Coal derived synthetic gas (syngas) fuel is a promising solution for today s increasing demand for clean and reliable power. Syngas fuels are primarily mixtures of H2 and CO, often with large amounts of diluents such as N2, CO2, and H2O. The specific composition depends upon the fuel source and gasification technique. This requires gas turbine designers to develop fuel flexible combustors capable of operating with high conversion efficiency while maintaining low emissions for a wide range of syngas fuel mixtures. Design tools often used in combustor development require data on various fundamental gas combustion properties. For example, laminar flame speed is often an input as it has a significant impact upon the size and static stability of the combustor. Moreover it serves as a good validation parameter for leading kinetic models used for detailed combustion simulations. Thus the primary objective of this thesis is measurement of laminar flame speeds of syngas fuel mixtures at conditions relevant to ground-power gas turbines. To accomplish this goal, two flame speed measurement approaches were developed: a Bunsen flame approach modified to use the reaction zone area in order to reduce the influence of flame curvature on the measured flame speed and a stagnation flame approach employing a rounded bluff body. The modified Bunsen flame approach was validated against stretch-corrected approaches over a range of fuels and test conditions; the agreement is very good (less than 10% difference). Using the two measurement approaches, extensive flame speed information were obtained for lean syngas mixtures at a range of conditions: 1) 5 to 100% H2 in the H2/CO fuel mixture; 2) 300-700 K preheat temperature; 3) 1 to 15 atm pressure, and 4) 0-70% dilution with CO2 or N2. The second objective of this thesis is to use the flame speed data to validate leading kinetic mechanisms for syngas combustion. Comparisons of the experimental flame speeds to those predicted using detailed numerical simulations of strained and unstrained laminar flames indicate that all the current kinetic mechanisms tend to over predict the increase in flame speed with preheat temperature for medium and high H2 content fuel mixtures. A sensitivity analysis that includes reported uncertainties in rate constants reveals that the errors in the rate constants of the reactions involving HO2 seem to be the most likely cause for the observed higher preheat temperature dependence of the flame speeds. To enhance the accuracy of the current models, a more detailed sensitivity analysis based on temperature dependent reaction rate parameters should be considered as the problem seems to be in the intermediate temperature range (~800-1200 K).

La vitesse de flamme laminaire représente une grandeur physique clé à mesurer car elle permet d'obtenir des données fondamentales sur la réactivité, la diffusivité et l'exothermicité du carburant. Elle est également un des paramètres utilisés pour le développement et la validation des mécanismes réactionnels détaillés ainsi que pour la modélisation de la combustion turbulente. Bien que cette grandeur physique ait fait l'objet de nombreuses études expérimentales depuis plusieurs décennies, sa méconnaissance sur des carburants multi-composant dans des conditions haute-pression et haute-température similaires à celles existantes dans les chambres de combustion reste un sujet d'actualité pour les industriels des secteurs automobile et aéronautique. Au cours de cette thèse, un brûleur de configuration bec Bunsen fonctionnant avec un prémélange gazeux combustible/air a été conçu pour produire une flamme laminaire à pression élevée tout en permettant la mesure par voie optique de la vitesse de flamme laminaire de carburants multi-composant (kérosène, biocarburants de seconde génération...). La mesure est basée sur la détection du contour de flamme par diverses diagnostics optiques comme la chimiluminescence OH*, la PLIF-OH et la PLIF-acétone/aromatique. En premier lieu, les mélanges de carburants purs gazeux (CH4) ou liquide (acétone) avec de l'air ont été étudiés pour valider le brûleur expérimental et la méthodologie de mesure de la vitesse de flamme laminaire par voie optique. Les évolutions de la vitesse de flamme laminaire pour des carburants de type kérosène (composants purs, surrogate LUCHE et Jet A-1) en fonction de la pression, température de préchauffage et richesse ont été ensuite étudiées et comparées avec des simulations numériques utilisant un mécanisme réactionnel détaillé. La dernière partie de la thèse est consacrée à l'étude de l'influence des composés oxygénés présents dans un biocarburant de seconde génération de type d'essence sur la vitesse de flamme laminaire. Après avoir mesuré la vitesse