Increased knowledge into the physics and chemistrycontrolling emissions from flame-surface interactions shouldhelp in the design of combustion engines featuring improvedfuel economy and reduced emissions. The overall aim of this work has been to obtain afundamental understanding of wall-related, premixed combustionusing numerical modeling with detailed chemical kinetics. Thiswork has utilized CHEMKIN®, one of the leading softwarepackages for modeling combustion kinetics. The simple fuels hydrogen and methane as well as the morecomplex fuels propane and gasified biomass have been used inthe model. The main emphasis has been on lean combustion, andthe principal flow field studied is a laminar boundary layerflow in two-dimensional channels. The assumption has been madethat the wall effects may at least in principle be the same forlaminar and turbulent flames. Different flame geometries have been investigated, includingfor example autoignition flames (Papers I and II) and premixedflame fronts propagating toward a wall (Papers III and IV).Analysis of the results has shown that the wall effects arisingdue to the surface chemistry are strongly affected by changesin flame geometry. When a wall material promoting catalyticcombustion (Pt) is used, the homogeneous reactions in theboundary layer are inhibited (Papers I, II and IV). This isexplained by a process whereby water produced by catalyticcombustion increases the rate of the third-body recombinationreaction: H+O2+M ⇔ HO2+M. In addition, the water produced at higherpressures increases the rate of the 2CH3(+M) ⇔ C2H6(+M) reaction, giving rise to increased unburnedhydrocarbon emissions (Paper IV). The thermal coupling between the flame and the wall (theheat transfer and development of the boundary layers) issignificant in lean combustion. This leads to a sloweroxidation rate of the fuel than of the intermediatehydrocarbons (Paper III). Finally in Paper V, a well-known problem in the combustionof gasified biomass has been addressed, being the formation offuel-NOx due to the presence of NH3 in the biogas. A hybridcatalytic gas-turbine combustor has been designed, which cansignificantly reduce fuel-NOx formation. Keywords:wall effects, premixed flames, flamequenching, numerical modeling, CHEMKIN, boundarylayerapproximation, gasified biomass, fuel-NOx, hybrid catalytic combustor. / QC 20100504

Post-Cold War military conflicts have highlighted the need for a flexible, agile joint force responsive to emerging crises around the globe. The 2005 Joint Capabilities Integration and Development System (JCIDS) acquisition policy document mandates a shift away from stove-piped threat-based acquisition to a capability-based model focused on the multiple ways and means of achieving an effect. This shift requires a greater emphasis on scenarios, tactics, and operational concepts during the conceptual phase of design and structured processes for technology evaluation to support this transition are lacking. In this work, a methodology for quantitative technology evaluation for systems-of-systems is defined. Physics-based models of an aircraft system are exercised within a hierarchical, object-oriented constructive simulation to quantify technology potential in the context of a relevant scenario. A major technical challenge to this approach is the lack of resources to support real-time human-in-the-loop tactical decision making and technology analysis. An approach that uses intelligent agents to create a "Meta-General" capable of forecasting strategic and tactical decisions based on technology inputs is used. To demonstrate the synergy between new technologies and tactics, surrogate models are utilized to provide intelligence to individual agents within the framework and develop a set of tactics that appropriately exploit new technologies. To address the long run-times associated with constructive military simulations, neural network surrogate models are implemented around the forecasting environment to enable rapid trade studies. Probabilistic techniques are used to quantify uncertainty and richly populate the design space with technology-infused alternatives. Since a large amount of data is produced in the analysis of systems-of-systems, dynamic, interactive visualization techniques are used to enable "what-if" games on assumptions, systems, technologies, tactics, and evolving threats. The methodology developed in this dissertation is applied to a notional Long Range Strike air vehicle and system architecture in the context of quantitative technology evaluation for the United States Air Force.

