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A peridynamic model for advection-reaction-diffusion problems
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DOI：10.1016/j.cma.2023.116206.png)
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Abstract
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In this paper, a bond-based peridynamic (PD) advection-reaction-diffusion model is formulated to simulate processes involving chemical reactions, flows, and diffusion. In the formulation, the reaction rate, represented by a body force-like local term, depends on the local concentrations of the reactants, and the dependence varies according to the reaction type. Both linear and nonlinear dependencies are considered. A system of coupled PD equations for each substance is solved numerically. We verify and validate the PD advection-reaction-diffusion model by comparing results with those from a corresponding classical model and from experiments in both 1D and 2D, for a bimolecular reaction (A+B & RARR; AB) in a flowing aqueous environment, similar to purifying polluted water flowing in a channel, via chemical reactions. The model is also used to simulate bimolecular advection-reaction-diffusion in heterogeneous media with impermeable inclusions, and to simulate polymer degradation through hydrolysis and diffusion, similar to how biodegradable polymer implants dissolve.& COPY; 2023 Elsevier B.V. All rights reserved.
Keywords:
Peridynamics
Reaction-diffusion
Bimolecular reaction
Hydrolysis
Water pollution
Simulation
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