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2025 Articolo in rivista open access

Numerical computation of generalized Wasserstein distances with applications to traffic model analysis

Generalized Wasserstein distances allow us to quantitatively compare two continuous or atomic mass distributions with equal or different total masses. In this paper, we propose four numerical methods for the approximation of three different generalized Wasserstein distances introduced in the past few years, giving some insights into their physical meaning. After that, we explore their usage in the context of a sensitivity analysis of differential models for traffic flow. The quantification of the models’ sensitivity is obtained by computing the generalized Wasserstein distances between two (numerical) solutions corresponding to different inputs, including different boundary conditions.

computational methods Generalized Wasserstein distance linear programming nonlinear programming sensitivity analysis traffic modeling Wasserstein distance
2025 Articolo in rivista open access

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

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.

Drug dissolution Hamilton-Jacobi equations Level-set method Mathematical modeling Recrystallization Solubility Variable shape particles Wettability