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

Author

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  • Ignacio, M.
  • Slater, G.W.

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.

Suggested Citation

  • Ignacio, M. & Slater, G.W., 2022. "A Lattice Kinetic Monte Carlo method to study drug release from swelling porous delivery systems," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 603(C).
    • Handle: RePEc:eee:phsmap:v:603:y:2022:i:c:s0378437122005131
    DOI: 10.1016/j.physa.2022.127775
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    References listed on IDEAS

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    1. Casault, Sébastien & Slater, Gary W., 2008. "Systematic characterization of drug release profiles from finite-sized hydrogels," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 387(22), pages 5387-5402.
    2. Ignacio, Maxime & Chubynsky, Mykyta V. & Slater, Gary W., 2017. "Interpreting the Weibull fitting parameters for diffusion-controlled release data," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 486(C), pages 486-496.
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