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

Authors
Lee, KyusupSung, JaeyoungChoi, Cheol HoLee, Sangyoub
Issue Date
7-Apr-2020
Publisher
AMER INST PHYSICS
Citation
JOURNAL OF CHEMICAL PHYSICS, v.152, no.13
Journal Title
JOURNAL OF CHEMICAL PHYSICS
Volume
152
Number
13
URI
https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/42921
DOI
10.1063/1.5144269
ISSN
0021-9606
1089-7690
Abstract
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.
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자연과학대학 (화학과)
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