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The propagation of premixed flames in turbulent flows is a problem of wide physical and technological interest, with a significant literature on their propagation speed and front topology. While certain scalings and parametric dependencies are well understood, a variety of problems remain. One major challenge, and focus of this thesis, is to model the influence of fuel/oxidizer composition on turbulent burning rates. Classical explanations for augmentation of turbulent burning rates by turbulent velocity fluctuations rely on global arguments - i.e., the turbulent burning velocity increase is directly proportional to the increase in flame surface area and mean local burning rate along the flame. However, the development of such global approaches is complicated by the abundance of phenomena influencing the propagation of turbulent premixed flames. Emphasizing key governing processes and cutting-off interesting but marginal phenomena appears to be necessary to make further progress in understanding the subject. An alternative approach to understand turbulent augmentation of burning rates is based upon so-called "leading points", which are intrinsically local properties of the turbulent flame. Leading points concepts suggest that the key physical mechanism controlling turbulent burning velocities of premixed flames is the velocity of the points on the flame that propagate farthest out into the reactants. It is postulated that modifications in the overall turbulent combustion speed depend solely on modifications of the burning rate at the leading points since an increase (decrease) in the average propagation speed of these points causes more (less) flame area to be produced behind them. In this framework, modeling of turbulent burning rates can be thought as consisting of two sub-problems: the modeling of (1) burning rates at the leading points and of (2) the dynamics/statistics of the leading points in the turbulent flame. The main objective of this thesis is to critically address both aspects, providing validation and development of the physical description put forward by leading point concepts. To address the first sub-problem, a comparison between numerical simulations of one-dimensional laminar flames in different geometrical configurations and statistics from a database of direct numerical simulations (DNS) is detailed. In this thesis, it is shown that the leading portions of the turbulent flame front display a structure that on average can be reproduced reasonably well by results obtained from model geometries with the same curvature. However, the comparison between model laminar flame computations and highly curved flamelets is complicated by the presence of negative (i.e., compressive) strain rates, due to gas expansion. For the highest turbulent intensity investigated, local consumption speeds, curvatures, strain rates and flame thicknesses approach the maximum values obtained by the laminar model geometries, while other cases display substantially lower values. To address the second sub-problem, the dynamics of flame propagation in simplified flow geometries is studied theoretically. Utilizing results for Hamilton-Jacobi equations from the Aubry-Mather theory, it is shown how the overall flame front progation under certain conditions is controlled only by discrete points on the flame. Based on these results, definitions of leading points are proposed and their dynamics is studied. These results validate some basic ideas from leading points arguments, but also modify them appreciably. For the simple case of a front propagating in a one-dimensional shear flow, these results clearly show that the front displacement speed is controlled by velocity field characteristics at discrete points on the flame only when the amplitude of the shear flow is sufficiently large and does not vary too rapidly in time. However, these points do not generally lie on the farthest forward point of the front. On the contrary, for sufficiently weak or unsteady flow perturbations, the front displacement speed is not controlled by discrete points, but rather by the entire spatial distribution of the velocity field. For these conditions, the leading points do not have any dynamical significance in controlling the front displacement speed. Finally, these results clearly show that the effects of flame curvature sensitivity in modifying the front displacement speed can be successfully interpreted in term of leading point concepts.

