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Dynamique microscopique et propriétés macroscopiques de systèmes réactifs structurés : fronts d'onde chimiques exothermiques et prise du plâtre

Abstract : The fi rst part of this thesis is devoted to the study of the one-dimensional propagation of exothermic chemical wave fronts at different scales. In a macroscopic approach, the heat released by the reaction couples together the convection-reaction-diffusion equation and the hydrodynamics equations. This work exhibits a transition between a propagation regime which is mainly determined by the chemical reaction for small heat release and a propagation regime mainly determined by the fluid equation of state and hydrodynamics equations for larger heat release. Such a bifurcation is exemplifi ed on a perfect gas and a van der Waals fl uid. These results are con firmed by a microscopic simulation of particle dynamics using the Direct Simulation Monte Carlo (DSMC) method for a dilute gas. In a second part are devised a crystallization model for gypsum needles from calcium sulfate hemihydrate grains as well as a simulation algorithm of plaster setting at a submicrometric scale. This last approach is compared with a deterministic description and a stochastic approach through a master equation. The effects of a confidential industrial treatment on the kinetics and morphology of the resulting material are satisfactorily explained thanks to the definition of physically meaningful fitting parameters.
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Contributor : Guillaume Dumazer <>
Submitted on : Saturday, October 1, 2011 - 4:14:06 PM
Last modification on : Tuesday, December 8, 2020 - 3:34:24 AM
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  • HAL Id : tel-00628301, version 1

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Guillaume Dumazer. Dynamique microscopique et propriétés macroscopiques de systèmes réactifs structurés : fronts d'onde chimiques exothermiques et prise du plâtre. Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Pierre et Marie Curie - Paris VI, 2010. Français. ⟨tel-00628301⟩

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