Large Eddy Simulation (LES) has potential to address unsteady phenomena in turbulent premixed flames and to capture turbulence scales and their influence on combustion. Thus, this approach is gaining interest in industry to analyse turbulent reacting flows. In LES, the dynamics of large-scale turbulent eddies down to a cut-off scale are solved, with models to mimic the influences of sub-grid scales. Since the flame front is thinner than the smallest scale resolved in a typical LES, the premixed combustion is a sub-grid scale (SGS) phenomenon and involves strong interplay among small-scale turbulence, chemical reactions and molecular diffusion. Sub-grid scale combustion models must accurately represent these processes. When the flame front is thinner than the smallest turbulent scale, the flame is corrugated by the turbulence and can be seen as an ensemble of thin, one-dimensional laminar flames (flamelets). This allows one to decouple turbulence from chemistry, with a significant reduction in computational effort. However, potentials and limitations of flamelets are not fully explored and understood. This work contributes to this understanding. Two models are identified, one based on an algebraic expression for the reaction rate of a progress variable and the assumption of fast chemistry, the other based on a database of unstrained flamelets in which reaction rates are stored and parametrised using a progress variable and its SGS variance, and their potentials are shown for a wide range of premixed combustion conditions of practical interest. The sensitivity to a number of model parameters and boundary conditions is explored to assess the robustness of these models. This work shows that the SGS variance of progress variable plays a crucial role in the SGS reaction rate modelling and cannot be obtained using a simple algebraic closure like that commonly used for a passive scalar. The use of strained flamelets to include the flame stretching effects is not required when the variance is obtained from its transport equation and the resolved turbulence contains predominant part of the turbulent kinetic energy. Thus, it seems that SGS closure using unstrained flamelets model is robust and adequate for wide range of turbulent premixed combustion conditions.

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第22770号 / 工博第4769号 / 新制||工||1746(附属図書館) / 京都大学大学院工学研究科機械理工学専攻 / (主査)教授 黒瀬 良一, 教授 中部 主敬, 教授 岩井 裕 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

京都大学 / 新制・課程博士 / 博士(工学) / 甲第23882号 / 工博第4969号 / 新制||工||1776(附属図書館) / 京都大学大学院工学研究科機械理工学専攻 / (主査)教授 黒瀬 良一, 教授 中部 主敬, 教授 岩井 裕 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

Cold flow inside a Solid Fueled Ramjet (SFRJ) is simulated using large eddy simulations (LES). A finite element method using a Discontinuous Galerkin bases has been implemented in the open-sourced multi-physics software SU2. Novel LES formulations of the fuel-gas boundary conditions and the heat release due to mixing are obtained using integration by parts over the discontinuous Galerkin bases. The Smagorisnki and wall-adapted subgrid stress model for the scalar variance have been implemented and investigated in twodimensions. Spectral Proper Orthogonal Decomposition is used to analyze CFD results to determine acoustic modes in the ramjet. Peak acoustic frequencies are compared between between numerical and experimental results. Comparisons are made between simulations performed with a 2D axisymmetric domain and full 3D domain. Cold-flow LES simulations show that there are two dominant acoustic modes (St ≡ f/f0 = {3, 18}) in the ramjet and their frequency appears to be invariant to the cavity configuration. The first peak corresponds to a longitudinal mode associated to the chamber fundamental oscillations (with length scale Lc). The second is characterized with radial fluctuations in the mixing chamber and features the maximum chamber radius of the ramjet as its scaling length. Mixed (radial and axial) modes in the intermediate frequency range reveal the effect of a slanted aft wall on the acoustics. Three-dimensional cold flow simulations predicted weak non-symmetric (azimuthal) modes. Hot-flow simulations show a substantial increase in the mean chamber pressure with the addition of the cavity, indicating that it enhances flame-holding in solid-fuel ramjets, in agreement with the experiments. The analysis of the ramjet acoustic modes shows the emergence of low frequency modes in the cavity cases, in agreement with the experiments. Using SPOD, these modes were associated with low frequency breathing of the recirculation region at the nozzle throat. Perturbations are localized in the throat region because of the Mach number pressure scaling. These modes do not seem to affect the pressure fluctuation and thus combustion in the chamber. Together with the emergence of low frequency vortical modes, the cavity supports a decrease in the high-wave number harmonics of the ramjet chamber acoustic mode. These fluctuations are supported by non-linear amplification of the fundamental mode, which is enhanced by the thermo-acoustic coupling. / Master of Science / Novel propulsion designs, such as solid fuel ramjets, present the opportunity of optimizing cavity shapes using additive manufacturing and three-dimensional printing to improve fuelair mixing and lowering the thermo-acoustic feedback. In this work a computational model for solid fuel ramjets is developed and applied to laboratory firing tests performed by Prof Young's group at the advanced propulsion laboratory at Virginia Tech. In order to capture the fine mixing scales a novel discretization of the reactive Navier-Stokes using discontinuous Galerkin bases is implemented in an open source CFD code popular with aerospace graduate students and researchers. Subgrid modelling is implemented to determine the effect of small scales on the PMMA combustion mechanism developed at Virginia Tech. Numerical methods are used to simulate the turbulent flow of air through an axisymmetric cavity.

