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Accurate models for the mixing of fuel and oxidizer at small, unresolved flow length scales are critical to the predictive skill of large eddy simulation (LES) of turbulent combustion. Subfilter scalar variance and subfilter scalar dissipation rate are important parameters in combustion modeling approaches based on a conserved scalar, but are prone to numerical and modeling errors due to the nature of practical LES computations. This work examines the errors incurred in these models using a novel method that couples LES scalar modeling with direct numerical simulation (DNS) of homogeneous isotropic turbulence and offers modeling and numerical techniques to address these errors. In the coupled DNS-LES method, DNS velocity fields are evolved simultaneously with LES scalar fields. The filtered DNS velocities are supplied to the LES scalar equations, instead of solving the LES momentum equations. This removes the effect of errors in the filtered scalar evolution from the scalar modeling analysis. Results obtained using the coupled DNS-LES approach, which permits detailed study of physics-related and numerical errors in scalar modeling, show that widely used algebraic dynamic models for subfilter scalar variance lack accuracy due to faulty equilibrium modeling assumptions and sensitivity to numerical error. Transport equation models for variance show superior performance, provided that the scalar dissipation rate model coefficient is set appropriately. For this purpose, a new dynamic approach for nonequilibrium modeling of subfilter scalar dissipation rate is developed and validated through a priori tests in an inhomogeneous jet flow and using the coupled DNS-LES method for assessment of numerical error effects. Explicit filtering is assessed as means to control numerical error in LES scalar modeling and the scalar equations are reformulated to account for the explicit filtering technique. Numerical convergence of the mean subfilter scalar variance prediction with increasing grid resolution is demonstrated. / text

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Dans le but d’améliorer le rendement des propulseurs aérospatiaux, on s’intéresse à l’utilisation de ladétonation dans le cycle moteur. Cette thèse porte sur le développement et l’utilisation d’un codepour la compréhension du fonctionnement d’un moteur à détonation continue (CDWE). Le 1erchapitre place le cadre de l’étude, et positionne le CDWE par rapport à différents concepts demoteurs à détonation. Un état des lieux des simulations numériques concernant le fonctionnementd’un CDWE est établi afin de justifier l’approche numérique à utiliser. Cette approche numérique estdétaillée dans le 2e chapitre. Les équations d’Euler, les modèles thermochimiques, ainsi que lesschémas cinétiques utilisés dans cette étude y sont présentés. Le 3e chapitre décrit les méthodesnumériques implémentées dans le code. Le schéma WENO d’ordre 5 est utilisé pour l’évaluation desflux numériques. L’avancement temporel est assuré par le schéma semi-implicite d’ordre 2 ASIRK2Cou explicite d’ordre 3 RK3. Le 4e chapitre est consacré à la technique de raffinement adaptatif demaillage (AMR) et à la bibliothèque choisie. Le code est testé dans le 5e chapitre sur différents cas etappliqué à la simulation d’une onde de détonation afin de préparer les simulations présentées dans ledernier chapitre. Le 6e chapitre présente les résultats des simulations d’un CDWE. La structure 2Dd’une onde de détonation continue est présentée et comparée avec la structure 3D. L’influence durayon de courbure du canal et l’effet d’une injection par une fente sur la structure de l’écoulementsont étudiés. / In order to improve the performance of aerospace propulsion systems, it is interesting to use detonation in the engine cycle. This thesis focuses on the development and use of a code for understanding the operation of a continuous detonation wave engine (CDWE). The first chapter establishes the framework of the study and compares the CDWE with different concepts of detonation engines. An overview of numerical simulations concerning the operation of a CDWE is made to justify the numerical approach to use. This numerical approach is detailed in the second chapter. The Euler equations, thermochemical models and kinetic mechanisms used in this study are presented. The third chapter describes the numerical methods implemented in the code. The 5th order WENO scheme is used for the evaluation of numerical fluxes. The time-stepping is provided by the 2nd order semi-implicit ASIRK2C scheme or the 3rd order explicit RK3 scheme. The fourth chapter describes the technique of adaptive mesh refinement (AMR) and the selected library. The code is tested in the fifth chapter on different cases and applied to the simulation of a detonation wave in order to prepare the simulations presented in the last chapter. The sixth chapter presents the results of simulations of a CDWE. The 2D structure of a continuous detonation wave is presented and compared with the 3D structure. The influence of the radius of the curvature of the duct and the effect of a slot injection on the structure of the flowfield are discussed.

Aquesta tesi centra els seus esforços en l'àmbit de la microfluídica, un camp relativament recent dins de la Mecànica de Fluids, amb un futur prometedor i amb un ritme d'investigació intens en les seves diferents especialitzacions. En aquest sentit, la tesi presenta dos aportacions científiques principals. Primer, aporta una eina numèrica d'elaboració pròpia per realitzar simulacions de fluxos reactius en microcanals. Eina que s'aplica satisfactòriament a la identificació dels principals processos de transport involucrats en la oxidació parcial del metà per a produir gas de síntesi, i a l'estudi de l'efecte que tenen alguns paràmetres d'operació en aquest procés reactiu. Segon, estén el coneixement dels fluxos multifàsics en microunions en T, estudiant experimentalment fluxos de dues fases amb fluids principalment miscibles i en condicions supercrítiques, que son portats al seu equilibri vapor-líquid. Durant aquest estudi, a més, reporta un succés inesperat que presenta futurs reptes en l'aplicació d'aquest tipus de fluxos multifàsics. / The present thesis focuses on microfluidics, a relatively recent field of Fluid Mechanics with promising expectations and with an intense scientific interest on its different areas. In this regard, the thesis aims to provide two main scientific contributions. First, it presents an in-house numerical tool to carry out simulations of reactive flows within microchannels. The tool is successfully applied to the identification of the main transport phenomena involved on the partial oxidation of methane to produce synthesis gas, and to the analysis of the effect of several operating parameters on this reactive process. Second, it extends the knowledge on multiphase flows in microfluidic T-junctions with an experimental study of two-phase flows of mixtures of potentially miscible fluids, in supercritical conditions and in vapour-liquid equilibrium. In this study it is also reported an unexpected phenomenon, which brings new challenges to the application of these kind of multiphase flows.

This paper presents an investigation of seven different flux splitting algorithms for the discretization of inviscid fluxes, which are the primary source for the non-linear behavior (eg. shocks, contact discontinuities). The aim of the present work is to enhance the accuracy and robustness of CHEM, a three-dimensional flow solver, which is capable of simulating a wide range of flow conditions, including chemical non-equilibrium. Five different test cases cases are considered and thoroughly analyzed. The overall goal is to find a numerical scheme that can meet some stringent specifications of efficiency, accuracy and robustness on the widest possible spectrum of flow conditions.