Diffusion of Sulfapyridine in Agarose Hydrogel: Comparison Between Experiment and Simulation

Diffusion of Sulfapyridine in Agarose Hydrogel: Comparison Between Experiment and Simulation

Abstract

This work focuses on the comparison of a numerical model and experimental data describing the diffusion of a drug, sulfapyridine, in an agarose hydrogel, which serves as a model porous medium. The aim is to verify whether numerical simulation can accurately represent the transport behavior of the compound under diffusion-controlled conditions. The model is based on a diffusion pair experimental setup consisting of a donor and an acceptor cuvette. The donor cuvette contained the drug solution, while the acceptor was filled with pure hydrogel. Agarose hydrogels were selected for their optical clarity, mechanical stability, and reproducibility. The numerical model was developed in COMSOL Multiphysics using the Transport of Diluted Species interface. The simulation described a purely diffusive process without convection, with geometry and boundary conditions corresponding to the actual experimental configuration. The model was calibrated to isolate the diffusive component of mass transport. The results showed good agreement between simulation and experimental data, confirming the suitability of numerical modeling for studying transport phenomena in porous systems. This modeling approach provides a solid basis for future extensions incorporating interaction mechanisms such as sorption or complexation.

This work focuses on the comparison of a numerical model and experimental data describing the diffusion of a drug, sulfapyridine, in an agarose hydrogel, which serves as a model porous medium. The aim is to verify whether numerical simulation can accurately represent the transport behavior of the compound under diffusion-controlled conditions. The model is based on a diffusion pair experimental setup consisting of a donor and an acceptor cuvette. The donor cuvette contained the drug solution, while the acceptor was filled with pure hydrogel. Agarose hydrogels were selected for their optical clarity, mechanical stability, and reproducibility. The numerical model was developed in COMSOL Multiphysics using the Transport of Diluted Species interface. The simulation described a purely diffusive process without convection, with geometry and boundary conditions corresponding to the actual experimental configuration. The model was calibrated to isolate the diffusive component of mass transport. The results showed good agreement between simulation and experimental data, confirming the suitability of numerical modeling for studying transport phenomena in porous systems. This modeling approach provides a solid basis for future extensions incorporating interaction mechanisms such as sorption or complexation.

15.10.2025

Moravapress s.r.o.

Ostrava, Czech Republic

978-80-88365-28-0

NANOCON 2025 - Abstracts

115

115

154

https://www.nanocon.eu/cz/sbornik-abstraktu/

NANOCON_2025_Abstracts