<p><br></p> <p>A  combustion simulation involves various physiochemical processes, such as molecular and turbulent diffusion, smoke and soot formation, thermal radiation, chemical reaction mechanisms, and kinetics. In the last decade, computational fluid dynamics (CFD) has been increasingly used in combustion modeling. It is critically important to improve and enhance the predictive capabilities of combustion models. This work presents an analysis of two types of diffusion flames: the momentum-dominant jet flames and buoyancy-controlled pool fires. The gap between the existing knowledge of differential molecular diffusion in turbulent high momentum jet flow and the practical applications has been reduced. The importance of mixing modeling in pool fire simulations has been revealed, and enhancement for predicting fire extinction limits has been proposed.</p> <p><br></p> <p>Modeling differential molecular diffusion in turbulent non-premixed combustion remains a great challenge for flamelet models. The laminar flamelet is a key component of a flamelet model for turbulent combustion. One significant challenge that has not been well addressed is the representativity of laminar flamelet for the characteristics of differential molecular diffusion in turbulent combustion problems. Laminar flamelet is generated typically based on two conceptual burner configurations, the opposed jet burner, and the Tsuji burner. They are commonly considered equivalent when dealing with the description of laminar flamelet structures. A difference between them is revealed in this work for the first time when they are used to represent differential molecular diffusion. The traditionally opposed jet burner yields an almost fixed equal diffusion location in the mixture fraction space for the transport of different elements. The Tsuji burner can produce a continuous variation of the equal diffusion location in the mixture fraction space with a slight extension. This variation of the equal diffusion location is shown to be an essential characteristic of turbulent non-premixed combustion, as demonstrated in a laminar jet mixing layer problem, a turbulent jet mixing layer problem, and a turbulent jet non-premixed flame. The Tsuji burner is thus potentially a more suitable choice than the opposed jet burner for laminar flamelet generation that can be consequently used in flamelet modeling of differential molecular diffusion for turbulent non-premixed combustion.</p> <p><br></p> <p>Capturing fire extinction limits in simulations is essential for developing predictive capabilities for fire. In this work, the combined large-eddy simulation (LES) and transported probability density function (PDF) methods are assessed for the predictions of fire extinction. The University of Maryland line burner is adopted as a validation test case. The NIST Fire Dynamics Simulator (FDS) code for LES is combined with an in-house PDF code called HPDF for the fire simulations. The simulation results were verified by using the available experimental data. The combustion efficiency under the different oxygen depletion levels in the oxidizer is analyzed. Fire extinction occurs when the oxygen depletion level reduces to a certain level. The model’s capability to capture this extinction limit is assessed by using the experimental data. Different mixing models and model parameters are examined. It is found that the fire extinction limit is very sensitive to the different mixing models and mixing parameters. The level of sensitivity is higher than in momentum-driven turbulent flames, which suggests the importance of mixing modeling in fire simulations. The existing mixing models need further enhancement for predicting fire extinction. </p> <p><br></p>

