A lattice Boltzmann numerical approach for modelling reaction-diffusion processes in chemically and physically heterogeneous environments

Cette these propose une nouvelle methode numerique de solution des problemes de reaction-diffusion dans les milieux environnementaux. Le modele developpe considere deux processus de base: la diffusion et la reaction chimique. Le probleme general etudie reside dans le fait qu'un tres grand nombre d'equation de reactions-diffusion doit etre traite pour un meme metal M, dans une solution chimique qui contient un grand nombre de ligands et de complexes. En particulier, l'objectif specifique est de calculer le flux du metal M sur une surface ou il est consomme, tels que les sensors bioanalogiques et les micro-organismes, et d'etudier l'impact des differents complexes formes sur le flux de metal aux interfaces, dans les systemes environnementaux. Cette these propose deux codes numeriques pour calculer le flux de M: 1) MHEDYN: dans des systemes chimiquement heterogenes; 2) BIODYN: en presence d'un ligand L dans des modeles de biofilms en 3D (systeme physiquement heterogene).

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