In this work, we deal with a mathematical model describing the dissolution process of irregularly shaped particles. In particular, we consider a complete dissolution model accounting for surface kinetics, convective diffusion, and relative velocity between fluid and dissolving particles, for three drugs with different solubility and wettability: theophylline, griseofulvin, and nimesulide. The possible subsequent recrystallization process in the bulk fluid is also considered. The governing differential equations are revisited in the context of the level-set method and Hamilton-Jacobi equations, then they are solved numerically. This choice allows us to deal with the simultaneous dissolution of hundreds of different polydisperse particles. We show the results of many computer simulations which investigate the impact of the particle size, shape, area/volume ratio, and the dependence of the interfacial mass transport coefficient on the surface curvature.

Dissolution of variable-in-shape drug particles via the level-set method / Cristiani, Emiliano; Grassi, Mario; Ignoto, Francesca L.; Pontrelli, Giuseppe. - In: APPLIED MATHEMATICAL MODELLING. - ISSN 0307-904X. - 142:(2025). [10.1016/j.apm.2025.115966]

Dissolution of variable-in-shape drug particles via the level-set method

Emiliano Cristiani;Francesca L. Ignoto;Giuseppe Pontrelli
2025

Abstract

In this work, we deal with a mathematical model describing the dissolution process of irregularly shaped particles. In particular, we consider a complete dissolution model accounting for surface kinetics, convective diffusion, and relative velocity between fluid and dissolving particles, for three drugs with different solubility and wettability: theophylline, griseofulvin, and nimesulide. The possible subsequent recrystallization process in the bulk fluid is also considered. The governing differential equations are revisited in the context of the level-set method and Hamilton-Jacobi equations, then they are solved numerically. This choice allows us to deal with the simultaneous dissolution of hundreds of different polydisperse particles. We show the results of many computer simulations which investigate the impact of the particle size, shape, area/volume ratio, and the dependence of the interfacial mass transport coefficient on the surface curvature.
2025
Drug dissolution; Hamilton-Jacobi equations; Level-set method; Mathematical modeling; Recrystallization; Solubility; Variable shape particles; Wettability
01 Pubblicazione su rivista::01a Articolo in rivista
Dissolution of variable-in-shape drug particles via the level-set method / Cristiani, Emiliano; Grassi, Mario; Ignoto, Francesca L.; Pontrelli, Giuseppe. - In: APPLIED MATHEMATICAL MODELLING. - ISSN 0307-904X. - 142:(2025). [10.1016/j.apm.2025.115966]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1750447
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