de flamme laminaire de différentes molécules oxygénées, les effets d'addition de ces composés oxygénés dans le carburant ont été quantifiés / Laminar flame speed is one of the key parameters for understanding reactivity, diffusivity and exothermicity of fuels. It is also useful to validate both the kinetic chemical mechanisms as well as turbulent models. Although laminar flame speeds of many types of fuels have been investigated over many decades using various combustion methodologies, accurate measurements of laminar flame speeds of multicomponent liquid fuels in high-pressure and high-temperature conditions similar to the operating conditions encountered in aircraft/automobile combustion engines are still required. In this current study, a high-pressure combustion chamber was specifically developed to measure the laminar flame speed of multicomponent liquid fuels such as kerosene and second generation of biofuels. The architecture of the burner is based on a preheated premixed Bunsen flame burner operated in elevated pressure and temperature conditions. The optical diagnostics used to measure the laminar flame speed are based on the detection of the flame contour by using OH* chemiluminescence, OH- and acetone/aromatic- Planar laser induced fluorescence (PLIF). The laminar flame speed of gaseous CH4/air and acetone/air premixed laminar flames were first measured for validating the experimental setup and the measurement methodologies. Then, the laminar flame speeds of kerosene or surrogate fuels (neat kerosene compounds, LUCHE surrogate kerosene and Jet A-1) were investigated and compared with simulation results using detailed kinetic mechanisms over a large range of conditions including pressure, temperature and equivalence ratio. The last part of the thesis was devoted to study the effect of oxygenated compounds contained in the second generation of biofuels on the laminar flame speeds. After measuring the laminar flame speeds of various oxygenated components present in partially hydro-processed lignocellulosic biomass pyrolysis oils, the effect of these oxygenates on the flame speeds of these fuels were quantitatively investigated

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.

This thesis investigates the laminar flame speed of C₁-C₃ alkanes and their binary mixtures at conditions of interest in natural gas based gas turbines viz. high temperature, pressure and dilution. Laminar flame speed has been found useful not only for validating chemical kinetics mechanisms but also for developing empirical scaling laws for practical combustion systems. The thesis addresses the lack of laminar flame speed data of C₁-C₃ alkanes at preheat (300-650 K), pressure (1-10 atm) and significant oxidizer dilution (15-21 vol% O₂). Over 400 measurements are reported over a wide range of conditions along with comparison to predictions from leading chemical mechanisms. Unstretched flame speed measurements were performed using a modified Bunsen flame technique based on reaction zone area from chemiluminescence imaging, whereas the strain sensitivity measurements were performed using a bluff-body stabilized stagnation flame with high resolution PIV. These measurements are used to: (i) discern the uncertainties associated with the measurements, (ii) understand the effect of fuel mixture and vitiation on flame speed, and (iii) validate the performance of the leading chemical kinetics mechanisms. Extensive testing shows the unstretched flame speed measurements from the modified Bunsen technique are reasonably accurate. Vitiation studies for methane and propane flames at high preheat show the reduction in flame speed results primarily from the thermal effect of the diluent and that the relative change in flame speed from the undiluted mixture is well correlated to the fractional change in the adiabatic flame temperature over a range of conditions. Significant difference in the measured and predicted flame speeds were observed for rich, atmospheric pressure, propane and lean, high pressure, methane/ethane mixtures with dilution. This highlights possible avenues for improvements in the chemical kinetics mechanisms. Systematic errors were also identified in the Bunsen flame measurements at certain conditions, such as for rich flames with dilution, indicating a need for better understanding of the Bunsen flame technique at these conditions. The difference in the measured and predicted flame speed does not show any clear correlation with the flame height or the strain sensitivity of the mixture. Finally previously proposed mixing rules for estimating flame speed of fuel mixtures from pure fuel components are shown to be reasonably accurate over a range of pressure, reactant temperature and dilution conditions.

