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Surface hopping propagator: An alternative approach to diffusion-influenced reactions

Abstract : Dynamics of a particle diffusing in a confinement can be seen a sequence of bulk-diffusion-mediated hops on the confinement surface. Here, we investigate the surface hopping propagator that describes the position of the diffusing particle after a prescribed number of encounters with that surface. This quantity plays the central role in diffusion-influenced reactions and determines their most common characteristics such as the propagator, the first-passage time distribution, and the reaction rate. We derive explicit formulas for the surface hopping propagator and related quantities for several Euclidean domains: half-space, circular annuli, circular cylinders, and spherical shells. These results provide the theoretical ground for studying diffusion-mediated surface phenomena. The behavior of the surface hopping propagator is investigated for both "immortal" and "mortal" particles.
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https://hal.archives-ouvertes.fr/hal-03375467
Contributor : Denis Grebenkov Connect in order to contact the contributor
Submitted on : Tuesday, October 12, 2021 - 5:48:46 PM
Last modification on : Wednesday, November 3, 2021 - 6:37:52 AM

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ArXiv 2008.12182 (2020) Greben...
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Denis Grebenkov. Surface hopping propagator: An alternative approach to diffusion-influenced reactions. Physical Review E , American Physical Society (APS), 2020, 102 (3), pp.032125. ⟨10.1103/PhysRevE.102.032125⟩. ⟨hal-03375467⟩

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