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Simulações de chamas empregando mecanismos cinéticos detalhados são problemas computacionalmente demandantes. Por esse motivo, mecanismos reduzidos e técnicas de redução de cinética química vêm sendo desenvolvidos buscando uma melhor eficiência computacional. Mecanismos globais de poucos passos são particularmente populares pela simplicidade de programação nos códigos disponíveis. Assim, o objetivo da presente dissertação é avaliar modelagens simplificadas de cinética química na simulação numérica de chamas laminares 1D e 2D de metano diluído com dióxido de carbono. Mecanismos globais de 1, 2 e 4-passos são avaliados em comparação com o mecanismo detalhado GRI-Mech 3.0 na simulação unidimensional de chamas difusivas contra-corrente. O mecanismo global de melhor desempenho é então usado nas simulações bidimensionais de chamas difusivas tipo jato em comparação com a técnica de redução Flamelet-Generated Manifold. Observou-se que o mecanismo de 4-passos estudado apresenta bons resultados para o campo de temperaturas e para as principais espécies químicas, tanto nas simulações unidimensionais quanto nas bidimensionais. No entanto, espécies minoritárias como o CO e H2 não são bem reproduzidas. Fenômenos como posição de estabilização e penetração de oxidante na base de chamas tipo jato também não são capturadas quando o mecanismo global é usado. Por outro lado, a técnica FGM se mostrou capaz de prever tais fenômenos e resultou, adicionalmente, em um ganho computacional expressivo. / Numerical simulations of flames employing detailed kinetic mechanisms are computationally demanding problems. For this reason, reduced mechanisms and techniques of chemical kinetic reduction have been developed aiming better computational efficiency. Global mechanisms formed by few steps are particularly popular due to the simplicity of programing them in available codes. Thus, the objective of the present dissertation is to evaluate simplified chemical kinetics models in 1D and 2D numerical simulations of methane diluted with carbon dioxide laminar flames. Global mechanisms formed by 1, 2 and 4-steps are evaluated in comparison with the detailed mechanism GRI-Mech 3.0 in one-dimensional simulations of counterflow diffusive flames. The global mechanism with best performance is then used in two-dimensional simulations of diffusive jet flames for a comparison with the chemical reduction technique FGM. It was observed that a 4-step mechanism presented good results for temperature and major chemical species for both one and two-dimensional simulations. However, minor species like CO and H2 are not well reproduced. Phenomena such as stabilization position and oxygen penetration in the jet flame base are also not captured when the global mechanism is used. On the other hand, the technique Flamelet- Generated Manifold demonstrated to predict those phenomena and resulted, additionally, in an expressive computational gain.

Simulações de chamas empregando mecanismos cinéticos detalhados são problemas computacionalmente demandantes. Por esse motivo, mecanismos reduzidos e técnicas de redução de cinética química vêm sendo desenvolvidos buscando uma melhor eficiência computacional. Mecanismos globais de poucos passos são particularmente populares pela simplicidade de programação nos códigos disponíveis. Assim, o objetivo da presente dissertação é avaliar modelagens simplificadas de cinética química na simulação numérica de chamas laminares 1D e 2D de metano diluído com dióxido de carbono. Mecanismos globais de 1, 2 e 4-passos são avaliados em comparação com o mecanismo detalhado GRI-Mech 3.0 na simulação unidimensional de chamas difusivas contra-corrente. O mecanismo global de melhor desempenho é então usado nas simulações bidimensionais de chamas difusivas tipo jato em comparação com a técnica de redução Flamelet-Generated Manifold. Observou-se que o mecanismo de 4-passos estudado apresenta bons resultados para o campo de temperaturas e para as principais espécies químicas, tanto nas simulações unidimensionais quanto nas bidimensionais. No entanto, espécies minoritárias como o CO e H2 não são bem reproduzidas. Fenômenos como posição de estabilização e penetração de oxidante na base de chamas tipo jato também não são capturadas quando o mecanismo global é usado. Por outro lado, a técnica FGM se mostrou capaz de prever tais fenômenos e resultou, adicionalmente, em um ganho computacional expressivo. / Numerical simulations of flames employing detailed kinetic mechanisms are computationally demanding problems. For this reason, reduced mechanisms and techniques of chemical kinetic reduction have been developed aiming better computational efficiency. Global mechanisms formed by few steps are particularly popular due to the simplicity of programing them in available codes. Thus, the objective of the present dissertation is to evaluate simplified chemical kinetics models in 1D and 2D numerical simulations of methane diluted with carbon dioxide laminar flames. Global mechanisms formed by 1, 2 and 4-steps are evaluated in comparison with the detailed mechanism GRI-Mech 3.0 in one-dimensional simulations of counterflow diffusive flames. The global mechanism with best performance is then used in two-dimensional simulations of diffusive jet flames for a comparison with the chemical reduction technique FGM. It was observed that a 4-step mechanism presented good results for temperature and major chemical species for both one and two-dimensional simulations. However, minor species like CO and H2 are not well reproduced. Phenomena such as stabilization position and oxygen penetration in the jet flame base are also not captured when the global mechanism is used. On the other hand, the technique Flamelet- Generated Manifold demonstrated to predict those phenomena and resulted, additionally, in an expressive computational gain.