Η ολοένα αυξανόμενη ανάγκη για γρήγορες, αξιόπιστες και εύκολες στην χρήση αναλυτικές τεχνικές, οι οποίες μπορούν να χρησιμοποιηθούν εντός και εκτός εργαστηρίου, έδωσε ιδιαίτερη ώθηση για ανάπτυξη τεχνικών που να πληρούν τις παραπάνω προϋποθέσεις. Η Φασματοσκοπία Πλάσματος Επαγόμενου από laser (Laser-Induced Breakdown Spectroscopy-LIBS), λόγω των σημαντικών της πλεονεκτημάτων, έχει προταθεί ως μια τεχνική για στοιχειακή ανάλυση υλικών, ανεξαρτήτως της κατάστασής τους (στερεή, υγρή ή αέρια). Κατά την τεχνική LIBS, η ατομοποίηση και η διέγερση των ατόμων του υλικού γίνεται σε ένα στάδιο, ενώ δεν απαιτείται προετοιμασία του δείγματος. Έτσι, τα τελευταία χρόνια η τεχνική LIBS είναι η πιο διαδεδομένη αναλυτική τεχνική βασισμένη στα laser. Στην παρούσα διδακτορική διατριβή η τεχνική LIBS εφαρμόζεται σε δυο διαφορετικά πεδία έρευνας: στις φλόγες υδρογονανθράκων-αέρα και στην μελέτη πολυμερικών/πλαστικών δειγμάτων. Στις φλόγες υδρογονανθράκων-αέρα, η φασματοσκοπία πλάσματος επαγόμενου από laser χρησιμοποιήθηκε για τον καθορισμό του λόγου ισοδυναμίας (φ), ο οποίος εκφράζει την αναλογία καύσιμου προς οξειδωτικό μέσο, σε φλόγες αέριων και υγρών υδρογονανθράκων μέσω των λόγων των εντάσεων των φασματικών γραμμών του υδρογόνου, H, οξυγόνου, O, και άνθρακα, C. Μέσω αυτής της συσχέτισης, πραγματοποιήθηκαν χωρικά αναλυμένες μετρήσεις του φ σε προ-αναμεμιγμένες φλόγες υδρογονανθράκων-αέρα διαφορετικής γεωμετρίας, οι οποίες παρείχαν σημαντικές πληροφορίες για την δομή της φλόγας. Επιπλέον, η τεχνική LIBS χρησιμοποιήθηκε για την ανίχνευση υδρατμών στον αέρα και σε φλόγες υδρογονανθράκων-αέρα και έγινε φανερό πως οι υδρατμοί προκαλούν σημαντικές αλλαγές στην δομή και τα χαρακτηριστικά της φλόγας, ενώ μέσω των φασματικών γραμμών του υδρογόνου, H, οξυγόνου, O, και αζώτου, Ν, οι υδρατμοί μπορούν να καθοριστούν ποιοτικά. Σε ότι αφορά τα πολυμερικά/πλαστικά δείγματα, η τεχνική LIBS μπορεί να αποτελέσει μια σημαντική μέθοδο για την ταυτοποίηση πολυμερικών δειγμάτων, οπότε στην συνέχεια, έγινε μελέτη των χαρακτηριστικών του πλάσματος που δημιουργείται κατά την ακτινοβόληση πολυμερικών/πλαστικών δειγμάτων και πως αυτά επηρεάζονται από τις ιδιότητες της δέσμης laser καθώς και από το περιβάλλον. / The continuously increasing needs for fast, reliable and easy to use analytical techniques operating remotely and in situ, under laboratory and/or field conditions have boosted considerable research efforts towards the development of novel analytical techniques satisfying these requirements. In that view, Laser-Induced Breakdown Spectroscopy (LIBS) has been proposed as an efficient tool for elemental analysis of various types of samples exhibiting several attractive advantages. LIBS is a laser based spectroscopic technique which permits the simultaneous atomization and excitation of the sample in one step, without requiring any sample preparation. In addition, LIBS operates successfully with all kinds of samples while the results are obtained within few seconds. Because of these advantages and its attractive simplicity, LIBS has become rapidly the most popular laser based analytical technique. In this work, LIBS is used in two different fields: the study of combustible hydrocarbon-air mixtures and the study of the created plasma in polymeric samples. In hydrocarbon –air flames, LIBS was applied for the determination of the local equivalence ratio in different hydrocarbon (gaseous and liquid) -air mixtures. In particular, it is shown that the ratio of the intensities of atomic spectral lines of H, C and O, emitted from a laser induced spark in the gaseous mixture, can be used for the rapid and accurate determination of the local equivalence ratio. There are also obtained spatially resolved equivalence ratio profiles in laminar premixed flames of different geometries (Bunsen type and impinging flames), which are used in order to reveal and quantify important flame structure features. Additionally, it is shown that LIBS can be used for the detection of humidity in air and in hydrocarbon-air flames. The results obtained showed that humidity causes significant changes in flame characteristics, and through the atomic spectral lines of H, N and O, humidity can be qualitatively be determined. In polymeric samples, LIBS technique is used for the identification of polymers and plastics for recycling purposes. Due to the importance of this application, the properties of the plasma created are extensively studied. It is shown that plasma generation and expansion is effected by the laser properties (laser energy, laser pulse) and by the environmental conditions (pressure).