Numerical simulations have proven itself as a significant and powerful tool for accurate prediction of turbulent premixed flames in practical engineering devices. The work presented in this thesis concerns the development of simulation techniques for premixed turbulent combustion of three different fuels, namely, CNG, LPG and Hydrogen air mixtures. The numerical results are validated against published experimental data from the newly built Sydney combustion chamber. In this work a newly developed Large Eddy Simulation (LES) CFD model is applied to the new Sydney combustion chamber of size 50 x 50 x 250 mm (0.625 litre volume). Turbulence is generated in the chamber by introducing series of baffle plates and a solid square obstacle at various axial locations. These baffles can be added or removed from the chamber to adapt various experimental configurations for studies. This is essential to understand the flame behaviour and the structure. The LES numerical simulations are conducted using the Smagorinsky eddy viscosity model with standard dynamic procedures for sub-grid scale turbulence. Combustion is modelled by using a newly developed dynamic flame surface density (DFSD) model based on the flamelet assumption. Various numerical tests are carried out to establish the confidence in the LES based combustion modelling technique. A detailed analysis has been carried out to determine the regimes of combustion at different stages of flame propagation inside the chamber. The predictions using the DFSD combustion model are evaluated and validated against experimental measurements for various flow configurations. In addition, the in-house code capability is extended by implementing the Lewis number effects. The LES predictions are identified to be in a very good agreement with the experimental measurements for cases with high turbulence levels. However, some disagreement were observed with the quasi-laminar case. In addition a data analysis for experimental data, regarding the overpressure, flame position and the flame speed is carried out for the high and low turbulence cases. Moreover, an image processing procedure is used to extract the flame rate of stretch from both the experimental and numerical flame images that are used as a further method to validate the numerical results. For the grids under investigation, it is concluded that the employed grid is independent of the filter width and grid resolution. The applicability of the DFSD model using grid-independent results for turbulent premixed propagating flames was examined by validating the generated pressure and other flame characteristics, such as flame position and speed against experimental data. This study concludes that the predictions using DFSD model provide reasonably good results. It is found that LES predictions were slightly improved in predicting overpressure, flame position and speed by incorporating the Lewis number effect in the model. Also, the investigation demonstrates the effects of placing multiple obstacles at various locations in the path of the turbulent propagating premixed flames. It is concluded that the pressure generated in any individual configuration is directly proportional to the number of baffles plates. The flame position and speed are clearly dependent on the number of obstacles used and their blockage ratio. The flame stretch extracted from both the experimental and numerical images shows that hydrogen has the highest stretch values over CNG and LPG. Finally, the regime of combustion identified for the three fuels in the present combustion chamber is found to lie within the thin reaction zone. This finding supports the use of the laminar flamelet modelling concept that has been in use for the modelling of turbulent premixed flames in practical applications.

The interactions between laminar premixed flames and counter-rotating vortex pairs in natural and synthetic gas mixtures have been computationally investigated through the use of Direct Numerical Simulations and parallel processing. Using a computational model for premixed combustion, laminar flames are simulated for single- and two-component fuel mixtures of methane, carbon monoxide, and hydrogen. These laminar flames are forced to interact with superimposed laminar vortex pairs, which mimic the effects of a pulsed, two-dimensional slot-injection. The premixed flames are parameterized by their unstretched laminar flame speed, heat release, and flame thickness. The simulated vortices are of a fixed size (relative to the flame thickness) and are parameterized, solely, by their rotational velocity (relative to the flame speed). Strain rate and surface curvature measurements are made along the stretched flame surfaces to study the effects of additive syngas species (CO and H2) on lean methane-air flames. For flames that share the same unstretched laminar flame speed, heat release, and flame thickness, it is observed that the effects of carbon monoxide on methane-air mixtures are essentially negigible while the effects of hydrogen are quite substantial. The dynamics of stretched CH4/Air and CH4/CO/Air flames are nearly identical to one another for interactions with both strong and weak vortices. However, the CH4/H2/Air flames demonstrate a remarkable tendency toward surface area growth. Over comparable interaction periods, the flame surface area produced during interactions with CH4/H2/Air flames was found to be more than double that of the pure CH4/Air flames. Despite several obvious differences, all of the interactions revealed the same basic phenomena, including vortex breakdown and flame pinch-off (i.e. pocket formation). In general, the strain rate and surface curvature magnitudes were found to be lower for the CH4/H2/Air flames, and comparable between CH4/Air and CH4/CO/Air flames. Rates of flame stretching are not explicitely determined, but are, instead, addressed through observation of their individual components. Two different models are used to determine local displacement speed values. A discrepancy between practical and theoretical definitions of the displacement speed is evident based on the instantaneous results for CH4/Air and CH4/H2/Air flames interacting with weak and strong vortices.

