English

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

Chemical Physics 2025-07-16 v1

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 Communication, we reveal limitations of the empirical approximation proposed in [J. Chem. Phys. 145, 214101 (2016)]. We show that the original approximation fails at large patch surface fractions σ\sigma 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\sigma from 00 to 11. This approximation also determines the probability of reaction on the patch and the capacitance of such a structured target.

Keywords

Cite

@article{arxiv.2507.11197,
  title  = {Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size},
  author = {Denis S. Grebenkov},
  journal= {arXiv preprint arXiv:2507.11197},
  year   = {2025}
}