Simplified models of diffusion in radially-symmetric geometries

Luke P. Filippini, Matthew J. Simpson and Elliot J. Carr

Physica A: Statistical Mechanics and its Applications, 2023, vol. 626, issue C

Abstract: We consider diffusion-controlled release of particles from d-dimensional radially-symmetric geometries. A quantity commonly used to characterise such diffusive processes is the proportion of particles remaining within the geometry over time, denoted as P(t). The stochastic approach for computing P(t) is time-consuming and lacks analytical insight into key parameters while the continuum approach yields complicated expressions for P(t) that obscure the influence of key parameters and complicate the process of fitting experimental release data. In this work, to address these issues, we develop several simple surrogate models to approximate P(t) by matching moments with the continuum analogue of the stochastic diffusion model. Surrogate models are developed for homogeneous slab, circular, annular, spherical and spherical shell geometries with a constant particle movement probability and heterogeneous slab, circular, annular and spherical geometries, comprised of two concentric layers with different particle movement probabilities. Each model is easy to evaluate, agrees well with both stochastic and continuum calculations of P(t) and provides analytical insight into the key parameters of the diffusive transport system: dimension, diffusivity, geometry and boundary conditions.

Keywords: Diffusion-controlled release; Stochastic diffusion; Surrogate modelling; Moment matching; Heterogeneous geometry; Weighted exponential model (search for similar items in EconPapers)
Date: 2023
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:626:y:2023:i:c:s0378437123006222

DOI: 10.1016/j.physa.2023.129067

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