with all the available computer simulation results. Second, we show here for the first time that the mobility of a light solute ion can significantly accelerate its own solvation, specially in the underdamped limit. The latter result is also in excellent agreement with the computer simulations.
Srabani Roy1 Snehasudha Komath1 Biman Bagchi1
Volume 135, 2023
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