[pt] O fenômeno de retorno de chama em tubos é conhecido e estudado há várias décadas. Sua análise clássica é baseada na determinação do gradiente de velocidade crítico, Gc, que o delimita como função das propriedades das misturas combustíveis. Entretanto, não é conhecido o efeito da diluição por CO2, importante para a previsão da segurança das instalações do pré-sal. Por isto, são aqui desenvolvidos estudos específicos do retorno de chamas pré-misturadas em escoamentos laminares. O objetivo geral deste trabalho é determinar experimentalmente a influência da diluição por CO2 sobre o retorno de chamas (flashback) em misturas de hidrocarbonetos (CH4 ou propano) e de ar. O levantamento do estado da arte permitiu especificar as características da instalação experimental para o estudo deste fenômeno e, também, identificar as principais questões a serem abordadas. Foi projetado e construído um aparato experimental para o estudo do flashback em escoamentos laminares. Os resultados originais obtidos mostram como a propensão ao retorno de chama é influenciada pela natureza do combustível, pela estequiometria da mistura e pela diluição. Misturas de propano possuem maior propensão ao flashback e maiores valores de Gc do que as de metano. Também foi mostrado que há uma redução da propensão ao flashback com o aumento da diluição. Esta propensão foi relacionada aos números adimensionais que caracterizam a combustão, isto é, os números de Lewis, Péclet, Karlovitz e Zel dovich. Para este último, uma proposta original visando sua determinação é apresentada, que envolve uma expressão da taxa de liberação de calor da reação química global controlada por uma variável de progresso. Esta formulação permite resolver o problema da singularidade na região da estequiometria. / [en] The flashback phenomenon in tubes has been known and studied for several decades. Its classical analysis is based on the determination of the critical velocity gradient, Gc, which delimits it as a function of the fuel mixture properties. However, the effect of the CO2 dilution is not known, which is important for predicting the safety of pre-salt facilities. For this reason, specific studies of premixed flame flashback in laminar flows are developed here. The general objective of this work is to experimentally determine the influence of CO2 dilution on flame flashback in mixtures of hydrocarbons (CH4 and propane) and air. The state of the art research made it possible to specify the characteristics of the experimental installation for this phenomenon study and, also, to identify the main issues to be addressed. An experimental apparatus was designed and built to study the flame flashback in laminar flows. The original results obtained show how the propensity of the flame flashback is influenced by the nature of the fuel, the stoichiometry of the mixture, and the dilution. Propane mixtures have a greater propensity for flashback and higher values of Gc than those of methane. It has also been shown that there is a reduction in the propensity of flashback with increasing dilution. This propensity was related to the dimensionless numbers that characterize combustion, that is, the Lewis, Péclet, Karlovitz, and Zel dovich numbers. For the latter, an original proposal aimed at its determination is presented, which involves an expression of the heat release rate from the global chemical reaction controlled by a progress variable.

No description available.

<p dir="ltr">Counterflow diffusion flames have been studied in depth as a one-dimensional flame, and are often used to study chemical kinetics, soot formation, and extinction and ignition characteristics of flames because of the low computing costs associated with one dimensional computations. Further, strained flames have been used in models of turbulent flames with the assumption that the underlying chemistry can be represented by a limited number of variables. Detailed three dimensional simulations of H₂/CH₄/air counterflow diffusion flames are performed using CONVERGE CFD [41] and compared to one dimensional simulation and experimental Dual-Pump Coherent anti-Stokes Raman Scattering (DPCARS) measurements of temperature and normalized mole fractions of H₂ and O₂[37]. The multi-dimensional effects of differential and advective diffusion are explored. The effects of boundary conditions far from the centerline axis of the burner one flow field and flame shape are investigated.</p>

