Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions.
J Chem Phys
; 152(13): 134102, 2020 Apr 07.
Article
em En
| MEDLINE
| ID: mdl-32268750
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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MEDLINE
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En
Ano de publicação:
2020
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Article