[pt] Dinâmica dos Fluidos Computacional (CFD) é frequentemente aplicada ao estudo da combustão, permitindo otimizar o processo e controlar a emissão de poluentes. Entretanto, reproduzir o comportamento observado nos sistemas de engenharia tem uma elevada carga computacional. Para superar este custo, técnicas de aprendizagem de máquinas, tais como modelos de ordem reduzida (ROM), têm sido aplicadas a várias aplicações de engenharia com o objetivo de criar modelos para sistemas complexos com custo computacional reduzido. Aqui, o ROM é criado usando dados de simulação de chama laminar não pré-misturada de CFD, decompondo-os, e depois aplicando um algoritmo de aprendizagem de máquinas, criando um ROM estático. Este trabalho analisa o efeito de cinco abordagens diferentes de pré-processamento de dados sobre o ROM, sendo estas: (1) as propriedades tratadas como um sistema desacoplado ou como um sistema acoplado, (2) sem normalização, (3) com temperatura e velocidade normalizadas, (4) todas as propriedades normalizadas, e (5) o logaritmo da espécie química. Para todos os ROM construídos são analisados a energia do processo de redução e a reconstrução dos campos das propriedades da chama. Em relação a análise da energia da redução, o ROM acoplado, exceto o ROM (4), e o ROM do logaritmo convergem rapidamente, semelhante ao ROM da temperatura desacoplado, enquanto o ROM da espécie química minoritária desacoplado exibe uma lenta convergência, tal como o ROM acoplado com todas as propriedades normalizadas. Assim, a aprendizagem é atingida com um número menor de modos para a ROM (2), (3) e (5). Quanto à reconstrução dos campos de propriedades, nota-se que existem regiões de fração mássica negativa, o que sugere que a metodologia do ROM não preserva a monotonicidade ou a delimitação das propriedades. A abordagem do logaritmo mostra que estes problemas são superados e reproduzem os dados originais. / [en] Computational fluid dynamics (CFD) is often applied to the study of combustion, enabling to optimize the process and control the emission of pollutants. However, reproducing the behavior observed in engineering systems has a high computational burden. To overcome this cost, machine learning techniques, such as reduced order models (ROM), have been applied to several engineering applications aiming to create models for complex systems with reduced computational cost. Here, the ROM is created using CFD laminar non premixed flame simulation data, decomposing it, and then applying a machine learning algorithm, creating a static ROM. This work analyzes the effect of five different data pre-processing approaches on the ROM, these being: (1) the properties treated as an uncoupled system or as a coupled system, (2) without normalization, (3) with temperature and velocity normalized, (4) all properties normalized, and (5) the logarithm of the chemical species. For all ROM constructed are analyzed the energy of the reduction process and the reconstruction of the flame properties fields. Regarding the reduction energy analysis, the coupled ROM, except the ROM (4), and the logarithm ROM converges faster, similarly to the uncoupled temperature ROM, whereas the uncoupled minor chemical species ROM exhibits a slower convergence, as does the coupled ROM with all properties normalized. So, the learning is achieved with a smaller number of modes for the ROM (2), (3) and (5). As for the reconstruction of the property fields, it is noted that there are regions of negative mass fraction, which suggest that the ROM methodology does not preserve the monocity or the boundedness of the properties. The logarithm approach shows that these problems are overcome and reproduce the original data.