Le moteur HCCI pourrait être une alternative intéressante aux procédés de combustion conventionnels. Néanmoins, le contrôle de la combustion reste difficile dans ce moteur car, contrairement au moteur essence et Diesel, celui-ci est directement contrôlé par la chimie d’oxydation du combustible. Une connaissance très précise des modèles cinétiques détaillés de l’oxydation du carburant est donc indispensable pour pouvoir contrôler ce mode de combustion. L’objectif de cette thèse était de développer et valider expérimentalement des modèles cinétiques d’oxydation à haute température de 3 molécules modèles du gazole en utilisant un brûleur à flamme plate laminaire comme dispositif expérimental. Cette étude présente de nouveaux résultats expérimentaux obtenus sur une flamme laminaire pauvre pré mélangée de méthane ensemencée respectivement avec du n butylbenzène, du n propylcyclohexane et de l’indane. Un modèle cinétique d’oxydation a été développé et validé à haute température pour le n butylbenzène et un autre a été validé en flamme pour le n propylcyclohexane. Dans l’ensemble, ces modèles ont permis de simuler correctement les profils de la plupart des produits mesurés en flamme. Par ailleurs, un modèle cinétique qualitatif d’oxydation pour l’indane a été proposé / The HCCI engine could be an interesting alternative to conventional combustion processes. However, the control of the combustion remains difficult in this engine because, unlike the gasoline and diesel engine, it is directly related to the chemical oxidation of fuel. The development of accurate detailed kinetic models of the oxidation of fuel is therefore essential to control this mode of combustion. The aim of this PhD was to develop and experimentally validate high temperature kinetic oxidation models for 3 molecules representative of diesel fuel by using a flat flame burner experimental device. This study presents new experimental results obtained in a lean laminar premixed methane flame seeded respectively with n butylbenzene, n propylcyclohexane and indane. A kinetic oxidation model was developed and validated at high temperature for n-butylbenzene and another one was validated in flame for n propylcyclohexane. Overall, the models correctly simulated the profiles of most products measured in the flames. Moreover, a qualitative kinetic model for the oxidation of indane has been proposed

Tesis por compendio / [ES] El objetivo principal de esta tesis es establecer una metodología para predecir el consumo de combustible y las emisiones de un motor de encendido por compresión en condiciones transitorias. Además, su objetivo es explorar cómo las diferentes configuraciones del motor y los factores ambientales impactan el comportamiento del motor utilizando un enfoque de modelado 0D/1D. Además, el estudio pretende extender esta metodología a los motores duales, analizando específicamente las características de combustión de metano-diésel e hidrógeno-diésel. Para lograrlo, la herramienta de modelado 0D/1D se ajustó y validó meticulosamente utilizando un motor diésel de cuatro cilindros. Esta alineación entre la simulación y datos experimentales se centró especialmente en factores cruciales como la presión, la liberación de calor, las temperaturas en los fluidos del motor y el par. Se realizó un análisis exhaustivo del Balance Energético Global (GEB) utilizando VEMOD (Virtual Engine Model). Este análisis proporcionó información detallada sobre el consumo del motor y su reacción en diversas condiciones de funcionamiento, particularmente durante el Ciclo de ensayo mundial armonizado de vehículos ligeros (WLTC). La comparación de términos energéticos entre diferentes condiciones ambientales y de motor destacó aspectos como la fricción, la transferencia de calor y la acumulación de calor. Además, el análisis GEB permitió explorar cómo se distribuía la energía con diferentes temperaturas y altitudes ambientes. El estudio también evaluó las emisiones de NOx, revelando patrones influenciados por factores como las tasas de recirculación de gases de escape (EGR) y la temperatura de admisión. En el ámbito de los motores de combustible dual, se elaboró y validó un modelo de combustión utilizando la herramienta de simulación 0D/1D. La atención inicial se centró en la combustión de metano-Diesel, validada con datos experimentales. Posteriormente, el alcance de este modelo se amplió para simular la combustión de hidrógeno-Diesel. Esta tesis ha introducido con éxito una metodología que utiliza VEMOD para predecir el consumo y las emisiones del motor en distintos escenarios. El análisis exhaustivo arrojó luz sobre cómo funcionan los mecanismos de distribución de energía y cómo diferentes factores influyen en el comportamiento del motor. La aplicación de esta metodología a motores de encendido por compresión ha demostrado su versatilidad y capacidad de predicción, lo que la convierte en una herramienta valiosa para investigar escenarios futuros, también con combustiones duales. / [CA] L'objectiu principal d'aquesta tesi és establir una metodologia per predir el consum de combustible i les emissions d'un motor d'encesa per compressió en condicions transitòries. A més, pretén explorar com diferents configuracions de motors i factors ambientals afecten el comportament del motor mitjançant un enfocament de modelització 0D/1D. A més, l'estudi s'esforça