With strict environmental regulations, gas turbine emissions have been heavily constrained. This requires operating conditions wherein thermo-acoustic flame instabilities are prevalent. During this process the combustor acoustics and combustion heat release fluctuations are coupled and can cause severe structural damage to engine components, reduced operability, and inefficiency that eventually increase emissions. In order to develop an engine without these problems, there needs to be a better understanding of the physics behind the coupling mechanisms of this instability. Among the several coupling mechanisms, the “velocity coupling” process is the main focus of this thesis. The majority of literature has treated axisymmetric disturbance fields which are typical of longitudinal acoustic forcing and axisymmetric excitation of ring vortices. Two important non-axisymmetric disturbances are: (1) transverse acoustics, in the case of circumferential modes of a multi-nozzle annular combustor and (2) helical flow disturbances, seen in the case of swirling flow hydrodynamic instabilities. With significantly less analytical treatment of this non-axisymmetric problem, a general framework is developed for three-dimensional swirl-stabilized flame response to non-axisymmetric disturbances. The dynamics are tracked using a level-set based G-equation applicable to infinitely thin flame sheets. For specific assumptions in a linear framework, general solution characteristics are obtained. The results are presented separately for axisymmetric and non-axisymmetric mean flames. The unsteady heat release process leads to an unsteady volume generation at the flame front due to the expansion of gases. This unsteady volume generation leads to sound generation by the flame as a distributed monopole source. A sound generation model is developed where ambient pressure fluctuations are generated by this distributed fluctuating heat release source on the flame surface. The flame response framework is used to provide this local heat release source input. This study has been specifically performed for the helical flow disturbance cases to illustrate the effects different modes have on the generated sound. Results show that the effects on global heat release and sound generation are significantly different. Finally, the prediction from the analytical models is compared with experimental data. First, a two-dimensional bluff-body stabilized flame experiment is used to obtain measurements of both the flow and flame position in time. This enables a local flame response comparison since the data are spatially resolved along the flame. Next, a three-dimensional swirl-stabilized lifted flame experiment is considered. The measured flow data is used as input to the G-equation model and the global flame response is predicted. This is then compared with the corresponding value obtained using global CH* chemilumenescence measurements.

Simulações acopladas do escoamento reativo e dos processos de transferência de calor para o estudo de chamas são problemas dispendiosos computacionalmente. A transferência de calor por radiação em processos de combustão, devido às elevadas temperaturas, é o processo de troca energética dominante. Ainda, o comportamento altamente irregular do coeficiente de absorção com o comprimento de onda se constitui em uma dificuldade adicional na modelagem da transferência radiativa em meios participantes. Para contornar essa dificuldade modelos espectrais foram desenvolvidos com o objetivo de simular o comportamento de um gás real. Dentre esses modelos destacam-se o gás cinza (GG: Gray Gas), o mais simples, que negligencia o comportamento espectral do coeficiente de absorção, e o modelo da soma-ponderada-de-gases-cinza (WSGG: Weighted-Sum-of-Gray-Gases) onde a integração sobre todo o espectro é substituída por um número finito de gases cinza. Com o avanço de ferramentas computacionais, principalmente códigos CFD (Computational Fluid Dynamics), abordagens computacionais se tornaram atrativas frente ou em complemento às abordagens experimentais. Desse modo, o presente trabalho tem por objetivo a aplicação dos modelos WSGG e GG com novas correlações na simulação detalhada de chamas difusivas laminares de metano diluído com dióxido de carbono e nitrogênio com o código CFD comercial ANSYS/Fluent. Foram desenvolvidas rotinas de usuário (UDF: User-Defined Functions) para o acoplamento dos modelos espectrais ao código CFD. A verificação das rotinas de usuário foi realizada comparando os resultados obtidos via simulação Fluent com dados obtidos pelo modelo WSGG com um código FORTRAN próprio desenvolvido pelo grupo de pesquisa do Laboratório de Radiação Térmica (LRT/UFRGS) para o problema unidimensional de superfícies negras e infinitas preenchidas por um meio não-isotérmico e não-homogêneo. Os erros encontrados para o fluxo de calor radiativo nas superfícies e para o termo fonte radiativo ao longo do meio foram da ordem de 1% indicando o funcionamento correto das rotinas UDF acopladas ao Fluent. Por fim, as rotinas foram aplicadas na simulação numérica para chamas de potência constante com diluição dos reagentes e os dados obtidos com a solução numérica foram comparados com dados experimentais para a fração radiante e fluxo de calor radiativo. Os desvios médios encontrados para o fluxo de calor radiativo ficaram em torno de 10% para todas as chamas, excetuando as chamas com diluição de CO2 de 30%, 40% e 50%, em volume, para as quais os desvios médios ficaram em torno de 15%. O termo fonte para as chamas apontou para a predominância da emissão do meio em relação à absorção. Todas as chamas estudadas se encontram no regime opticamente fino (optically thin) para o qual, segundo apontam estudos da literatura, a escolha do modelo