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Thesis (Ph. D.)--University of Texas at Austin, 1998. / Vita. Includes bibliographical references (leaves 161-173). Available also in a digital version from Dissertation Abstracts.

A one-dimensional, steady-state numerical model of the combustion of homogeneous solid propellant has been developed. The combustion processes is modeled in three regions: solid, two-phase (liquid and gas) and gas. Conservation of energy and mass equations are solved in the two-phase and gas regions and the eigenvalue of the system (the mass burning rate) is converged by matching the heat flux at the interface of these two regions. The chemical reactions of the system are modeled using a global kinetic mechanism in the two-phase region and an elementary kinetic mechanism in the gas region. The model has been applied to RDX, HMX and GAP. There is very reasonable agreement between experimental data and model predictions for burning rate, temperature sensitivity, surface temperature, adiabatic flame temperature, species concentration profiles and melt-layer thickness. Many of the similarities and differences in the combustion of RDX and HMX are explained from sensitivity analysis results. The combustion characteristics of RDX and HMX are similar because of their similar chemistry. Differences in combustion characteristics arise due to differences in melting temperature, vapor pressure and initial decomposition steps. A reduced mechanism consisting of 18 species and 39 reactions was developed from the Melius-Yetter RDX mechanism (45 species, 232 reactions). This reduced mechanism reproduces most of the predictions of the full mechanism but is 7.5 times faster. Because of lack of concrete thermophysical property data for GAP, the modeling results are preliminary but indicate what type of experimental data is necessary before GAP can be modeled with more certainty.

This work evaluates the capabilities of the RANS and LES techniques for the simulation of high speed reacting flows. These methods are used to gain further insight into the physics encountered and regimes present in supersonic combustion. The target application of this research is the scramjet engine, a propulsion system of great promise for efficient hypersonic flight. In order to conduct this work a new highly parallelised code, PULSAR, is developed. PULSAR is capable of simulating complex chemistry combustion in highly compressible flows, based on a second order upwind method to provide a monotonic solution in the presence of high gradient physics. Through the simulation of a non-reacting supersonic coaxial helium jet the RANS method is shown to be sensitive to constants involved in the modelling process. The LES technique is more computationally demanding but is shown to be much less sensitive to these model parameters. Nevertheless, LES results are shown to be sensitive to the nature of turbulence at the inflow; however this information can be experimentally obtained. The SCHOLAR test case is used to validate the reacting aspects of PULSAR. Comparing RANS results from laminar chemistry and assumed PDF combustion model simulations, the influence of turbulence-chemistry interactions in supersonic combustion is shown to be small. In the presence of reactions, the RANS results are sensitive to inflow turbulence, due to its influence on mixing. From complex chemistry simulations the combustion behaviour is evaluated to sit between the flamelet and distributed reaction regimes. LES results allow an evaluation of the physics involved, with a pair of coherent vortices identified as the dominant influence on mixing for the oblique wall fuel injection method. It is shown that inflow turbulence has a significant impact on the behaviour of these vortices and hence it is vital for turbulence intensities and length scales to be measured by experimentalists, in order for accurate simulations to be possible.

Government regulations to reduce pollutants and increasing environmental awareness in the power generation industry have encouraged coal power plants to begin firing biomass in their boilers. Biomass generally consists of larger particles which produce longer flames than coal for a given burner. The length of the flame is important in fixed-volume boilers because of its influence on heat transfer, corrosion, deposition, and pollutant formation. Many pulverized fuel burners employ a series of co-annular tubes with various flows of fuel and air to produce a stabilized flame. A variable swirl burner with three co-annular tubes, each of variable diameter, has been used to collect flame length data for nearly 400 different operating conditions of varying swirl, fuel type, air flow rate, enhanced oxygen flow rate and oxygen addition location. A model based on the length required to mix fuel and air to a stoichiometric mixture was developed. Inputs to the model are the flow rates of fuel, air, and oxygen, swirl vane position and burner geometries. The model was exercised by changing flow rates and burner tube diameters one at a time while holding all others constant. Physical explanations for trends produced were given.The model also requires two constants, one of which is solved for given a case without swirl, and the other is found by fitting experimental data. The constants found in this study appear to be accurate exclusive to the BYU burner. Thus burner designers will need to obtain minimal amounts of data to predict constants for their reactor and then employ the model to predict flame length trends. The resulting correlation predicts 90% of the flame lengths to be within 20% of the measured value. The correlation provides insights into the expected impact of burner flow rates and geometry changes on flame length which impacts particle burnout, NOx formation and heat transfer.

A mixture-fraction-based thermodynamic equilibrium approach for modeling gas-phase combustion was adapted and used in FIRETEC, a wildfire computational fluid dynamics model. The motivation behind this work was the desire to incorporate the features of complex chemistry calculations from the thermodynamic equilibrium model into FIRETEC without significantly increasing the computational burden of the program. In order to implement the mixture-fraction-based thermodynamic equilibrium approach, a sub-grid pocket model was developed to simulate the local mixture fraction of sub-grid flame sheets. Numerical simulations of wildfires were performed using FIRETEC with the new sub-grid, mixture-fraction-based pocket model to model gas-phase combustion. The thermodynamic equilibrium model was used to calculate flame temperatures and combustion products, including CO2 and CO, for sub-grid, gas-phase combustion in FIRETEC simulations. Fire spread rates from simulations using the new sub-grid combustion model were 25-100% higher than fire spread rates from previous FIRETEC simulations, but the successes of modeling propagating fire lines and calculating detailed equilibrium combustion products from simulated sub-grid flame sheets demonstrated the feasibility of this new approach. Future work into the fine-tuning of pocket model parameters and modifying the conservation equation for energy in FIRETEC was recommended.

