Cinétique hétérogène pour la combustion de l’aluminium

Abstract : The aim of this study is to evaluate the importance of the surface chemistry involved in aluminum particle combustion. During the burning, aluminum particles add more energy to the system and significantly increase the specific impulse of solid rocket motors. This work provides a surface chemistry section to the simulation of single particle combustion. Multi-scale modeling is employed for the building of a detailed heterogeneous mechanism solving the chemistry on an aluminum surface. Quantum chemistry calculations are performed in order to establish a valuable thermodynamic and kinetic database for the building of the surface mechanism. Different assumptions are made to build the surface mechanism. Preliminary tendencies from zero dimensional calculation are satisfying and consistent with some literature observations. A surface kinetic solver has been added to a CFD code (CPS) that enables the simulation of single particle combustion. The numerical results are directly compared with experimental results from the literature. Estimated burning times and alumina residue show a decent agreement with experimental measurements from the literature. The atmosphere composition and the decreasing size of the particles make the surface chemistry more important.
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Julien Glorian. Cinétique hétérogène pour la combustion de l’aluminium. Chimie théorique et/ou physique. ENSTA ParisTech, 2014. Français. ⟨tel-01144079⟩

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