Lean premixed combustion is at present one of the most promising methods to reduce emissions and to maintain high efficiency in combustion systems. As the emission legislation becomes more stringent, modelling of turbulent premixed combustion has become an important tool for designing efficient and environmentally friendlier combustion systems. However, in order to predict these emissions reliable predictive models are required. One of the methods used for predicting pollutants is the conditional moment closure (CMC), which is suitable to predict pollutants with slow time scales. Despite the fact that CMC has been successfully applied to various non-premixed combustion systems, its application to premixed flames is not fully tested and validated. The main difficulty is associated with the modelling of the conditional scalar dissipation rate (CSDR) of the conditioning scalar, the progress variable. In premixed CMC, this term is an important quantity and represents the rate of mixing at small scales of relevance for combustion. The numerical accuracy of the CMC method depends on the accuracy of the CSDR model. In this study, two different models for CSDR, an algebraic model and an inverse problem model, are validated using two different DNS data sets. The algebraic model along with standard k-ε turbulence modelling is used in the computations of stoichiometric and very lean pilot stabilized Bunsen flames using the RANS-CMC method. A first order closure is used for the conditional mean reaction rate. The computed nonreacting and reacting scalars are in reasonable agreement with the experiments and are consistent with earlier computations using flamlets and transported PDF methods for the stoichiometric flames, and transported PDF methods for the very lean flames. Sensitivity to chemical kinetics mechanism is also assessed.

This work addresses the application of non-premixed filtered tabulated chemistry as a turbulent combustion modeling strategy in the LES framework. On the first part of this study the effects of the filtering operation on non-premixed flamelets are carefully appraised, considering an individual flamelet and the entire manifold. Subsequently, a systematic approach is followed where first the numerical implementation is verified. Afterwards validation is done on a coflow laminar diffusion flame, where promising results encourage the further model appraisal on a more complex turbulent configuration. This is finally achieved under turbulent conditions of Flames D and E, where the formalism including a SGS wrinkling modeling function adequately describes the wrinkled flame front features. The formalism assessment on a laminar coflow diffusion flame reveals a considerable sensitivity to the flame dimensionality. A flame sensor based on the mixture fraction gradient, with a tolerance to take into account the numerical grid resolution, is introduced and proves to deliver satisfactory results. The sensor-determined model activation allows to adequately represent the underlying physics behind flame filtering and so it endorses the consistency of the numerical procedure. The evaluation of the non-premixed FTACLES model on turbulent flames D and E demonstrates that the formalism coupling with a SGS wrinkling modeling function can adequately describe the wrinkled flame front condition. The model performs significantly well employing a three-dimensional tabulation strategy, where the numerical grid is coupled with the model by the third parameter, i.e. the computational cell size. The predictions for both the major stable species and the minor ones accurately correspond with the undergoing physics. The obtained results have a deep theoretical implication for the combustion research. First, they confirm the idea that SGS closure in diffusive combustion can be derived based on filtering arguments, and not only based on statistical approaches. Second, they demonstrate the enormous potential of the non-premixed FTACLES formalism once a sound flame sensor and a SGS wrinkling modeling function are included. / Doctorat en Sciences de l'ingénieur et technologie / info:eu-repo/semantics/nonPublished

Controlling ignition timing and flame stabilization is one of the most outstanding challenges limiting the development of modern, efficient and low-emission compression ignition engines (CIEs). In this study, the role of turbulence on two-stage ignition dynamics and subsequent flame stabilization at diesel engine conditions is assessed by performing direct numerical simulations in a simplified inflow-outflow premixed configuration. The thermochemical conditions are chosen to match those of the most reactive mixture in the Engine Combustion Network’s n-dodecane Spray A flame (temperature of 813 K, pressure of 60 atm, equivalence ratio of 1.3, and with 15% vol. O2 in the ambient gas). Inflow velocities 4 to 16 times larger than the laminar flame speed are considered. As a result, in the absence of turbulence, ignition and flame stabilization are controlled by advection and chemistry, diffusion being negligible. Ignition delays match those of the homogeneous reactor and both the cool flame, due to low-temperature chemistry (LTC), and the hot flame, due to high-temperature chemistry (HTC), are spontaneous ignition fronts. Turbulence alters this picture in two ways. First, the second-stage (HTC) ignition delay is increased considerably, in contrast with the first-stage (LTC) ignition delay, which remains virtually unaffected. Second, a sufficiently high turbulence intensity makes the cool spontaneous ignition front transition to a cool deflagration which moves upstream to the inlet, while the hot flame is pushed downstream, still stabilized by spontaneous ignition. The latter phenomenon is caused by the reduced reactivity of LTC products as the cool flame transitions from spontaneous ignition to deflagration. Further increasing the turbulence intensity leads to both cool and hot flames transitioning to deflagrations. For the hot flame, the mechanism governing this transition is the increase in magnitude of progress variable gradient under increased turbulence or reduced inflow velocity, while in cool flames it is mainly due to the reduction in chemical source terms. In addition to turbulence intensity, the role of inflow velocity, integral length scale, and oxygen concentration level on this transition is assessed and modeling challenges are discussed. Finally, a chemical explosive mode analysis is provided to further characterise the ignition and transition phenomena. The present results highlight important fundamental roles of turbulence expected to modulate CIE combustion dynamics.