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The laminar burning velocity is an important fundamental property of a fuel-air mixture at given conditions of temperature and pressure. Knowledge of burning velocities is required as an input for combustion models, including engine simulations, and the validation of chemical kinetic mechanisms. It is also important to understand the effect of stretch upon laminar flames, to correct for stretch and determine true (unstretched) laminar burning velocities, but also for modelling combustion where stretch rates are high, such as turbulent combustion models. A constant volume combustion vessel has been used in this work to determine burning velocities using two methods: a) flame speed measurements during the constant pressure period, and b) analysis of the pressure rise data. Consistency between these two techniques has been demonstrated for the first time. Flame front imaging and linear extrapolation of flame speed has been used to determine unstretched flame speeds at constant pressure and burned gas Markstein lengths. Measurement of the pressure rise during constant volume combustion has been used along with a numerical multi-zone combustion model to determine burning velocities for elevated temperatures and pressures as the unburned gas ahead of the spherically expanding flame front is compressed isentropically. This burning velocity data is correlated using a 14 term correlation to account for the effects of equivalence ratio, temperature, pressure and fraction of diluents. This correlation has been modified from an existing 12 term correlation to more accurately represent the dependence of burning velocity upon temperature and pressure. A number of fuels have been tested in the combustion vessel. Biogas (mixtures of CH₄ and CO₂) has been tested for a range of equivalence ratios (0.7–1.4), with initial temperatures of 298, 380 and 450 K, initial pressures of 1, 2 and 4 bar and CO₂ fractions of up to 40% by mole. Hydrous ethanol has been tested at the same conditions (apart from 298 K due to the need to vaporise the ethanol), and for fractions of water up to 40% by volume. Binary, ternary and quaternary blends of toluene, n-heptane, ethanol and iso-octane (THEO) have been tested for stoichiometric mixtures only, at 380 and 450 K, and 1, 2 and 4 bar, to represent surrogate gasoline blended with ethanol. For all fuels, correlation coefficients have been obtained to represent the burning velocities over wide ranging conditions. Common trends are seen, such as the reduction in burning velocity with pressure and increase with temperature. In the case of biogas, increasing CO₂ results in a decrease in burning velocity, a shift in peak burning velocity towards stoichiometric, a decrease in burned gas Markstein length and a delayed onset of cellularity. For hydrous ethanol the reduction in burning velocity as H₂O content is increased is more noticeably non-linear, and whilst the onset of cellularity is delayed, the effect on Markstein length is minor. Chemical kinetic simulations are performed to replicate the conditions for biogas mixtures using the GRI 3.0 mechanism and the FlameMaster package. For hydrous ethanol, simulations were performed by Carsten Olm at Eötvös Loránd University, using the OpenSMOKE 1D premixed flame solver. In both cases, good agreement with experimental results is seen. Tests have also been performed using a single cylinder optical engine to compare the results of the hydrous ethanol tests with early burn combustion, and a good comparison is seen. Results from tests on THEO fuels are compared with mixing rules developed in the literature to enable burning velocities of blends to be determined from knowledge of that of the pure components alone. A variety of rules are compared, and it is found that in most cases, the best approximation is found by using the rule in which the burning velocity of the blend is represented by weighting by the energy fraction of the individual components.

