Modélisation de la diffusion multi-composants dans un bain de corium diphasique oxyde-métal par une méthode d'interface diffuse

Abstract : This Ph.D. topic is focused on the modelling of stratification kinetics for an oxide-metal corium pool (U-O-Zr-steel system) in terms of multicomponent and multiphase diffusion. This work is part of a larger research effort for the development of a detailed corium pool modelling based on a CFD approach (“Computational Fluid Dynamics”) for thermal-hydraulics. The overall goal is to improve the understanding of the involved phenomena and obtain closure laws for integral macroscopic models.The phase-field method coupled with an energy functional using the CALPHAD method appears to be relevant for this purpose.In a first part, this works has been focused on the U-O binary system. We have developed a diffuse interface model (based on a Cahn-Hilliard equation) in order to describe the diffusion process in this system. This model has been coupled with a CALPHAD thermodynamic database and its parameterization has been developed with, in particular, an upscaling procedure related to the interface thickness.Then, within the framework of a modelling for the U-O-Zr ternary system, we have proposed a generalization of the diffuse interface model through an assumption of local equilibrium for redox mechanisms. A particular attention was paid to the model analysis by 1D numerical simulations with a special focus on the steady state composition profiles.Finally we have applied this model to the U-O-Zr-Fe system. For that purpose, we have considered a configuration close to small-scale experimental tests dedicated to the study of oxide-metal corium pool stratification.
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Clément Cardon. Modélisation de la diffusion multi-composants dans un bain de corium diphasique oxyde-métal par une méthode d'interface diffuse. Chimie-Physique [physics.chem-ph]. Université Paris-Saclay, 2016. Français. ⟨NNT : 2016SACLX096⟩. ⟨tel-01495502⟩

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