[pt] O fenômeno de retorno de chama em tubos é conhecido e estudado há várias décadas. Sua análise clássica é baseada na determinação do gradiente de velocidade crítico, Gc, que o delimita como função das propriedades das misturas combustíveis. Entretanto, não é conhecido o efeito da diluição por CO2, importante para a previsão da segurança das instalações do pré-sal. Por isto, são aqui desenvolvidos estudos específicos do retorno de chamas pré-misturadas em escoamentos laminares. O objetivo geral deste trabalho é determinar experimentalmente a influência da diluição por CO2 sobre o retorno de chamas (flashback) em misturas de hidrocarbonetos (CH4 ou propano) e de ar. O levantamento do estado da arte permitiu especificar as características da instalação experimental para o estudo deste fenômeno e, também, identificar as principais questões a serem abordadas. Foi projetado e construído um aparato experimental para o estudo do flashback em escoamentos laminares. Os resultados originais obtidos mostram como a propensão ao retorno de chama é influenciada pela natureza do combustível, pela estequiometria da mistura e pela diluição. Misturas de propano possuem maior propensão ao flashback e maiores valores de Gc do que as de metano. Também foi mostrado que há uma redução da propensão ao flashback com o aumento da diluição. Esta propensão foi relacionada aos números adimensionais que caracterizam a combustão, isto é, os números de Lewis, Péclet, Karlovitz e Zel dovich. Para este último, uma proposta original visando sua determinação é apresentada, que envolve uma expressão da taxa de liberação de calor da reação química global controlada por uma variável de progresso. Esta formulação permite resolver o problema da singularidade na região da estequiometria. / [en] The flashback phenomenon in tubes has been known and studied for several decades. Its classical analysis is based on the determination of the critical velocity gradient, Gc, which delimits it as a function of the fuel mixture properties. However, the effect of the CO2 dilution is not known, which is important for predicting the safety of pre-salt facilities. For this reason, specific studies of premixed flame flashback in laminar flows are developed here. The general objective of this work is to experimentally determine the influence of CO2 dilution on flame flashback in mixtures of hydrocarbons (CH4 and propane) and air. The state of the art research made it possible to specify the characteristics of the experimental installation for this phenomenon study and, also, to identify the main issues to be addressed. An experimental apparatus was designed and built to study the flame flashback in laminar flows. The original results obtained show how the propensity of the flame flashback is influenced by the nature of the fuel, the stoichiometry of the mixture, and the dilution. Propane mixtures have a greater propensity for flashback and higher values of Gc than those of methane. It has also been shown that there is a reduction in the propensity of flashback with increasing dilution. This propensity was related to the dimensionless numbers that characterize combustion, that is, the Lewis, Péclet, Karlovitz, and Zel dovich numbers. For the latter, an original proposal aimed at its determination is presented, which involves an expression of the heat release rate from the global chemical reaction controlled by a progress variable.

Afin de pouvoir simuler la formation des principaux polluants au sein de foyers aéronautiques réalistes, un modèle de réduction de la chimie détaillée (FPI), basé sur la construction de tables à partir de calculs de flammes de prémélange laminaires élémentaires, est adapté et couplé au code d’aérothermochimie CEDRE de l’ONERA. Après une brève validation de ce modèle via la simulation de flammes laminaires canoniques, les interactions chimie/turbulence sont modélisées sous l’hypothèse des flammelettes, en approchant les PDF des paramètres d’entrée des tables par des fonctions beta. Cette approche complète est appliquée à la simulation numérique de l’écoulement au sein d’une configuration plus appliquée : la chambre PRECCINSTA. Ce cas bien connu a permis notamment l’évaluation des capacités du modèle dans un contexte plus industriel par comparaison des résultats de calcul aux données expérimentales disponibles. Il a en particulier permis de tester l’approche FPI étendue à la modélisation de la combustion partiellement prémélangée. Par ailleurs, l’utilisation d’un modèle de chimie réduite s’avère particulièrement appropriée pour prédire l’émission de substances polluantes, par exemple CO. Cependant, lorsque l’on considère la formation de NO, FPI ne peut pas être utilisé directement du fait de la lente dynamique chimique de cette espèce.Pour pallier à cette limitation, deux approches permettant de modéliser la production de NO au sein d’écoulements complexes sont proposées, fondées sur l’utilisation des tables chimiques FPI. Les capacités de ces modèles sont finalement analysées à l’aide de calculs effectués sur la configuration PRECCINSTA. / In order to simulate major pollutant formation inside realistic aeronautical combustion chambers, a detailed chemistry reduction technique (FPI), based on the construction of databases from elementary laminar premixed flame calculations, is adapted and coupled to the ONERA household CFD code : CEDRE. After a short validation of this model based on the numerical simulation of simplified laminar flames, the chemistry turbulence interactions are modeled under the laminar flamelet hypothesis, by assuming the shape of the FPI progress variable PDFs using beta functions. This comprehensive approach is then applied to the numerical simulation of the flow inside a realistic geometry :the PRECCINSTA combustion chamber. This well-known configuration has enabled the evaluation of the model’s abilities within an industrial framework using numerical/experimental results comparisons. It has especially allowed to test an extension of the model to partially premixed combution. Furthermore, the use of a tabulated chemistry model turns out to be particularly appropriate to predict pollutant species formation such as CO. However, when considering the formation of nitrogen oxides,FPI cannot be applied directly because of the slow dynamics of the chemical processes involved. Toovercome these limitations, two approaches allowing NO production modeling within complexe flowsare proposed, derived from the use of the tabulated data. The capacities of these models are finally analysed using computations performed on the PRECCINSTA chamber.