Electric fields can be used to change and control flame properties, for example changing flame speed, enhancing flame stability, or reducing pollutant emission. The ions generated in flames are believed to play the primary role. Although experiments have been carried out to study electric field enhanced combustion, they are not sufficient to explain how the ions in a flame are affected by an electric field. It is therefore necessary to investigate the problem through numerical simulations. In the present work, the electric structure of stabilized CH4/air premixed flames at atmospheric pressure within a direct current field is studied using numerical simulations. This study consists of three parts. First, the transport equations are derived from the Boltzmann kinetic equation for each individual species. Second, a general method for computing the diffusivity and mobility of ions in a gas mixture is introduced. Third, the mechanisms for neutral and charged species are improved to give better predictions of the concentrations of charged species, based on experimental data. Following from this, comprehensive numerical results are presented, including the concentrations and fluxes of charged species, the distributions of the electric field and electric potential, and the electric current-voltage relation. Two new concepts introduced with the numerical results are the plasma sheath and dead zone in the premixed flame. A reactive plasma sheath and a Boltzmann relation sheath are discovered in the region near the electrodes. The plasma sheath penetrates into the flame gas when a voltage is applied, and penetrating further if the voltage is higher. The zone outside the region of sheath penetration is defined as the dead zone. With the two concepts, analytical solutions for the electric field, electric potential and current-voltage curve are derived. The solutions directly describe the electric structure of a premixed flame subject to a DC field. These analytical solutions, together with the discovery of the plasma sheath and dead zone in flames, are the novel contributions of this work.

Ignition and combustion characteristics of n-butanol/air, 2-butanol.air and isobutanol/air mixtures at stoichiometric (ϕ = 1) and lean (ϕ = 0.5) conditions were investigated in a micro flow reactor with a controlled temperature profile from 323 K to 1313 K, under atmospheric pressure. Sole distinctive weak flame was observed for each mixture, with inlet fuel/air mixture velocity set low at 2 cm/s. One-dimensional computation with comprehensive chemistry and transport was conducted. At low mixture velocities, one-stage oxidation was confirmed from heat release rate profiles, which was broadly in agreement with the experimental results. The weak flame positions were congruent with literature describing reactivity of the butanol isomers. These weak flame responses were also found to mirror the trend in Anti-Knock Indexes of the butanol isomers. Flux and sensitivity analyses were performed to investigate the fuel oxidation pathways at low and high temperatures. Further computational investigations on oxidation of butanol isomers at higher pressure of 5 atm indicated two-stage oxidation through the heat release rate profiles. Low temperature chemistry is accentuated in the region near the first weak cool flame for oxidation under higher pressure, and its impact on key species – such as hydroxyl radical, hydrogen peroxide and carbon monoxide – were considered. Both experimental and computational findings demonstrate the advantage of employing the micro flow reactor in investigating oxidation processes in the temperature region of interest along the reactor channel. By varying physical conditions such as pressure, the micro flow reactor system is proven to be highly beneficial in elucidating oxidation behavior of butanol isomers in conditions in engines such as those that mirror HCCI operations.

Halon 1301 (CF3Br), or bromotrifluoromethane, had been widely used as fire-extinguishing agent for many years before its production and consumption were severely regulated by the Montreal Protocol due to its hazardous depletion effect to the stratospheric ozone layer. It is therefore imperative to find an effective replacement fire-fighting agent before the mandated deadline of the complete phase out of CF3Br. Currently there are intensive efforts in searching for an environmentally acceptable fire suppression replacement. This, however, is hampered by a lack of fundamental understanding of how CF3Br suppresses the chemical reactions in a flame environment so effectively. Recent experimental evidence has shown that the addition of CF3Br significantly reduced the burning velocity of premixed H2/Air flames by depleting the important radical species that are important to sustain chemical reactions. Extending this finding to understand the suppression of more complicated diffusion flames and unsteady three dimension turbulent flames in the presence of Halon 1301, however, still faces enormous challenge because of the prohibitive requirement of the computational power. The present chemical reaction mechanism for even the simplest hydrocarbon fuel (CH4) combustion involves more than 300 elemental reactions and the addition of CF3Br adds approximately 70 more elemental reactions. This large number of reactions and the associated large number of reaction species, many of which still involve uncertain reaction coefficients and thermodynamics properties, present significant computing challenges for applications in multidimensional non-premixed flames that are often encountered in practice. Therefore, it is of interest to systematically reduce the full chemical mechanism to a few global reactions while still maintaining the accuracy of the original mechanism. The present research systematically reduced the complex H2/Air/CF3Br chemical reaction mechanism with 94 initial elemental reactions to 5 global reaction steps. The reduced mechanism results in dramatic savings in computer time and is capable of predicting the major species and important steady state species with high accuracy. Through detailed sensitivity and production rate analysis the present research was able to find the key elemental reactions that are responsible for the fire suppression behavior of CF3Br. Predicted maximum concentrations of H and OH were found to correlate closely with the existing laminar burning velocity data measured for the premixed H2/Air/CF3Br flames. Better agreement with the experimental data was found when two activation energies for the two most important elementary reactions from QRRK calculations were adopted. The reduced mechanism developed through this research can be used to assist in the calculation and the understanding of fire suppression of CF3Br for more practical multidimensional nonpremixed laminar and turbulent flames, and the effort in searching for other effective fire suppressing agents.