espectral possui impacto pequeno em resultados globais da chama como a temperatura e a concentração das espécies na mistura. Nesse aspecto os resultados encontrados concordaram com a previsão da literatura, entretanto para a transferência radiativa, o modelo GG se mostrou sensivelmente menos preciso em comparação ao modelo WSGG, principalmente para a fração radiante e para o fluxo radiativo na região da pluma aquecida, indicando a dependência do modelo espectral adotado. / Coupled simulations of the reactive flow with the heat transfer processes for flame studying are computationally demanding problems. The radiative transfer in combustion processes is the main heat transfer mechanism due to the high temperatures involved. However, the highly irregular behavior o f the absorption coefficient with the wavenumber composes in an additional difficulty on modeling the radiative transfer in participating media. In order to overcome this issue, spectral models were developed with the objective of simulate the behavior of real gases. Some of the most known models are the gray gas (GG) for which the spectral behavior of the radiative properties of the medium is neglected and the weighted-sum-of-gray-gases (WSGG) for which the integration over the entire spectrum is replaced by a summation over a finite number of gray gases with constant absorption coefficients. With the development of computational tools, mainly Computational Fluid Dynamics (CFD) codes, numerical approaches became attractive instead or in complement of experimental set ups. In this way, the present work aims to couple the WSGG and the GG models with new correlations in a detailed simulation of diffusive laminar flames of methane diluted with carbon dioxide and nitrogen with the commercial CFD code ANSYS/Fluent. User-defined functions (UDF) were developed to the coupling of the spectral models. The verification was carried out through the WSGG model by comparing the Fluent solution with a solution obtained with a FORTRAN code developed by the Thermal Radiation Laboratory (LRT/UFRGS) research group for the one-dimensional system of black surfaces filled with a non-homogeneous and non-isothermal medium. The deviations for the radiative heat flux for the walls and the radiative heat source along the domain were of 1% or less, indicating the correct coupling between the UDF routines and the CFD code. Finally, the UDF were applied in the solution of constant power flames with fuel diluted with carbon dioxide and nitrogen. The obtained data was then compared with experimental measurements for the radiant fraction and the radiative heat flux along the flame axis. The average deviations found were in order of 10% for all flames, except for the flames with 30%, 40% and 50% of CO2 dilution, in volume, for which the deviatioms found were in order of 15%. The radiative heat source was plotted and indicated for the medium emission predominance in comparison with the medium absorption. All flames studied were optically thin flames for which, studies pointed, the spectral model have minor impact over global results as flame temperature and mixture concentration. For this aspect the results found showed agreement with the literature studies predictions, however the GG model showed itself less accurate in comparison with the WSGG model for the radiant fraction and the radiative heat flux computations. So the spectral models have influence on the radiative transfer even if its effect on flame structure can be negligible.

Les énergies fossiles sont largement utilisées depuis les années 1900 pour satisfaire l’augmentation mondiale de la demande d’énergie. Cependant, la combustion est un procédé qui libère des polluants comme le CO2 et les NOx. Un des principaux challenges du 21ème siècle est de réduire ces émissions et les constructeurs automobiles sont impliqués dans cette course. Pour augmenter le rendement des moteurs à pistons, des solutions techniques, tels que le "downsizing", sont développées. Cette technique consiste à réduire la cylindrée des moteurs tout en maintenant leurs performances grâce à un turbocompresseur qui permet d’augmenter la masse enfermée dans la chambre de combustion. Malheureusement, l’augmentation de la pression dans les cylindres induite par le turbocompresseur est à l’origine de combustions anormales : des variations cycles à cycles importantes apparaissent, les gaz frais peuvent s’auto-allumer (allumage avant le claquage de la bougie) entrainant des phénomènes de cliquetis ou de rumble. La Simulation aux Grandes Echelles (SGE) a déjà prouvé qu’elle était un outil fiable pour prédire ces combustions anormales. Cependant ces calculs reposent sur des modèles pour prédire la propagation de la flamme dans la chambre de combustion. Ces modèles sont généralement issus de corrélations réalisées dans des cas où la turbulence est supposée homogène et isotrope. Définir théoriquement ou numériquement une telle turbulence est relativement simple mais expérimentalement la tâche est plus délicate. Cette thèse s’intéresse à un dispositif classiquement utilisé: une enceinte fermée dans laquelle la turbulence est générée par des ventilateurs. L’objectif de ce travail est donc double: 1. caractériser la turbulence générée dans ce type d’enceinte pour vérifier si elle est homogène et isotrope. 