Le moteur HCCI pourrait être une alternative intéressante aux procédés de combustion conventionnels. Néanmoins, le contrôle de la combustion reste difficile dans ce moteur car, contrairement au moteur essence et Diesel, celui-ci est directement contrôlé par la chimie d’oxydation du combustible. Une connaissance très précise des modèles cinétiques détaillés de l’oxydation du carburant est donc indispensable pour pouvoir contrôler ce mode de combustion. L’objectif de cette thèse était de développer et valider expérimentalement des modèles cinétiques d’oxydation à haute température de 3 molécules modèles du gazole en utilisant un brûleur à flamme plate laminaire comme dispositif expérimental. Cette étude présente de nouveaux résultats expérimentaux obtenus sur une flamme laminaire pauvre pré mélangée de méthane ensemencée respectivement avec du n butylbenzène, du n propylcyclohexane et de l’indane. Un modèle cinétique d’oxydation a été développé et validé à haute température pour le n butylbenzène et un autre a été validé en flamme pour le n propylcyclohexane. Dans l’ensemble, ces modèles ont permis de simuler correctement les profils de la plupart des produits mesurés en flamme. Par ailleurs, un modèle cinétique qualitatif d’oxydation pour l’indane a été proposé / The HCCI engine could be an interesting alternative to conventional combustion processes. However, the control of the combustion remains difficult in this engine because, unlike the gasoline and diesel engine, it is directly related to the chemical oxidation of fuel. The development of accurate detailed kinetic models of the oxidation of fuel is therefore essential to control this mode of combustion. The aim of this PhD was to develop and experimentally validate high temperature kinetic oxidation models for 3 molecules representative of diesel fuel by using a flat flame burner experimental device. This study presents new experimental results obtained in a lean laminar premixed methane flame seeded respectively with n butylbenzene, n propylcyclohexane and indane. A kinetic oxidation model was developed and validated at high temperature for n-butylbenzene and another one was validated in flame for n propylcyclohexane. Overall, the models correctly simulated the profiles of most products measured in the flames. Moreover, a qualitative kinetic model for the oxidation of indane has been proposed

<p>Combustion instability, a complex phenomenon observed in combustion chambers is due to the coupling between heat release and other unsteady flow processes. Combustion instability has long been a topic of interest to rocket scientists and has been extensively investigated experimentally and computationally. However, to date, there is no computational tool that can accurately predict the combustion instabilities in full-size combustors because of the amount of computational power required to perform a high-fidelity simulation of a multi-element chamber. Hence, the focus is shifted to reduced fidelity computational tools which may accurately predict the instability by using the information available from the high-fidelity simulations or experiments of single or few-element combustors. One way of developing reduced fidelity computational tools involves using a reduced fidelity solver together with the flame transfer functions that carry important information about the flame behavior from a high-fidelity simulation or experiment to a reduced fidelity simulation.</p> <p> </p> <p>To date, research has been focused mainly on premixed flames and using acoustic solvers together with the global flame transfer functions that were obtained by integrating over a region. However, in the case of rockets, the flame is non-premixed and distributed in space and time. Further, the mixing of propellants is impacted by the level of flow fluctuations and can lead to non-uniform mean properties and hence, there is a need for reduced fidelity solver that can capture the gas dynamics, nonlinearities and steep-fronted waves accurately. Nonlinear Euler equations have all the required capabilities and are at the bottom of the list in terms of the computational cost among the solvers that can solve for mean flow and allow multi-dimensional modeling of combustion instabilities. Hence, in the current work, nonlinear Euler solver together with the spatially distributed local flame transfer functions that capture the coupling between flame, acoustics, and hydrodynamics is explored.