京都大学 / 0048 / 新制・課程博士 / 博士(エネルギー科学) / 甲第17915号 / エネ博第287号 / 新制||エネ||60(附属図書館) / 30735 / 京都大学大学院エネルギー科学研究科エネルギー変換科学専攻 / (主査)教授 石山 拓二, 教授 星出 敏彦, 准教授 川那辺 洋 / 学位規則第4条第1項該当 / Doctor of Energy Science / Kyoto University / DGAM

The main objective of this dissertation is to develop large-eddy simulation (LES) based computational tools for supersonic inlet and combustor design. In the recent past, LES methodology has emerged as a viable tool for modeling turbulent combustion. LES computes the large scale mixing process accurately, thereby providing a better starting point for small-scale models that describe the combustion process. In fact, combustion models developed in the context of Reynolds-averaged Navier Stokes (RANS) equations exhibit better predictive capability when used in the LES framework. The development of a predictive computational tool based on LES will provide a significant boost to the design of scramjet engines. Although LES has been used widely in the simulation of subsonic turbulent flows, its application to high-speed flows has been hampered by a variety of modeling and numerical issues. In this work, we develop a comprehensive LES methodology for supersonic flows, focusing on the simulation of scramjet engine components. This work is divided into three sections. First, a robust compressible flow solver for a generalized high-speed flow configuration is developed. By using carefully designed numerical schemes, dissipative errors associated with discretization methods for high-speed flows are minimized. Multiblock and immersed boundary method are used to handle scramjet-specific geometries. Second, a new combustion model for compressible reactive flows is developed. Subsonic combustion models are not directly applicable in high-speed flows due to the coupling between the energy and velocity fields. Here, a probability density function (PDF) approach is developed for high-speed combustion. This method requires solution to a high dimensional PDF transport equation, which is achieved through a novel direct quadrature method of moments (DQMOM). The combustion model is validated using experiments on supersonic reacting flows. Finally, the LES methodology is used to study the inlet-isolator component of a dual-mode scramjet. The isolator is a critical component that maintains the compression shock structures required for stable combustor operation in ramjet mode. We simulate unsteady dynamics inside an experimental isolator, including the propagation of an unstart event that leads to loss of compression. Using a suite of simulations, the sensitivity of the results to LES models and numerical implementation is studied. / text

Le syngas est un mélange gazeux de CO et H2 qui constitue un intermédiaire important dans l’industrie pétrochimique. Plusieurs approches sont utilisées pour le produire. L’oxydation partielle non catalytique (POX) et le reformage à la vapeur (SMR) en font partie. Le reformage auto thermique du méthane (ATR) combine quant à lui ces deux procédés au sein d’un même réacteur. L’amélioration du rendement global du procédé ATR requiert une meilleure caractérisation du comportement des gaz au sein de la chambre. La simulation numérique apparaît comme un outil efficace pour y parvenir. Pour réduire le coût CPU, c'est généralement l'approche RANS (Reynolds Average Numerical Simulation) qui est privilégiée pour la simulation complète de la chambre. Cette approche repose sur l'utilisation de modèles, parmi lesquels le modèle de combustion turbulente, qui a pour objectif de représenter les interactions entre la turbulence et la réaction chimique au sein du mélange. Plusieurs stratégies ont été proposées pour le calculer, qui bénéficient globalement d'une large expérience pour les systèmes classiques mettant en jeu la combustion. Cependant, les flammes observées dans les réacteurs ATR présentent des propriétés assez différentes de ces configurations classiques. La validité des modèles de combustion turbulente classiques doit donc y être vérifiée. L'objectif de cette thèse est de répondre à ce besoin, en testant la validité de différents modèles de combustion turbulente. La première partie du travail a consisté à analyser les propriétés des flammes CH4/O2 enrichies en vapeur d'eau à haute pression, et a notamment permis le développement d’une méthode d’évaluation des temps caractéristiques d’un système chimique. Dans un deuxième temps, une expérience numérique à l’aide d’un code DNS a été réalisée, afin de servir de référence pour tester a priori sur des configurations ATR plusieurs modèles RANS de combustion turbulente couramment utilisés dans le milieu industriel. / Syngas is a gaseous mixture mainly composed of CO and H2, which constitutes a major feedstock in petrochemical industry. Several industrial approaches are commonly used to produce it. Non catalytic Partial Oxidation (POX) and Steam Methane Reforming (SMR) are two of them. Autothermal Reforming (ATR) is a third process that combines both POX and SMR in the same reactor. A better knowledge of the reactive flow properties inside the chamber is required in order to improve the ATR process efficiency. Numerical simulation appears as an efficient tool to reach this goal. Because of the high CPU cost required for these simulations, RANS (Reynolds Average Numerical Simulation) formulation is usually preferred for the simulation of the whole chamber. This approach relies on the use of models, like the turbulent combustion model that aims at describing the interactions between turbulence and chemical reactions. Several approaches have been proposed to compute it, which benefit from a relatively wide experience for the simulation of classical combustion systems. However, ATR flames have some specific properties that make them quite different from these classical configurations, especially because of high pressure, reactants dilution with water and high global equivalence ratio. The validity of classical turbulent combustion models therefore requires to be assessed in ATR configurations. The objective of this thesis is to meet this need by testing the validity of several turbulent combustion models. The first part of this work has been to analyze water-enriched CH4/O2 flames properties at high pressure. In particular, a strategy for evaluating characteristic chemical time scales of a reactive system has been proposed within this context. In a second part, a DNS numerical experiment has been performed. Its results are then used as a benchmark for a priori testing several turbulent combustion models in the context of ATR reactor RANS simulations.