2. caractériser finement la combustion, laminaire et turbulente, afin d’enrichir les connaissances dans ce domaine et ainsi améliorer les modèles utilisés. Une première étude sur la propagation des flammes laminaires a été menée. Elle présente les effets de l’étirement et du confinement sur la vitesse de flamme laminaire. La principale difficulté pour la simulation de l’enceinte complète consiste à trouver une méthode numérique permettant de reproduire précisément l’écoulement généré par un ventilateur mais aussi d’en gérer plusieurs simultanément. Deux méthodes ont alors été testées. Premièrement, une méthode type Frontières Immergées a été implémentée dans le code de calcul AVBP. Malgré les bons résultats obtenus sur des cas tests simples, cette méthode ne s’est pas montrée adaptée pour reproduire précisément l’écoulement généré par un seul ventilateur. Une autre approche, provenant du monde du calcul des turbomachines, et basée sur le couplage de codes (appelée MISCOG), a quant à elle démontré ses capacités à le faire et est donc utilisée pour calculer l’écoulement généré par les six ventilateurs à l’intérieur de l’enceinte. L’écoulement non réactif est d’abord analysé: les résultats montrent qu’il existe une zone d’environ 6 cm de diamètre au centre de l’enceinte dans laquelle la vitesse moyenne de l’écoulement est proche de zéro et dans laquelle la turbulence est quasiment homogène et isotrope. Enfin, le pré-mélange de gaz frais est allumé en déposant un noyau de gaz chauds au centre de l’enceinte et la phase de propagation turbulente est analysée. En particulier, il est montré que la température des gaz brulés déposés au moment de l’allumage est un paramètre critique. / Fossil energy is widely used since the 1900s to satisfy the global increasing energy demand. However, combustion is a process releasing pollutants such as CO2 and NOx. One of the major challenges of the 21th century is to reduce these emissions and car manufacturers are involved in this race. To increase fuel efficiency of piston engines, some technical solutions are developed such as ‘downsizing’. It consists in reducing the engine size while maintaining its performances using a turbocharger to increase the trapped mass in the combustion chamber. Unfortunately, downsizing can lead to abnormal combustions: intense cycle to cycle variations can appear, the fresh mixture can auto-ignite (ignition before spark-plug ignition) leading to knock or rumble. Large Eddy Simulation has proven to be a reliable tool to predict these abnormal combustions in real engines. However, such computations are performed using models to predict the flame propagation in the combustion chamber. Theses models are generally based on correlations derived in cases where turbulence is assumed to be homogeneous and isotropic. Defining theoretically or numerically such a turbulence is a simple task but experimentally it is more challenging. This thesis focuses on a apparatus used in most experimental systems: fans stirred vessel. The objective of this work is twofold: 1. characterize the turbulence generated inside the vessel to check wether it is homogeneous and isotropic or not, 2. finely characterize laminar and turbulent combustion in this setup in order to increase the knowledge in this field, and thereby improve models used. First, a laminar flame propagation study has been conducted to address both confinement and curvature effects on the laminar flame speed in a spherical configuration. The main difficulty to perform the simulation of the whole configuration consists in finding a numerical method able to compute accurately the flow generated by one fan and able to handle six fans simultaneously too. Two numerical methodologies have been tested. First an Immersed Boundaries method was implemented. Despite good results obtained on academic test cases, this method was shown to be unadapted to compute accurately the flow generated by one fan. On the other hand, a numerical approach, coming from turbomachinery calculations and based on code coupling (called MISCOG), demonstrates its ability to do it and it is used to compute the flow generated by the six fans inside the closed vessel. Non-reacting flow is first analyzed and reveals a zone at the vessel center of around 6 cm of diameter where mean velocity is near zero and turbulence is almost homogeneous and isotropic. After that, the premixed fresh mixture is ignited depositing a hot gases kernel at the vessel center and the turbulent propagation phase is analyzed. In particular, it is shown that the amount of energy deposited at ignition is a critical parameter.

Modelos algébricos para prever o comprimento de uma chama turbulenta têm sido foco de estudo de diversos grupos de pesquisa por suas aplicações na área de engenharia. O método experimental para obter o modelo varia desde visualizações simples, até técnicas fotográficas, este último com parâmetros fotográficos variando entre os autores. Técnicas fotográficas são usadas para estimar a altura de levantamento da base da chama, (Lift-Off) e o comprimento médio visível de chama (Visible Flame Length, VFL). Duas técnicas comuns que podem ser encontradas na literatura: por imagens de chama com baixo tempo de exposição e longo tempo de exposição, são comparados com um terceiro que se baseia na intensidade luminosa e na frequência de imagens de chama que ocupam um pixel. O melhor método foi utilizado para caracterizar o comportamento das chamas turbulentas de gás natural para diferentes regimes de velocidade do escoamento. Modelos algébricos que preveem o comprimento de chama, altura de levantamento e a velocidade crítica de extinção de chama são avaliados com os novos resultados experimentais. Logo após, os coeficientes numéricos dos melhores modelos algébricos são reajustados Finalmente, foram obtidos mapas de estabilidade relacionados à altura de levantamento e à velocidade crítica de extinção de chama para cada diâmetro em função da diluição com CO2 e do número adimensional de Reynolds. A terceira parte deste trabalho está focada no estudo da distribuição de radiação térmica. Em particular, foram consideradas três distâncias radiais medidas em comprimentos de chama (0,5 Lf, 1 Lf, 2 Lf) visando