</p> <p> </p> <p>In this thesis, the approach to extract flame transfer functions from high-fidelity simulations and their integration with nonlinear Euler solver is presented. The dynamic mode decomposition (DMD) was used to extract spatially distributed flame transfer function (FTF) from high fidelity simulation of a single element non-premixed flame. Once extracted, the FTF was integrated with nonlinear Euler equations as a fluctuating source term of the energy equation. The time-averaged species destruction rates from the high-fidelity simulation were used as the mean source terms of the species equations. Following a variable gain approach, the local species destruction rates were modified to account for local cell constituents and maintain correct mean conditions at every time step of the nonlinear Euler simulation. The proposed reduced fidelity model was verified using a Rijke tube test case and to further assess the capabilities of the proposed model it was applied to a single element model rocket combustor, the Continuously Variable Resonance Combustor (CVRC), that exhibited self-excited combustion instabilities that are on the order of 10% of the mean pressure. The results showed that the proposed model could reproduce the unsteady behavior of the CVRC predicted by the high-fidelity simulation reasonably well. The effects of control parameters such as the number of modes included in the FTF, the number of sampling points used in the Fourier transform of the unsteady heat release, and mesh size are also studied. The reduced fidelity model could reproduce the limit cycle amplitude within a few percent of the mean pressure. The successful constraints on the model include good spatial resolution and FTF with all modes up to at least one dominant frequency higher than the frequencies of interest. Furthermore, the reduced fidelity model reproduced consistent mode shapes and linear growth rates that reasonably matched the experimental observations, although the apparent ability to match growth rates needs to be better understood. However, the presence of significant heat release near a pressure node of a higher harmonic mode was found to be an issue. This issue was rectified by expanding the pressure node of the higher frequency mode. Analysis of two-dimensional effects and coupling between the local pressure and heat release fluctuations showed that it may be necessary to use two dimensional spatially distributed local FTFs for accurate prediction of combustion instabilities in high energy devices such as rocket combustors. Hybrid RANS/LES-FTF simulation of the CVRC revealed that it might be necessary to use Flame Describing Function (FDF) to capture the growth of pressure fluctuations to limit cycle when Navier-Stokes solver is used.</p> <p> </p> <p>The main objectives of this thesis are:</p> <p>1. Extraction of spatially distributed local flame transfer function from the high fidelity simulation using dynamic mode decomposition and its integration with nonlinear Euler solver</p> <p>2. Verification of the proposed approach and its application to the Continuously Variable Resonance Combustor (CVRC).</p> <p>3. Sensitivity analysis of the reduced fidelity model to control parameters such as the number of modes included in the FTF, the number of sampling points used in the Fourier transform of the unsteady heat release, and mesh size.</p> <p> </p> <p>The goal of this thesis is to contribute towards a reduced fidelity computational tool which can accurately predict the combustion instabilities in practical systems using flame transfer functions, by providing a path way for reduced fidelity multi-element simulation, and by defining the limitations associated with using flame transfer functions and nonlinear Euler equations for non-premixed flames.</p> <p> </p><br>

<div>Studies of turbulent combustion in the past mainly focus on problems with single-regime combustion. In practical combustion systems, however, combustion rarely occurs in a single regime, and different regimes of combustion can be observed in the same system. This creates a significant gap between our existing knowledge of combustion in single regime and the practical need in multi-regime combustion. In this work, we aim to extend the traditional single-regime combustion models to problems involving different regimes of combustion. Among the existing modeling methods, Transported Probability Density Function (PDF) method is attractive for its intrinsic closure of treating detailed chemical kinetics and has been demonstrated to be promising in predicting low-probability but practically important combustion events like local extinction and re-ignition. In this work, we focus on the model assessment and advancement of the Large Eddy Simulation (LES)/ PDF method in predicting turbulent multi-regime combustion.