Hydrogen, as an alternative to conventional aviation fuels, has the potential to increase the efficiency of a gas turbine as well as reduce emissions of greenhouse gases. In addition to significantly reducing the number of pollutants due to the absence of carbon, burning hydrogen at low equivalence ratios can significantly reduce emissions of oxides of nitrogen (NOx). Because hydrogen has a wide range of flammability limits, fuel lean combustion can take place at lower equivalence ratios than those with typical hydrocarbon fuels. Numerous efforts have been made to develop gas turbine fuel injectors that premix methane/natural gas and air in fuel lean proportions prior to the reaction zone. Application of this technique to hydrogen combustion has been limited due to hydrogen's high flame rate and the concern of the reaction zone propagating into the premixing injector, commonly referred to as flashback. In this investigation, a lean-premixing hydrogen injector has been developed for application in small gas turbines. The performance of this injector was characterized and predictions about the injector's performance operating under combustor inlet conditions of a PT6-20 Turboprop have been made. / Master of Science

As a result of growing concerns about the carbon emissions associated with the combustion of conventional hydrocarbon fuels, hydrogen is gaining more attention as a clean alternative. The combustion of hydrogen in air produces no carbon emissions. However, hydrogen-air combustion does have the potential to produce oxides of nitrogen (NOx), which are harmful pollutants. The production of NOx can be significantly curbed using lean premixed combustion, wherein hydrogen and air are mixed at an equivalence ratio (the ratio of stoichiometric to actual air in the combustion process) significantly less than 1.0 prior to combustion. Hydrogen is a good candidate for use in lean premixed systems due to its very wide flammability range. The potential for the stable combustion of hydrogen at a wide range of equivalence ratios makes it particularly well-suited to application in gas turbines, where the equivalence ratio is likely to vary significantly over the operating range of the machine. The strong lean combustion stability of hydrogen-air flames is due primarily to high reaction rates and the associated high turbulent burning velocities. While this is advantageous at low equivalence ratios, it presents a significant danger of flashback — the upstream propagation of the flame into the premixing device — at higher equivalence ratios. An investigation has been conducted into the operation of a specific hydrogen-air premixer design in a gas turbine engine. Laboratory tests were first conducted to determine the upper stability limits of a single premixer. Tests were then carried out in which eighteen premixers and a custom-fabricated combustor liner were installed in a modified Pratt and Whitney Canada PT6A-20 turboprop engine. The tests examined the premixer and engine operability as a result of the modifications. A computer cycle analysis model was created to help analyze and predict the behavior of the modified engine and premixers. The model, which uses scaled component maps to predict off-design engine performance, was integral in the analysis of premixer flashback which limited the operation of the modified engine. / Master of Science

Hydrogen-powered engines have been gaining increasing interest due to the global concerns of the effects of hydrocarbon combustion on climate change. Gas turbines are suitable for operation on hydrogen fuel. This thesis reports the results of investigations of the special requirements of the fuel controller for a hydrogen gas turbine. In this investigation, a digital fuel controller for a hydrogen-fueled modified Pratt and Whitney PT6A-20 turboprop engine was successfully designed and implemented. Included in the design are safety measures to protect the operating personnel and the engine. A redundant fuel control is part of the final design to provide a second method of managing the engine should there be a malfunction in any part of the primary controller. Parallel to this study, an investigation of the existing hydrogen combustor design was performed to analyze the upper stability limits that were restricting the operability of the engine. The upstream propagation of the flame into the premixer, more commonly known as a flashback, routinely occurred at 150 shaft horsepower during engine testing. The procedures for protecting the engine from a flashback were automated within the fuel controller, significantly reducing the response time from the previous (manual) method. Additionally, protection measures were added to ensure the inter-turbine temperature of the engine did not exceed published limits. Automatic engine starting and shutdown procedures were also added to the control logic, minimizing the effort needed by the operator. The tested performance of the engine with each of the control functions demonstrated the capability of the controller. Methods to generate an engine-specific fuel control map were also studied. The control map would not only takes into account the operability limits of the engine, but also the stability limits of the premixing devices. Such a map is integral in the complete design of the engine fuel controller. / Master of Science

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