obter a distribuição do fluxo radiante experimental ao longo de um eixo vertical adjacente às chamas. Finalmente, os dados experimentais foram utilizados como dados de entrada em uma análise inversa com o objetivo de calcular os fatores de ponderação do modelo das múltiplas fontes ponderadas (por suas siglas em inglês WMPS). Nesta última parte, são apresentados frações radiantes e distribuições de fluxo de calor radiante de chamas de gás natural diluídas para diversas diluições com dióxido de carbono e diâmetros do queimador. / Predicting models for turbulent diffusion flame lengths have several applications driven the attention of many research groups. Since several studies use photographs to measure the flame length, with photographic parameters varying among authors, in other cases simple visualizations were used. It is important to explore possible discrepancies among measurement technics that could affect the results. Optical visualizations of turbulent diffusion flames are used to estimate the visible average flame length (VFL) and the lift-off. The study presents a study of three different methods to measure the VFL using optical techniques. The effect on the image of the main optic parameters such as focus, exposure time and ISO sensibility are analyzed. The VFL obtained with images in low exposure time and long exposure time are compared with a third optical method that is based on the luminous intensity and the frequency of flame images occupying a pixel. One method was used to characterize the behavior of turbulent diffusion flames of natural gas for a range of flames in function of the flow velocity. Universal non-dimensional models that describe the VFL, lift-off and the blow-out stability limit of gaseous jet diffusion flames in the still air have been compared with new experimental data. The numerical coefficients of the best models are adjusted. Finally, maps of stability related to lift-off and blow-out were obtained for each diameter in function of the dilution with CO2 and flow exit velocity expressed in non-dimensional Reynolds number The third part of this work focuses on the estimation of the thermal distribution of radiative flux from turbulent diffusion flames in laboratory-scale. The experimental measurements were gotten from the previous stability study. In particular, was considered three radial distances measured in flame lengths (0,5 Lf, 1 Lf, 2 Lf) aiming at obtaining the experimental radiant flux along a vertical axis adjacent to the flames. Finally, the experimental data was used as input data in an inverse analysis with the purpose of computing weight coefficients of the weighted multi-point source (WMPS) model. Then, experimental data that include: radiant fractions and radiative heat flux are presents for several flames with different dilutions with carbon dioxide and burner´s diameters.

Simulações acopladas do escoamento reativo e dos processos de transferência de calor para o estudo de chamas são problemas dispendiosos computacionalmente. A transferência de calor por radiação em processos de combustão, devido às elevadas temperaturas, é o processo de troca energética dominante. Ainda, o comportamento altamente irregular do coeficiente de absorção com o comprimento de onda se constitui em uma dificuldade adicional na modelagem da transferência radiativa em meios participantes. Para contornar essa dificuldade modelos espectrais foram desenvolvidos com o objetivo de simular o comportamento de um gás real. Dentre esses modelos destacam-se o gás cinza (GG: Gray Gas), o mais simples, que negligencia o comportamento espectral do coeficiente de absorção, e o modelo da soma-ponderada-de-gases-cinza (WSGG: Weighted-Sum-of-Gray-Gases) onde a integração sobre todo o espectro é substituída por um número finito de gases cinza. Com o avanço de ferramentas computacionais, principalmente códigos CFD (Computational Fluid Dynamics), abordagens computacionais se tornaram atrativas frente ou em complemento às abordagens experimentais. Desse modo, o presente trabalho tem por objetivo a aplicação dos modelos WSGG e GG com novas correlações na simulação detalhada de chamas difusivas laminares de metano diluído com dióxido de carbono e nitrogênio com o código CFD comercial ANSYS/Fluent. Foram desenvolvidas rotinas de usuário (UDF: User-Defined Functions) para o acoplamento dos modelos espectrais ao código CFD. A verificação das rotinas de usuário foi realizada comparando os resultados obtidos via simulação Fluent com dados obtidos pelo modelo WSGG com um código FORTRAN próprio desenvolvido pelo grupo de pesquisa do Laboratório de Radiação Térmica (LRT/UFRGS) para o problema unidimensional de superfícies negras e infinitas preenchidas por um meio não-isotérmico e não-homogêneo. Os erros encontrados para o fluxo de calor radiativo nas superfícies e para o termo fonte radiativo ao longo do meio foram da ordem de 1% indicando o funcionamento correto das rotinas UDF acopladas ao Fluent. Por fim, as rotinas foram aplicadas na simulação numérica para chamas de potência constante com diluição dos reagentes e os dados obtidos com a solução numérica foram comparados com dados experimentais para a fração radiante e fluxo de calor radiativo. Os desvios médios encontrados para o fluxo de calor radiativo ficaram em torno de 10% para todas as chamas, excetuando as chamas com diluição de CO2 de 30%, 40% e 50%, em volume, para as quais os desvios médios ficaram em torno de 15%. O termo fonte para as chamas apontou para a predominância da emissão do meio em relação à absorção. Todas as chamas estudadas se encontram no regime opticamente fino (optically thin) para o qual, segundo apontam estudos da literatura, a escolha do modelo espectral possui impacto pequeno em resultados globais da chama como