</div><div><br></div><div><div>Two combustion benchmark problems are considered for the model assessment. One is a recently designed turbulent piloted jet flame that features statistically transient processes, the Sydney turbulent pulsed piloted jet flame. A direct comparison of the predicted and measured time series of the axial velocity demonstrates a satisfactory prediction of the flow and turbulence fields of the pulsed jet flame by the employed LES/PDF modeling method. A comparison of the PLIF-OH images and the predicted OH mass fraction contours at a few selected times shows that the method captures the different combustion stages including healthy burning, significant extinction, and the re-establishment of healthy burning, in the statistically transient process. The temporal history of the conditional PDF of OH mass fraction/temperature at around stoichiometric conditions at different axial locations suggests that the method predicts the extinction and re-establishment timings accurately at upstream locations but less accurately at downstream locations with a delay of burning reestablishment. The other test case is a unified series of existing turbulent piloted flames. To facilitate model assessment across different combustion regimes, we develop a model validation framework by unifying several existing pilot stabilized turbulent jet flames in different combustion regimes. The characteristic similarity and difference of the employed piloted flames are examined, including the Sydney piloted flames L, B, and M, the Sandia piloted flames D, E, and F, a series of piloted premixed Bunsen flames, and the Sydney/Sandia inhomogeneous inlet piloted jet flames. Proper parameterization and a regime diagram are introduced to characterize the pilot stabilized flames covering non-premixed, partially premixed, and premixed flames. A preliminary model assessment is carried out to examine the simultaneous model performance of the LES/PDF method for the piloted jet flames across different combustion regimes.</div><div><br></div><div>With the assessment work in the above two test cases, it is found that the LES/PDF method can predict the statistically transient combustion and multi-regime combustion reasonably well but some modeling limitations are also identified. Thus, further model advancement is needed for the LES/PDF method. In this work, we focus on two model advancement studies related to the molecular diffusion and sub-filter scale mixing processes in turbulent combustion. The first study is to deal with differential molecular diffusion (DMD) among different species. The importance of theDMD effects on combustion has been found in many applications. However, in most previous combustion models equal molecular diffusivity is assumed. To incorporate the DMD effects accurately, we develop a model called Variance Consistent Mean Shift (VCMS) model. The second model advancement focuses on the sub-filter scale mixing in high-Karlovitz (Ka) number turbulent combustion. We analyze the DNS data of a Sandia high-Ka premixed jet flame to gain insights into the modeling of sub-filter scale mixing. A sub-filter scale mixing time scale is analyzed with respect to the filter size to examine the validity of a power-law scaling model for the mixing time scale.</div></div>

[pt] O presente trabalho apresenta um estudo numérico da transferência de energia por radiação e sua interação com as propriedades radiantes cinzas e espectrais dos gases produtos da combustão e da fuligem que são formados em um processo de combustão turbulenta. Assim, utilizam-se sistemas de forno/- queimador que operam em regime de chama não pré-misturada de maneira a avaliar, através da dinâmica dos fluidos computacional (CFD), a influência que exercem os diversos modelos de propriedades radiantes sobre a representação da termoquímica do escoamento reativo. Com o objetivo de identificar as principais características e deficiências que apresentam cada um destes modelos, foram considerados dois cenários. O primeiro, correspondente a um problema de radiação unidimensional de um sistema homogêneo e não isotérmico onde são estudados, modelos de propriedades radiantes (i) disponíveis em um software comercial de CFD e (ii) aqueles que foram implementados neste trabalho. Além disso, foi empregado um código numérico que determina as propriedades radiantes espectrais de gases produtos da combustão e da fuligem através de uma abordagem de banda estreita. Para este fim, este código foi acoplado com o software de CFD. Em seguida, dois queimadores de porte laboratorial são empregados de forma a avaliar a capacidade preditiva dos modelos de propriedades radiantes: o primeiro queima propano gasoso e ar enriquecido com oxigênio e o segundo utiliza querosene líquido e oxigênio como reagentes. Dados experimentais de fluxo de calor radiante e de fração volumétrica da fuligem