Diffusion in heterogeneous discs and spheres: new closed-form expressions for exit times and homogenization formulae

Abstract

Mathematical models of diffusive transport underpin our understanding of chemical, biochemical and biological transport phenomena. Analysis of such models often focusses on relatively simple geometries and deals with diffusion through highly idealised homogeneous media. In contrast, practical applications of diffusive transport theory inevitably involve dealing with more complicated geometries as well as dealing with heterogeneous media. One of the most fundamental properties of diffusive transport is the concept of mean particle lifetime or mean exit time, which are particular applications of the concept of first passage time, and provide the mean time required for a diffusing particle to reach an absorbing boundary. Most formal analysis of mean particle lifetime applies to relatively simple geometries, often with homogeneous (spatially-invariant) material properties. In this work, we present a general framework that provides exact mathematical insight into the mean particle lifetime, and higher moments of particle lifetime, for point particles diffusing in heterogeneous discs and spheres with radial symmetry. Our analysis applies to geometries with an arbitrary number and arrangement of distinct layers, where transport in each layer is characterised by a distinct diffusivity. We obtain exact closed-form expressions for the mean particle lifetime for a diffusing particle released at an arbitrary location and we generalise these results to give exact, closed-form expressions for any higher-order moment of particle lifetime for a range of different boundary conditions. Finally, using these results we construct new homogenization formulae that provide an accurate simplified description of diffusion through heterogeneous discs and spheres.

arXiv comment19 pages, 3 figures, accepted version of paper published in The Journal of Chemical Physics

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• Simplified models of diffusion in radially-symmetric geometries
• Mean exit time in irregularly-shaped annular and composite disc domains
• Enhancing search efficiency through diffusive echo