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

Ce travail consiste en une étude des phénomènes de coalescence dans un nuage de gouttes, par la simulation numérique directe d'un écoulement turbulent gazeux, couplée avec une approche de suivi Lagrangien pour la phase dispersée. La première étape consiste à développer et valider une méthode de détection des collisions pour une phase polydispersée. Elle est ensuite implémentée dans un code couplé de simulation directe et de suivi Lagrangien existant. Des simulations sont menées pour une turbulence homogène isotrope de la phase continue et pour des phases dispersées en équilibre avec le fluide. L'influence de l'inertie des gouttes et de la turbulence sur le taux de coalescence des gouttes est discutée dans un régime de coalescence permanente. Un aperçu est donné de la prise en compte d'autres régimes de collision et de coalescence entre gouttes. Ces simulations sont la base de développement et de validation des approches utilisées dans les calculs à l'échelle industrielle. En particulier, les résultats des simulations sont comparés avec les prédictions d'une approche Lagrangienne de type Monte-Carlo et de l'approche Eulerienne 'Direct Quadrature Method of Moments' (DQMOM). Différents types de fermeture des termes de coalescence sont validés. Les uns sont basés sur l'hypothèse de chaos-moléculaire, les autres sont capables de prendre en compte des corrélations de vitesses des gouttes avant la collision. Il est montré que cette derniere approche prédit beaucoup mieux le taux de coalescence par comparaison avec les résultats des simulations déterministes. / Coalescence in a droplet cloud is studied in this work by means of direct numerical simulation of the turbulent gas flow, which is coupled with a Lagrangian tracking of the disperse phase. In a first step, a collision detection algorithm is developed and validated, which can account for a polydisperse phase. This algorithm is then implemented into an existing code for direct numerical simulations coupled with a Lagrangian tracking scheme. Second, simulations are performed for the configuration of homogeneous isotropic turbulence of the fluid phase and a disperse phase in local equilibrium with the fluid. The influence of both droplet inertia and turbulence intensity on the coalescence rate of droplets is discussed in a pure permanent coalescence regime. First results are given, if other droplet collision outcomes than permanent coalescence (i.e. stretching and reflexive separation) are considered. These results show a strong dependence on the droplet inertia via the relative velocity of the colliding droplets at the moment of collision. The performed simulations serve also as reference data base for the development and validation of statistical modeling approaches, which can be used for simulations of industrial problems. In particular, the simulation results are compared to predictions from a Lagrangian Monte-Carlo type approach and the Eulerian 'Direct Quadrature Method of Moments' (DQMOM) approach. Different closures are validated for the coalescence terms in these approaches, which are based either on the assumption of molecular-chaos, or based on a formulation, which allows to account for the correlation of droplet velocities before collision by the fluid turbulence. It is shown that the latter predicts much better the coalescence rates in comparison with results obtained by the performed deterministic simulations.

The probability density function (PDF) approach is a powerful technique for large eddy simulation (LES) based modeling of turbulent reacting flows. In this approach, the joint-PDF of all reacting scalars is estimated by solving a PDF transport equation, thus providing detailed information about small-scale correlations between these quantities. The objective of this work is to further develop the LES/PDF approach for studying flame stabilization in supersonic combustors, and for soot modeling in turbulent flames. Supersonic combustors are characterized by strong shock-turbulence interactions which preclude the application of conventional Lagrangian stochastic methods for solving the PDF transport equation. A viable alternative is provided by quadrature based methods which are deterministic and Eulerian. In this work, it is first demonstrated that the numerical errors associated with LES require special care in the development of PDF solution algorithms. The direct quadrature method of moments (DQMOM) is one quadrature-based approach developed for supersonic combustion modeling. This approach is shown to generate inconsistent evolution of the scalar moments. Further, gradient-based source terms that appear in the DQMOM transport equations are severely underpredicted in LES leading to artificial mixing of fuel and oxidizer. To overcome these numerical issues, a new approach called semi-discrete quadrature method of moments (SeQMOM) is formulated. The performance of the new technique is compared with the DQMOM approach in canonical flow configurations as well as a three-dimensional supersonic cavity stabilized flame configuration. The SeQMOM approach is shown to predict subfilter statistics accurately compared to the DQMOM approach. For soot modeling in turbulent flows, an LES/PDF approach is integrated with detailed models for soot formation and growth. The PDF approach directly evolves the joint statistics of the gas-phase scalars and a set of moments of the soot number density function. This LES/PDF approach is then used to simulate a turbulent natural gas flame. A Lagrangian method formulated in cylindrical coordinates solves the high dimensional PDF transport equation and is coupled to an Eulerian LES solver. The LES/PDF simulations show that soot formation is highly intermittent and is always restricted to the fuel-rich region of the flow. The PDF of soot moments has a wide spread leading to a large subfilter variance. Further, the conditional statistics of soot moments conditioned on mixture fraction and reaction progress variable show strong correlation between the gas phase composition and soot moments. / text