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Effects of the interaction potential and hydrodynamic interaction on the diffusion-influenced reaction rates
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10.1063/1.3665415
/content/aip/journal/jcp/135/22/10.1063/1.3665415
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/22/10.1063/1.3665415
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Effects of the Coulomb and the screened Coulomb interactions on the bimolecular rate coefficient in the partially diffusion-controlled case with and h(r) = 1. The values of r C and κ are varied as described in the legend. The figures at the bottom display the results for the bare Coulomb potentials with κ = 0. DS, PS, and ZS represent the results of the Dudko-Szabo, the Pedersen-Sibani, and the Zharikov-Shokhirev rate expressions, respectively.

Image of FIG. 2.
FIG. 2.

Effects of the Coulomb and the screened Coulomb interactions on the bimolecular rate coefficient in the fully diffusion-controlled case with k f (0) → ∞ and h(r) = 1. The values of r C and κ are varied as described in the legend. The figures at the bottom display the results for the bare Coulomb potentials with κ = 0. DS and ZS represent the results of the Dudko-Szabo and the Zharikov-Shokhirev rate expressions, respectively.

Image of FIG. 3.
FIG. 3.

Effects of the Coulomb and the screened Coulomb interactions on the integrated rate in the fully diffusion-controlled case with k f (0) → ∞ and h(r) = 1. The values of r C and κ are varied as described in the legend. The figures at the bottom display the results for the bare Coulomb potentials with κ = 0. In the inset figures of (d) and (f), the dotted curves, in perfect agreement with the exact numerical results, represent the results of Eq. (3.21). DS, PS, and ZS represent the results of the Dudko-Szabo, the Pedersen-Sibani, and the Zharikov-Shokhirev rate expressions, respectively.

Image of FIG. 4.
FIG. 4.

Effects of the Coulomb interaction on (a) the bimolecular rate coefficient and (b) the integrated rate in the fully diffusion-controlled case with k f (0) → ∞ and h(r) = 1. The value of r C is given in the legend. DS and ZS represent the results of the Dudko-Szabo and the Zharikov-Shokhirev rate expressions, respectively.

Image of FIG. 5.
FIG. 5.

Effects of the potential of mean force arising from the solvation structure on (a) the bimolecular rate coefficient and (b) the integrated rate in the fully diffusion-controlled case with k f (0) → ∞ and h(r) = 1. The solvation potential used in the calculation is that for a system of identical spherical particles with the packing fraction of η = 0.41. DS, PS, and ZS represent the results of the Dudko-Szabo, the Pedersen-Sibani, and the Zharikov-Shokhirev rate expressions, respectively.

Image of FIG. 6.
FIG. 6.

Effects of the Coulomb interaction potential on the geminate recombination rate in the partially diffusion-controlled case with and h(r) = 1. The values of r C and r 0 are varied as described in the legend. PS represents the results of the Pedersen-Sibani rate expression.

Image of FIG. 7.
FIG. 7.

Effects of the Coulomb interaction potential on the geminate recombination rate in the fully diffusion-controlled case with h(r) = 1. The values of r C and r 0 are varied as described in the legend. PS represents the results of the Pedersen-Sibani rate expression.

Image of FIG. 8.
FIG. 8.

Effects of the Coulomb interaction potential on the geminate recombination probability in the fully diffusion-controlled case with h(r) = 1. The values of r C and r 0 are varied as described in the legend. PS represents the results of the Pedersen-Sibani rate expression.

Image of FIG. 9.
FIG. 9.

Effects of the potential of mean force arising from the solvation structure on the kinetics of the geminate recombination reaction in the partially diffusion-controlled case with and h(r) = 1. The solvation potential used in the calculation is that for a system of identical spherical particles with the packing fraction of η = 0.41. We set the initial separation r 0 to 1.5σ. PS represents the results of the Pedersen-Sibani rate expression.

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/content/aip/journal/jcp/135/22/10.1063/1.3665415
2011-12-13
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effects of the interaction potential and hydrodynamic interaction on the diffusion-influenced reaction rates
http://aip.metastore.ingenta.com/content/aip/journal/jcp/135/22/10.1063/1.3665415
10.1063/1.3665415
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