Simulações de chamas empregando mecanismos cinéticos detalhados são problemas computacionalmente demandantes. Por esse motivo, mecanismos reduzidos e técnicas de redução de cinética química vêm sendo desenvolvidos buscando uma melhor eficiência computacional. Mecanismos globais de poucos passos são particularmente populares pela simplicidade de programação nos códigos disponíveis. Assim, o objetivo da presente dissertação é avaliar modelagens simplificadas de cinética química na simulação numérica de chamas laminares 1D e 2D de metano diluído com dióxido de carbono. Mecanismos globais de 1, 2 e 4-passos são avaliados em comparação com o mecanismo detalhado GRI-Mech 3.0 na simulação unidimensional de chamas difusivas contra-corrente. O mecanismo global de melhor desempenho é então usado nas simulações bidimensionais de chamas difusivas tipo jato em comparação com a técnica de redução Flamelet-Generated Manifold. Observou-se que o mecanismo de 4-passos estudado apresenta bons resultados para o campo de temperaturas e para as principais espécies químicas, tanto nas simulações unidimensionais quanto nas bidimensionais. No entanto, espécies minoritárias como o CO e H2 não são bem reproduzidas. Fenômenos como posição de estabilização e penetração de oxidante na base de chamas tipo jato também não são capturadas quando o mecanismo global é usado. Por outro lado, a técnica FGM se mostrou capaz de prever tais fenômenos e resultou, adicionalmente, em um ganho computacional expressivo. / Numerical simulations of flames employing detailed kinetic mechanisms are computationally demanding problems. For this reason, reduced mechanisms and techniques of chemical kinetic reduction have been developed aiming better computational efficiency. Global mechanisms formed by few steps are particularly popular due to the simplicity of programing them in available codes. Thus, the objective of the present dissertation is to evaluate simplified chemical kinetics models in 1D and 2D numerical simulations of methane diluted with carbon dioxide laminar flames. Global mechanisms formed by 1, 2 and 4-steps are evaluated in comparison with the detailed mechanism GRI-Mech 3.0 in one-dimensional simulations of counterflow diffusive flames. The global mechanism with best performance is then used in two-dimensional simulations of diffusive jet flames for a comparison with the chemical reduction technique FGM. It was observed that a 4-step mechanism presented good results for temperature and major chemical species for both one and two-dimensional simulations. However, minor species like CO and H2 are not well reproduced. Phenomena such as stabilization position and oxygen penetration in the jet flame base are also not captured when the global mechanism is used. On the other hand, the technique Flamelet- Generated Manifold demonstrated to predict those phenomena and resulted, additionally, in an expressive computational gain.

[pt] Neste trabalho, foi desenvolvida uma modificação do modelo para simulação de sprays Diesel com o método de PDF presumida e cinética química tabulada. Através do acoplamento entre a parte química e a parte turbulenta, avaliou-se os efeitos do spray com a metodologia flamelet. Onde o conceito flamelet trata a chama difusiva e transiente como um conjunto de chamas unidimensionais, utilizando o modelo de PDF presumida para a avaliação dos valores turbulentos. A validação do modelo foi realizada com dados experimentais do laboratório Sandia, em uma câmara a volume constante. A validação e a aplicação do modelo foram conduzidas em diferentes tipos de ensaios experimentais: avaliação e comparação para diferentes modelos de cinética química do n-heptano, validação do método para o modelo de turbulência K-epsilon na câmara de volume constante do Sandia para o n-heptano não reativo, validação e comparação do modelo para o spray reativo e aplicação de modelo para o estudo comprimento do ancoramento de chama e para o tempo de atraso de ignição do n-heptano para diferentes temperaturas ambientes. Em geral, a modelagem proposta tem demonstrado excelente capacidade de previsão para a combustão com spray Diesel numa vasta gama de aplicações e é um candidato altamente promissor para outras aplicações em motores Diesel. / [en] In this work, a modification of the model for the simulation of diesel sprays with the presumed PDF method and tabulated chemical kinetics was developed. Through the coupling between the chemical part and the turbulent part, the effects of the spray were evaluated for the flamelet methodology. Where the textit flamelet concept treats the diffusive and transient flame as a set of one-dimensional flames, using the presumed PDF model for the evaluation of turbulent values. The validation of the model was performed with experimental data from the Sandia laboratory, in a chamber at constant volume. The validation and application of the model were conducted in different types of experimental trials: evaluation and comparison for different chemical kinetics models of n-heptane, validation of the method for the turbulence model K-epsilon in the constant volume chamber of the Sandia for non-reactive n-heptane, validation and comparison of the model for the reactive spray and model application for the study of the flame anchoring length and for the ignition delay time of n-heptane at different ambient temperatures. In general, the proposed modeling has demonstrated excellent predictive capacity for diesel spray combustion in a wide range of applications and is a highly promising candidate for other applications in diesel engines.