a temperatura e a concentração das espécies na mistura. Nesse aspecto os resultados encontrados concordaram com a previsão da literatura, entretanto para a transferência radiativa, o modelo GG se mostrou sensivelmente menos preciso em comparação ao modelo WSGG, principalmente para a fração radiante e para o fluxo radiativo na região da pluma aquecida, indicando a dependência do modelo espectral adotado. / Coupled simulations of the reactive flow with the heat transfer processes for flame studying are computationally demanding problems. The radiative transfer in combustion processes is the main heat transfer mechanism due to the high temperatures involved. However, the highly irregular behavior o f the absorption coefficient with the wavenumber composes in an additional difficulty on modeling the radiative transfer in participating media. In order to overcome this issue, spectral models were developed with the objective of simulate the behavior of real gases. Some of the most known models are the gray gas (GG) for which the spectral behavior of the radiative properties of the medium is neglected and the weighted-sum-of-gray-gases (WSGG) for which the integration over the entire spectrum is replaced by a summation over a finite number of gray gases with constant absorption coefficients. With the development of computational tools, mainly Computational Fluid Dynamics (CFD) codes, numerical approaches became attractive instead or in complement of experimental set ups. In this way, the present work aims to couple the WSGG and the GG models with new correlations in a detailed simulation of diffusive laminar flames of methane diluted with carbon dioxide and nitrogen with the commercial CFD code ANSYS/Fluent. User-defined functions (UDF) were developed to the coupling of the spectral models. The verification was carried out through the WSGG model by comparing the Fluent solution with a solution obtained with a FORTRAN code developed by the Thermal Radiation Laboratory (LRT/UFRGS) research group for the one-dimensional system of black surfaces filled with a non-homogeneous and non-isothermal medium. The deviations for the radiative heat flux for the walls and the radiative heat source along the domain were of 1% or less, indicating the correct coupling between the UDF routines and the CFD code. Finally, the UDF were applied in the solution of constant power flames with fuel diluted with carbon dioxide and nitrogen. The obtained data was then compared with experimental measurements for the radiant fraction and the radiative heat flux along the flame axis. The average deviations found were in order of 10% for all flames, except for the flames with 30%, 40% and 50% of CO2 dilution, in volume, for which the deviatioms found were in order of 15%. The radiative heat source was plotted and indicated for the medium emission predominance in comparison with the medium absorption. All flames studied were optically thin flames for which, studies pointed, the spectral model have minor impact over global results as flame temperature and mixture concentration. For this aspect the results found showed agreement with the literature studies predictions, however the GG model showed itself less accurate in comparison with the WSGG model for the radiant fraction and the radiative heat flux computations. So the spectral models have influence on the radiative transfer even if its effect on flame structure can be negligible.

Modelos algébricos para prever o comprimento de uma chama turbulenta têm sido foco de estudo de diversos grupos de pesquisa por suas aplicações na área de engenharia. O método experimental para obter o modelo varia desde visualizações simples, até técnicas fotográficas, este último com parâmetros fotográficos variando entre os autores. Técnicas fotográficas são usadas para estimar a altura de levantamento da base da chama, (Lift-Off) e o comprimento médio visível de chama (Visible Flame Length, VFL). Duas técnicas comuns que podem ser encontradas na literatura: por imagens de chama com baixo tempo de exposição e longo tempo de exposição, são comparados com um terceiro que se baseia na intensidade luminosa e na frequência de imagens de chama que ocupam um pixel. O melhor método foi utilizado para caracterizar o comportamento das chamas turbulentas de gás natural para diferentes regimes de velocidade do escoamento. Modelos algébricos que preveem o comprimento de chama, altura de levantamento e a velocidade crítica de extinção de chama são avaliados com os novos resultados experimentais. Logo após, os coeficientes numéricos dos melhores modelos algébricos são reajustados Finalmente, foram obtidos mapas de estabilidade relacionados à altura de levantamento e à velocidade crítica de extinção de chama para cada diâmetro em função da diluição com CO2 e do número adimensional de Reynolds. A terceira parte deste trabalho está focada no estudo da distribuição de radiação térmica. Em particular, foram consideradas três distâncias radiais medidas em comprimentos de chama (0,5 Lf, 1 Lf, 2 Lf) visando obter a distribuição do fluxo radiante experimental ao longo de um eixo vertical adjacente às chamas. Finalmente, os dados experimentais foram utilizados como dados de entrada em uma análise inversa com o objetivo de calcular os fatores de ponderação do modelo das múltiplas fontes ponderadas (por suas siglas em inglês WMPS). Nesta última parte, são apresentados frações radiantes e distribuições de fluxo de calor radiante de chamas de gás natural diluídas para diversas diluições com dióxido de carbono e diâmetros do queimador. / Predicting models for turbulent diffusion flame lengths have several applications driven the attention of many research groups. Since several studies use photographs to measure the flame length, with