A Lattice Kinetic Monte Carlo method to study drug release from swelling porous delivery systems

M. Ignacio and G.W. Slater

Physica A: Statistical Mechanics and its Applications, 2022, vol. 603, issue C

Abstract: We develop a flexible Lattice Kinetic Monte Carlo (LKMC) algorithm that allows us to simulate drug release from swelling systems such as hydrogels. Our algorithm can be used for a wide range of problems as long as the interactions between the drug particles and the medium can be described by a local effective diffusivity. Considering a spherically symmetric swelling system, we test the efficiency and accuracy of our LKMC algorithm by comparing our simulation data to the analytical solution of the diffusion equation in the adiabatic limit.

Keywords: Kinetic Monte Carlo; Diffusion; Swelling; Mathematical modeling; Drug delivery systems (search for similar items in EconPapers)
Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:603:y:2022:i:c:s0378437122005131

DOI: 10.1016/j.physa.2022.127775

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