High-pressure experiments and chemical kinetics modeling were performed for laminar spherically expanding flames for methane/air, ethane/air, methane/ethane/air and propane/air mixtures at pressures between 1 and 10 atm and equivalence ratios ranging from 0.7 to 1.3. All experiments were performed in a new flame speed facility capable of withstanding initial pressures up to 15 atm. The facility consists of a cylindrical pressure vessel rated up to 2200 psi. Vacuums down to 30 mTorr were produced before each experiment, and mixtures were created using the partial pressure method. Ignition was obtained by an automotive coil and a constant current power supply capable of reducing the spark energy close to the minimum ignition energy. Optical cine-photography was provided via a Z-type schlieren set up and a high-speed camera (2000 fps). A full description of the facility is given including a pressure rating and a computational conjugate heat transfer analysis predicting temperature rises at the walls. Additionally, a detailed uncertainty analysis revealed total uncertainty in measured flame speed of approximately +-0.7 cm/s. This study includes first-ever measurements of methane/ethane flame speeds at elevated pressures as well as unique high pressure ethane flame speed measurements. Three chemical kinetic models were used and compared against measured flame velocities. GRI 3.0 performed remarkably well even for high-pressure ethane flames. The C5 mechanism performed acceptably at low pressure conditions and under-predicted the experimental data at elevated pressures. Measured Markstein lengths of atmospheric methane/air flames were compared against values found in the literature. In this study, Markstein lengths increased for methane/air flames from fuel lean to fuel rich. A reverse trend was observed for ethane/air mixtures with the Markstein length decreasing from fuel lean to fuel rich conditions. Flame cellularity was observed for mixtures at elevated pressures. For both methane and ethane, hydrodynamic instabilities dominated at stoichiometric conditions. Flame acceleration was clearly visible and used to determine the onset of cellular instabilities. The onset of flame acceleration for each high-pressure experiment was recorded.

Dans un contexte de diminution des émissions polluantes émises par les moteurs à combustion interne, le secteur des transports assiste à une amélioration des motorisations mais également à une diversification des carburants pour l’automobile. L’utilisation de ces différents carburants entraîne souvent un impact sur les performances de la combustion. Dans le cas du moteur à allumage commandé, la performance dépend du dégagement d’énergie, image de la vitesse de la combustion, soit du front de flamme consommant le mélange air-carburant. Or toute flamme en expansion est théoriquement soumise à des effets de courbure et de cisaillement, toutes deux contributions de l’étirement. La réponse à l’étirement étant propre à chaque type de mélange air-carburant (lié au carburant proprement dit, à la richesse du mélange, à la dilution …), ce travail de thèse est centré sur la compréhension de l’impact de l’étirement sur les performances des carburants dans les moteurs à allumage commandé. Pour cela, différents mélanges air-carburant similaires du point de vue des propriétés thermodynamiques et des vitesses fondamentales de combustion laminaire mais avec des sensibilités à l’étirement différentes ont été sélectionnés. Ces mélanges ont ensuite été étudiés dans différentes configurations expérimentales et à l’aide de différentes techniques de mesure: moteur monocylindre opaque et à accès optiques, chambre sphérique de combustion turbulente. Les résultats montrent que les propriétés de sensibilités à l’étirement déterminées en régime laminaire comme la longueur de Markstein et le nombre de Lewis sont indicatrices du comportement des mélanges en combustion turbulente, comme dans la chambre de combustion caractéristique des moteurs à allumage commandé, et sont des paramètres à prendre en considération afin de prédire les performances plus globales de ces carburants que ce soit expérimentalement qu’en simulation. / In a context of decreasing pollutant emissions, the transport sector is facing an improvement of engine concept as well as a fuel diversification. The use of these different fuels often involves an impact on the combustion performance itself. In the case of Spark ignition engine, the efficiency is a function of the released heat, image of the combustion speed, i.e. the flame front speed consuming the air-fuel mixture. It is well known that every expanding flame is submitted to flame curvature and strain rate which are both contributors to flame stretch. As the answer of each air-fuel mixture (i.e. the fuel itself, the equivalence ratio, the dilution …) is different to flame stretch, the objective of this work is to understand flame stretch impact on fuel performance in Spark-Ignition engines. To achieve this goal, different fuel-air mixtures with similar unstretched laminar burning speed and thermodynamic properties but different responses to stretch were selected. Those mixtures were then studied with different experimental devices with different measurement techniques: single-cylinder metallic and optical engines, turbulent combustion spherical vessel. Results show that flame stretch sensitivity properties such as Markstein length and Lewis number, determined in laminar combustion regime, are relevant parameters to describe the flame propagation in turbulent combustion as in the combustion chamber of the Spark-Ignition engine and need to be taken into consideration to evaluate global performance of these fuels, experimentally and also in modeling simulation.