são utilizados para comparação com os resultados obtidos da simulação. Para ambas as configurações de queimador foi também estudado o modelo de Moss-Brookes para previsão da formação/consumo da fuligem. Os resultados obtidos demonstraram o bom desempenho da maioria dos modelos de propriedades radiantes estudados. Em particular, a abordagem de banda estreita foi o que melhor previu a radiação térmica. Além disso, a sua utilização com o modelo de Moss-Brookes levou à melhor previsão da fração volumétrica da fuligem. / [en] This work presents a numerical study of radiation heat transfer and its interaction with gray and spectral radiation of combustion products and soot that are formed in a turbulent combustion process. Different burner/furnace systems operating in a non-premixed combustion regime were used in order to evaluate, through computational fluid dynamics (CFD), the influence of several radiant properties models. Aiming to identify the key features and shortcomings that exhibit each of these models, two scenarios were considered. The first corresponds to a 1-D radiation problem where radiative properties models of a homogeneous non isothermal system are studied as (i) available CFD commercial software and (ii) those implemented in this work. Moreover, a numerical code was used in order to determine, through a narrow band approach, the spectral radiative properties of soot and combustion products. For this purpose, this code was coupled with the CFD software. Then, two laboratory-scale burners are used to assess the predictive capacity of radiative properties models: the first, burning propane and enriched air oxygen, and the second uses kerosene and oxygen as reactants. Measurements of radiant heat flux and soot volumetric fraction are used for comparison with simulation results. For both configurations, the performance of the Moss-Brookes model for predicting the soot production was also studied. The results of this study demonstrated the good performance of the majority of the radiant properties models studied. Particularly, the narrow band approach was the model that provided the best thermal radiation prediction. Moreover, the combination of the narrow band approach with the Moss-Brookes model lead to the best prediction of soot volume fraction.

Le moteur essence à allumage par compression (GCI), reposant sur la combustion partiellement prémélangée de l'essence (GPPC), peut potentiellement assurer des opérations efficaces et propres. Le moteur GCI s'est avéré efficace à forte charge, mais l'indice d'octane élevé de l'essence limite considérablement les opérations à faible charge. Le présent travail étudie le potentiel de l'utilisation de l'ozone, fort agent oxydant, pour améliorer la réactivité de l'essence et permettre le fonctionnement à faible charge de GCI. L'ozone peut être produit on board en équipant le moteur d'un générateur d'ozone, sans impact dramatique sur le coût du moteur et sur la complexité du contrôle du moteur. Les essais effectués avec un moteur monocylindre ont montré que l'ozone favorise la combustion HCCI de l'essence, permettant d'étendre la limite d’auto-inflammation et de réduire la température minimale nécessaire de celle-ci. Les diagnostics optiques ont montré que ces propriétés sont liées à une prolifération radicale accrue, amenées par des réactions à basse température induites par l'ozone. En parallèle, le processus de combustion GCI a été étudié dans des conditions de faible charge. Sans ozone, la température d'admission doit être considérablement augmentée pour permettre l'auto-inflammationdes mélanges essence-air pauvres. De plus, les résultats indiquent que le monoxyde d’azote (NO) contenu dans les gaz brûlés résiduels peut, dans certaines conditions, favoriser fortement la combustion GCI. Ensuite,l'effet de l'ozone a été étudié dans des conditions d'injection directe GCI. Les résultats démontrent qu’une stratégie avec double injection est nécessaire pour maximiser l’effet promoteur de l’ozone et pour contrôler le processus de combustion GCI. Enfin, l'utilisation d’une forte concentration d’ozone a permis d’atteindre des opérations à faible charge en mode GCI, avec des faibles émissions de NOx et de suie, et cela, sans avoir besoin d'augmenter la température ou la pression d'admission. / Gasoline Compression Ignition (GCI) engine, relying on Gasoline Partially Premixed Combustion (GPPC) has potential for efficient and clean operations. GCI engine showed to be effective at high load, however, the highoctane number of gasoline dramatically limits low load operations. The present work investigates the potential of using ozone, a strong oxidizing agent, to improve gasoline reactivity and enabling low load GCI