Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions

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초록

By applying a recently developed solution method for the Fredholm integral equation of the second kind, we obtain an expression for Green's function of the Smoluchowski equation with a reaction sink. The result is applied to obtain accurate analytical expressions for the time-dependent survival probability of a geminate reactant pair and the rate coefficient of the bulk recombination between reactants undergoing diffusive motions under strong Coulomb interactions. The effects of both repulsive and attractive interactions are considered, and the results are compared with the numerical results obtained by solving the equation for the survival probability and the nonequilibrium pair correlation function. It is shown that the solutions are accurate enough for most reasonable parameter values.

키워드

LONG-TIME BEHAVIOR; IRREVERSIBLE REACTIONS; OBSERVABLES
제목
Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions
저자
Lee, Kyusup; Sung, Jaeyoung; Choi, Cheol Ho; Lee, Sangyoub
DOI
10.1063/1.5144269
발행일
2020-04
유형
Article
저널명
The Journal of Chemical Physics
권
152
호
13