Pas de résumé / Fluidized beds are a particular hydrodynamic configuration in which a pack (either dense or loose) of particles laid inside a container is re-suspended as a result of an upward oriented imposed flow at the bottom of the pack. This kind of system is widely used in the chemical engineering industry where catalytic cracking or polymerization processes involve chemical reactions between the catalyst particles and the surrounding fluid and fluidizing the bed is admittedly beneficial to the efficiency of the process. Due to the wide range of spatial scales and complex features of solid/solid and solid/fluid interactions in a dense fluidized bed, the system can be studied at different length scales, namely micro, meso and macro. In this work we focus on micro/meso simulations of fluidized beds. The workflow we use is based on home made high-fidelity numerical tools: GRAINS3D (Pow. Tech., 224:374-389, 2012) for granular dynamics of convex particles and PeliGRIFF (Parallel Efficient LIbrary for GRains In Fluid Flows, Comp. Fluids, 38(8):1608-1628,2009) for reactive fluid/solid flows. The objectives of our micro/meso simulations of such systems are two-fold: (i) to understand the multi-scale features of the system from a hydrodynamic standpoint and (ii) to analyze the performance of our meso-scale numerical model and to improve it accordingly. To this end, we first perform Particle Resolved Simulations (PRS) of liquid/solid and gas/solid fluidization of a 2000 particle system. The accuracy of the numerical results is examined by assessing the space convergence of the computed solution in order to guarantee that our PRS results can be reliably considered as a reference solution for this problem. The computational challenge for our PRS is a combination of a fine mesh to properly resolve all flow length scales to a long enough physical simulation time in order to extract time converged statistics. For that task, High Performance Computing and highly parallel codes as GRAINS3D/PeliGRIFF are extremely helpful. Second, we carry out a detailed cross-comparison of PRS results with those of locally averaged Euler- Lagrange simulations. Results show an acceptable agreement between the micro- and meso-scale predictions on the integral measures as pressure drop, bed height, etc. However, particles fluctuations are remarkably underpredicted by the meso-scale model, especially in the direction transverse to the main flow. We explore different directions in the improvement of the meso-scale model, such as (a) improving the inter-phase coupling scheme and (b) introducing a stochastic formulation for the drag law derived from the PRS results. We show that both improvements (a) and (b) are required to yield a satisfactory match of meso-scale results with PRS results. The new stochastic drag law, which incorporates information on the first and second-order moments of the PRS results, shows promises to recover the appropriate level of particles fluctuations. It now deserves to be validated on a wider range of flow regimes.

Émissions polluantes, les motoristes souhaitent contrôler au mieux l’atomisation du carburant, injecté généralement sous forme de jets ou de nappes liquides. Les essais étant long et coûteux, leur remplacement par un outil numérique capable de simuler le processus d’atomisation permettrait non seulement une réduction des coûts importante mais faciliterait également la phase de conception. Toutefois, en raison du caractère multi-échelle du phénomène, il est difficile de le décrire dans son ensemble avec les approches habituellement utilisées en mécanique des fluides numérique.L’objectif de cette thèse est de concevoir une nouvelle approche qui permettra à terme de simuler l’atomisation pour une configuration industrielle complète. Celle-ci consiste à coupler deux types de modèles. Le premier, dit modèle bifluide, est un modèle à deux fluides compressibles basé sur les équations de Navier-Stokes diphasiques. Celui-ci permet de décrire les grandes échelles du phénomène d’atomisation correspondant à la formation de ligaments et d’amas liquides dans la zone proche de l’injecteur. Le second, dit modèle de spray, est basé sur une équation cinétique. Dans la zone située en aval de l’injecteur, ce dernier permet de décrire de manière statistique l’évolution du brouillard de gouttelettes issues de la fragmentation primaire du jet de carburant. Le point délicat, à la fois sur le plan de la modélisation et sur celui de l’algorithmique, réside dans le couplage des deux modèles. Celui ci a été réalisé grâce à l’introduction de deux modèles auxiliaires permettant de traiter le transfert de liquide entre le modèle bifluide et le modèle de spray par atomisation ou ré-impact.L’approche proposée a été appliquée à la simulation numérique de nappes liquides cisaillées. Les comparaisons entre les résultats numériques et des résultats expérimentaux montrent que le modèle bifluide permet de prévoir l’influence de la géométrie et des conditions d’injection sur l’atomisation primaire de la nappe liquide. Le modèle d’atomisation permet quant à lui, de reproduire le caractère instationnaire des mécanismes de production de gouttes lors du transfert de la phase liquide depuis le modèle bifluide vers celui de spray. Des cas de ré-impact valident également la robustesse et la généralité de la méthodologie de couplage. / In order to improve efficiency of aircraft combustion chambers and reduce polluting emissions,engine manufacturers try to achieve a better control on fuel atomization, which is usually injectedas a jet or liquid sheet. As experiments are expensive and time consuming, a numerical tool able to simulate atomization would be a powerful asset in engine conception design. However, simulation ofthe whole atomization process with commonly used approach in computational fluid dynamics is still prohibitive due to the multi-scale nature of the phenomenon.The objective of this thesis is to develop a new approach allowing the simulation of the spray formation for a industrial configuration in the near future. This involves coupling of two types of models.The first one, called two-fluid model, is based on the Navier-Stokes equations for two immiscible compressible fluids. This one is used to describe the large scales of the atomization mechanism corresponding to the formation of ligaments and liquids blobs in the near-injector area. The second one,called spray model, is based on a kinetic equation. Further downstream from the injector, this model describes statistically the evolution of the droplet cloud produced by the primary fragmentation of liquid jet. The main difficulty, in terms of both modeling and algorithmic, is the coupling of these twomodels.This has been achieved by introducing an atomization and an impact models which ensure liquid transfer between the two-fluid model and the spray model.This new approach was applied to the numerical simulation of sheared liquid sheets. Comparisons between numerical and experimental results show how the two-fluid model predicts the influence of injector geometry and injection conditions on the primary atomization of the liquid sheet. Concerning droplets production, the atomization model is able to reproduce the unsteady nature of this mechanism when transferring liquid phase from the two-fluid model to the spray model. Test cases for the impact model also validate the robustness and generality of the coupling approach.