photographic parameters varying among authors, in other cases simple visualizations were used. It is important to explore possible discrepancies among measurement technics that could affect the results. Optical visualizations of turbulent diffusion flames are used to estimate the visible average flame length (VFL) and the lift-off. The study presents a study of three different methods to measure the VFL using optical techniques. The effect on the image of the main optic parameters such as focus, exposure time and ISO sensibility are analyzed. The VFL obtained with images in low exposure time and long exposure time are compared with a third optical method that is based on the luminous intensity and the frequency of flame images occupying a pixel. One method was used to characterize the behavior of turbulent diffusion flames of natural gas for a range of flames in function of the flow velocity. Universal non-dimensional models that describe the VFL, lift-off and the blow-out stability limit of gaseous jet diffusion flames in the still air have been compared with new experimental data. The numerical coefficients of the best models are adjusted. Finally, maps of stability related to lift-off and blow-out were obtained for each diameter in function of the dilution with CO2 and flow exit velocity expressed in non-dimensional Reynolds number The third part of this work focuses on the estimation of the thermal distribution of radiative flux from turbulent diffusion flames in laboratory-scale. The experimental measurements were gotten from the previous stability study. In particular, was considered three radial distances measured in flame lengths (0,5 Lf, 1 Lf, 2 Lf) aiming at obtaining the experimental radiant flux along a vertical axis adjacent to the flames. Finally, the experimental data was used as input data in an inverse analysis with the purpose of computing weight coefficients of the weighted multi-point source (WMPS) model. Then, experimental data that include: radiant fractions and radiative heat flux are presents for several flames with different dilutions with carbon dioxide and burner´s diameters.

This thesis is concerned with experimental and computational studies on pulse detonation engine (PDE) that has been envisioned as a new concept engine. These engines use the high pressure generated by detonation wave for propulsion. The cycle efficiency of PDE is either higher in comparison to conventional jet engines or at least has similar high performance with much greater simplicity in terms of components. The first part of the work consists of an experimental study of the performance of PDE under choked flame and partial fill conditions. Detonations used in classical PDEs create conditions of Mach numbers of 4-6 and choked flames create conditions in which flame achieves Mach numbers near-half of detonation wave. While classical concepts on PDE's utilize deflagration-to-detonation transition and are more intensively studied, the working of PDE under choked regime has received inadequate attention in the literature and much remains to be explored. Most of the earlier studies claim transition to detonation as success in the working of the PDE and non-transition as failure. After exploring both these regimes, the current work brings out that impulse obtained from the wave traveling near the choked flame velocity conditions is comparable to detonation regime. This is consistent with the understanding from the literature that CJ detonation may not be the optimum condition for maximum specific impulse. The present study examines the details of working of PDE close to the choked regime for different experimental conditions, in comparison with other aspects of PDEs. The study also examines transmission of fast flames from small diameter pipe into larger ducts. This approach in the smaller pipe for flame acceleration also leading to decrease in the time and length of transition process. The second part of the study aims at elucidating the features of deflagration-to-detonation transition with direct numerical simulation (DNS) accounting for and the choice of full chemistry and DNS is based on two features: (a) the induction time estimation at the conditions of varying high pressure and temperature behind the shock can only be obtained through the use of full chemistry, and (b) the complex effects of fine scale of turbulence that have sometimes been argued to influence the acceleration phase in the DDT cannot be captured otherwise. Turbulence in the early stages causes flame wrinkling and helps flame acceleration process. The study of flame propagation showed that the wrinkling of flame has major effect on the final transition phase as flame accelerates through the channel. Further, flame becomes corrugated prior to transition. This feature was investigated using non-uniform initial conditions. Under these conditions the pressure waves emanating from corrugated flame interact with the shock moving ahead and transition occurs in between the flame and the forward propagating shock wave. The primary contributions of this thesis are: (a) Elucidating the phenomenology of choked flames, demonstrating that under partial fill conditions, the specific impulse can be superior to detonations and hence, allowing for the possibility of choked flames as a more appropriate choice for propulsive purposes instead of full detonations, (b) The use of smaller tube to enhance the flame acceleration and transition to detonation. The comparison with earlier experiments clearly shows the enhancements achieved using this method, and (c) The importance of the interaction between pressure waves emanating from the flame front with the shock wave which leads to formation of hot spots finally transitioning to detonation wave.