Note: Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size

Finding accurate approximations for the effective reactivity of a structured spherical target with a circular absorbing patch of arbitrary size is a long-standing problem in chemical physics. In this Note, we reveal the limitations of the empirical approximation proposed in Dagdug et al., [J. Chem. Phys. 145, 214101 (2016)]. We show that the original approximation fails at large patch surface fractions σ and propose a simple amendment. The improved approximation is validated against a semi-analytical solution and is shown to be accurate over the entire range of σ from 0 to 1. This approximation also determines the probability of reaction on the patch and the capacitance of such a structured target.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-08-22
DOI
https://doi.org/10.1063/5.0290891
Citations
1
Primary Topic
Diffusion and Search Dynamics
Type
article
Field-Weighted Citation Impact
0.81

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article

Note: Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size

Denis S. Grebenkov
1 citations
The Journal of Chemical Physics
Diffusion and Search Dynamics
0.81
article

Note: Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size

Denis S. Grebenkov
article en
1 citations

Abstract

Finding accurate approximations for the effective reactivity of a structured spherical target with a circular absorbing patch of arbitrary size is a long-standing problem in chemical physics. In this Note, we reveal the limitations of the empirical approximation proposed in Dagdug et al., [J. Chem. Phys. 145, 214101 (2016)]. We show that the original approximation fails at large patch surface fractions σ and propose a simple amendment. The improved approximation is validated against a semi-analytical solution and is shown to be accurate over the entire range of σ from 0 to 1. This approximation also determines the probability of reaction on the patch and the capacitance of such a structured target.

The Journal of Chemical PhysicsVol. 163(8)
Centre National de la Recherche Scientifique (FR), École Polytechnique (FR)
Alexander von Humboldt-Stiftung
Openalex Percentile: Top 24%
Diffusion and Search Dynamics
0.81
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