a estendre aquesta metodologia als motors de doble combustible (duals), analitzant específicament les característiques de combustió de metà-dièsel i hidrogendièsel. Per aconseguir-ho, l'eina de modelització 0D/1D es va ajustar minuciosament i es va validar mitjançant un motor dièsel de quatre cilindres. Aquesta alineació entre dades de simulació i món real es va centrar especialment en factors crucials com la pressió, l'alliberament de calor, les temperatures dels fluids del motor i el parell. Es va realitzar una anàlisi completa del Balanç Global d'Energia (GEB) mitjançant VEMOD (Virtual Engine Model). Aquesta anàlisi va proporcionar una visió profunda sobre el consum del motor i la seua reacció en diverses condicions de funcionament, especialment durant el Cicle mundial d'assaig de vehicles lleugers harmonitzats (WLTC). La comparació de termes energètics entre diferents condicions ambientals i del motor van posar de manifest aspectes com la fricció, la transferència de calor i l'acumulació de calor. A més, l'anàlisi GEB va explorar com es va distribuir l'energia amb diferents temperatures i altituds ambientals. L'estudi també va valorar les emissions de NOx, revelant patrons influenciats per factors com la recirculació de gasos d'escapament (EGR) i la temperatura d'admissió. En l'àmbit dels motors duals, es va elaborar i validar un model de combustió mitjançant l'eina de simulació 0D/1D. El focus inicial es va centrar en la combustió metà-Diesel, validada amb dades experimentals. Posteriorment, l'abast d'aquest model es va ampliar per simular la combustió hidrogen-Diesel. Aquesta tesi ha introduït amb èxit una metodologia que utilitza VEMOD per predir el consum i les emissions del motor en diferents escenaris. L'anàlisi completa va donar llum a com funcionen els mecanismes de distribució d'energia i com diferents factors influeixen en el comportament del motor. L'aplicació d'aquesta metodologia als motors d'encesa per compressió va demostrar la seva versatilitat i capacitats de predicció, convertint-la en una valuosa eina per investigar els futurs escenaris, fins i tot amb combustions duals. / [EN] The main aim of this thesis is to establish a methodology for predicting fuel consumption and emissions of a compression ignition engine in transient conditions. Additionally, it aims to explore how different engine setups and environmental factors impact the engine's performance using a 0D/1D modelling approach. Moreover, the study strives to extend this methodology to dual fuel engines, specifically analysing methane-Diesel and hydrogen- Diesel combustion characteristics. The 0D/1D modelling tool was meticulously fine-tuned and validated using a four-cylinder Diesel engine to achieve this. This alignment between simulation and experimental data focused on crucial factors such as pressure, heat release, engine fluid temperatures and torque. A comprehensive Global Energy Balance (GEB) analysis was conducted using VEMOD (Virtual Engine Model). This analysis provided insights into the engine consumption and performance under diverse operating conditions, particularly during the Worldwide Harmonized Light Vehicles Test Cycle (WLTC). The comparison of energy terms across different engine and boundary conditions highlighted aspects such as friction, heat rejection, and heat accumulation. Additionally, the GEB analysis allowed exploration of how energy was split across varying ambient temperatures and altitudes. The study also assessed NOx emissions, revealing patterns influenced by factors such as Exhaust Gas Recirculation (EGR) rates and intake temperature. A combustion model was developed and validated using the 0D/1D simulation tool in the scope of dual fuel engines. The initial focus was on methane-Diesel combustion, validated against experimental data. Subsequently, this model scope was expanded to simulate hydrogen-Diesel combustion. This thesis has successfully introduced a methodology based on VEMOD to predict engine consumption and emissions across varying scenarios. The comprehensive analysis illuminated how energy distribution mechanisms operate and how factors influence engine performances. The application of this methodology to compression ignition engines demonstrated its versatility and prediction capabilities, making it a valuable tool for investigating future combustion scenarios, including dual fuel operation. / This research has been partially funded by the European Union’s Horizon 2020 Framework Programme for research, technological development and demonstration under grant agreement 723976 (“DiePeR”) and by the Spanish government under the grant agreement TRA2017-89894-R (”MECOEM”) and I was supported by FPI grant with reference PRE2018-084411. / Artham, S. (2023). Contribution to the simulation of new standard testing cycles by means of a 0D/1D tool [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/201238 / Compendio