Theory of diffusion-influenced reactions in complex geometries

Abstract : Chemical transformations involving the diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced reactions" (DIR). Virtually all biochemical processes in living media can be counted among them, together with those occurring in an ever-growing number of emerging nano-technologies. The role of the environment's geometry (obstacles, compartmentalization) and distributed reactivity (competitive reactants, traps) is key in modulating the rate constants of DIRs, and is therefore a prime design parameter. Yet, it is a formidable challenge to build a comprehensive theory that is able to describe the environment's "reactive geometry". Here we show that such a theory can be built by unfolding this many-body problem through addition theorems for special functions. Our method is powerful and general and allows one to study a given DIR reaction occurring in arbitrary "reactive landscapes", made of multiple spherical boundaries of given size and reactivity. Importantly, ready-to-use analytical formulas can be derived easily in most cases.
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https://hal.archives-ouvertes.fr/hal-01406998
Contributor : Isabelle Frapart <>
Submitted on : Thursday, December 1, 2016 - 5:08:05 PM
Last modification on : Thursday, September 6, 2018 - 3:12:04 PM

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Marta Galanti, Duccio Fanelli, Sergey D. Traytak, Francesco Piazza. Theory of diffusion-influenced reactions in complex geometries. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (23), pp.15950 - 15954. ⟨10.1039/c6cp01147k⟩. ⟨hal-01406998⟩

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