operation.Ozone can be produced in-situ and on-demand by equipping the engine with an ozone generator, without a dramatic impact on the engine cost and the engine control complexity. Experiments in a single cylinder engine showed that ozone promotes gasoline HCCI combustion, making possible to extend the lean limit and reducing the minimum temperature needed for autoignition. Optical diagnostics showed that these properties are related to an increased radical proliferation related to ozone-induced low temperature reactions. In parallel, GCI combustion process was investigated under low load conditions. Without ozone, the intake temperature should be considerable increased to enable auto ignition of lean gasoline-air mixtures. Moreover, results indicated that the NO contained into residual burnt gases can strongly promote GCI low load combustion. Finally, the effect of ozone was investigated under GCI direct-injection conditions, demonstrating that low load GCI operation with low NOx and Soot emission can be achieved by seeding the intake of the engine with ozone without needing of increasing the intake charge temperature or boosting the intake pressure.

La propagation de flammes turbulentes dans des milieux réactifs inhomogènes concerne un grand nombre d’applications pratiques, y compris celles qui reposent sur des cycles de combustion à volume constant. Les hétérogénéités de composition (richesse, température,dilution par des gaz brûlés, etc.) sont issues de plusieurs facteurs distincts tels que la dispersion du spray de gouttelettes de combustible et son évaporation, la topologie de l’écoulement ainsi que la présence éventuelle de gaz brûlés résiduels issus du cycle précédent. La structure des flammes partiellement prémélangées qui en résultent est significativement plus complexe que celles des flammes plus classiques de diffusion ou de prémélange. L’objectif de ce travail de thèse est donc de contribuer à l’amélioration de leur connaissance, en s’appuyant sur la génération et l’analyse de base de données de simulations numériques directes ou DNS (Direct Numerical Simulation). Celles-ci sont conduites avec le code de calcul Asphodele qui est basé sur l’approximation de faible nombre de Mach. Le combustible de référence retenu est l’iso-octane.La base de données est structurée suivant cinq paramètres qui permettent de caractériser l’écoulement turbulent ainsi que l’hétérogénéité de composition du milieu réactif. Dans un premier temps, des configurations bidimensionnelles ont été considérées en raison du coût élevé induit par la description détaillée de la cinétique chimique. L’étude des ces différents cas de calcul a permis de mettre en lumière plusieurs mécanismes fondamentaux de propagation dans les milieux hétérogènes en composition. Une réduction significative des coûts de calcula pu ensuite être obtenue grâce au développement d’un modèle chimique simplifié optimisé.Son utilisation a permis d’étendre les analyses à de / The propagation of turbulent flames in non-homogeneous reactive mixtures of reactants concerns a large number of practical applications, including those based on constant volume combustion cycles. The composition heterogeneities (equivalence ratio, temperature, dilution by burnt gases, etc.) result from several distinct factors such as the dispersion of the spray of fuel droplets and its evaporation, the flow field topology as well as the possible presence of residual burnt gases issued from the previous cycle. The resulting partially premixed flames structure is significantly more complex than the one of more conventional diffusion or premixed flames.The aim of this thesis work is therefore to contribute to the improvement of their understanding, by proceeding to the generation and analysis of a new set of direct numerical simulations (DNS) databases. The present computations are performed with the low-Mach number DNS solver Asphodele. The database is structured according to five parameters that characterize the turbulent flow as well as the composition heterogeneity of the reactive mixture. First, because of the high numerical costs induced by the detailed description of chemical kinetics, two-dimensional configurations were considered. The study of these various simulations highlights several fundamental mechanisms of flame propagation in heterogeneous mixtures. Then, a significant computational cost saving has been achieved through the development of an optimized simplified chemistry model. The use of the latter allowed to overcome the major bottleneck of high CPU costs related to chemical kinetics description and thus to extend the analysis to three-dimensional configurations. Some of the conclusions obtained previously were reinforced.

Le risque d’explosion des mélanges H2/air revêt toujours une importance cruciale pour la gestion des accidents graves dans les centrales nucléaires. Des critères expérimentaux ont été proposés dans les années 2000 par Dorofeev et al. afin de déterminer les conditions nécessaires à l’accélération de flamme et à la TDD. Ce travail de thèse a l’objectif de mieux comprendre les mécanismes d’accélération des flammes de prémélange H2/air et de fournir une solide base de données expérimentales pour la validation des codes utilisés pour les études de sûreté. Les expériences ont été menées dans un tube muni d’obstacles (taux de blocage entre 0.3 et 0.6) avec un diamètre interne de 12 cm et une longueur d’environ 5 m. Les effets de la pression initiale et de la dilution en azote sur des mélanges pauvres en H2 ont été étudiés. Les résultats montrent que la pression favorise l’accélération seulement pour les mélanges les plus réactifs et que la surpression induite par la combustion est directement proportionnelle à la pression initiale. Les interactions flamme-choc ainsi que les instabilités thermo-diffusives jouent un rôle important sur la propagation de flamme. Une nouvelle technique a été développée dans le but d’obtenir une représentation plus fine du profil de vitesse de flamme. Des mesures d’absorption IR résolues dans le temps ont été effectuées en dopant le mélange avec un alcane. Le profil de vitesse a été obtenu en mesurant la variation d’extension du gaz frais pendant l’avancement de la flamme. Enfin, des analyses préliminaires ont été menées pour la conception d’un nouveau dispositif expérimental pour l’étude des effets de la combustion sur des structures en acier inox. / Flame acceleration and explosion of hydrogen/air mixtures remain key issues for severe accident management in nuclear power plants. Empirical criteria were developed in the early 2000s by Dorofeev and colleagues providing effective tools to discern possible FA or DDT scenarios. The objectives of the present work are to better understand the mechanisms of acceleration for premixed H2/air flames and to provide a solid base of experimental data for the validation of the codes used for safety analyses. The experiments were performed in an obstacles-laden tube (blockage ratio between 0.3 and 0.6) with 120 mm internal diameter and about 5 m length. The effects of the initial pressure and the nitrogen dilution on lean H2 mixtures have been studied. The results show that pressure promote flame acceleration only for highly reactive mixtures. Moreover, the overpressure induced by the combustion is directly proportional to the initial pressure. Besides, flame-shock interactions and thermo-diffusive instabilities play an important role in flame acceleration. A new technique to track the flame position along the tube has been developed in order to obtain a finer representation of the flame velocity profile. The method consists in performing time-resolved IR absorption measurements by doping the mixture with an alkane. The velocity profile is then derivedby measuring the variation of the extension in depth of the unburnt gas along the tube axis. Finally, analyses on the effects of combustion generated loads on stainless steel structures were performed in order to provide preliminary results for the design of a new experimental device.