Population growth and increasing standards of living have resulted in a rapid demand for energy. Our primary energy production is still dominated by fossil fuels. This extensive usage of fossil fuels has led to global warming, environmental pollution, as well as the depletion of hydrocarbon resources. The prevailing difficult situation offers not only a challenge but also an opportunity to search for alternatives to fossil fuels. Hence, there is an urgent need to explore environmentally friendly and cost-effective renewable energy sources. Oxygenates (alcohols, ethers) and ammonia are among the potential renewable alternative fuels of the future. This thesis investigates the combustion characteristics of promising alternative fuels and their blends using a combination of experimental and modelling methodologies. The studied fuels include ethanol, diethyl ether, dimethyl ether, dimethoxy methane, γ-valerolactone, cyclopentanone, and ammonia. For the results presented in this thesis, the studies may be classified into three main categories: 1. Ignition delay time measurements of ethanol and its blends by using a rapid compression machine and a shock tube. The blends studied include binary mixtures of ethanol/diethyl ether and ternary mixtures of ethanol/diethyl ether/ethyl levulinate. A chemical kinetic model has been constructed and validated over a wide range of experimental conditions. The results showed that a high-reactivity fuel, diethyl ether, may be blended with a low-reactivity fuel, ethanol, in varying concentrations to achieve the desired combustion characteristics. A ternary blend of ethanol/diethyl ether/ethyl levulinate may be formulated from a single production stream, and this blend is shown to behave similarly to a conventional gasoline. 2. Ignition delay time and flame speed measurements of ammonia blended with combustion promoters by utilizing a rapid compression machine and a constant volume spherical reactor. The extremely low reactivity of ammonia makes it unsuitable for direct use in many combustion systems. One of the potential strategies to utilize ammonia is to blend it with a combustion promoter. In this work, dimethyl ether, diethyl ether, and dimethoxy methane are explored as potential promoters of ammonia combustion. Chemical kinetic models were developed and validated in the high temperature regime by using flame speed data and in the low-to-intermediate temperature regime by using ignition delay time data. The results showed that even a small addition (~ 5 – 10%) of combustion promoters can significantly alter ammonia combustion, and diethyl ether was found to have the highest propensity to enhance ammonia ignition and flame propagation. Blends of combustion promoters with ammonia can thus be utilized in modern downsized turbo-charged engines. 3. Octane boosting and emissions minimization effects of next generation oxygenated biofuels. These studies were carried out using a cooperative fuel research engine operating in a homogenous charge compression ignition (HCCI) mode. The oxygenated fuels considered here include γ-valerolactone and cyclopentanone. The results showed that γ-valerolactone and cyclopentanone can be effective additives for octane boosting and emission reduction of conventional fuels. Overall, the results and outcomes of this thesis will be highly useful in choosing and optimizing alternative fuels for future transportation systems.

<div>Due to the depletion of fossil fuel reserves and emission challenges associated with its usage, there is a need for alternative aviation fuels for future propulsion. The alternative fuels with handling, storage and combustion characteristics similar to conventional fuels can be used as “drop-in” fuels without significant changes to the existing aviation infrastructure. Fire safety characteristics of alternative aviation fuels have not been studied intensively and therefore research is needed to understand these characteristics. In this study, fire safety characteristics namely hot surface ignition (HSI) and flame spread phenomena are investigated for alternative aviation fuels. </div><div><br></div><div>HSI is defined as the process of a flammable liquid coming in contact with a hot surface and evaporating, mixing and reacting with the surrounding oxidizer with self-supporting heat release (combustion). If all the conditions are adequate, the fuel may completely turn into combustion products following the ignition process. This work presents results from more than 5000 ignition tests using a newly developed reproducible test apparatus. A uniform surface temperature stainless steel plate simulating the wall of a typical exhaust manifold of an aircraft engine is used as the hot surface. Ignition tests confirmed that the ignition event is transient and initiates at randomly distributed locations on the hot surface. The results show many significant differences and some similarities in the ignition characteristics and temperatures of the different fuels. In this work, hot surface ignition temperatures (HSITs) are measured for nine hydrocarbon liquids. Five of these fuels are piston engine based, three fuels are turbine-engine based and one fuel is a pure liquid, heptane. The piston engine based fuels are given by FAA and are confidential and hence labeled as test fuels A, B, C, D for this study. The HSITs of these fuels are measured and compared against a baseline fuel 100 LL aviation gasoline (100LL Avgas). HSITs of conventional turbine engine based fuels namely Jet-A, JP-8, and JP-5 are also measured. </div><div><br></div><div>Flame spread along liquid fuel has been one of the important combustion phenomena that still requires more in-depth research and analysis for the deep understanding of the chemical processes involved. Flame spread rate determines how fast the flame spreads along the fuel surface and it is an important parameter to study for fire safety purposes. For the flame spread rates study, a novel experimental apparatus is designed and fabricated. The experimental apparatus consists of a rectangular pan, a fuel heating system, an autonomous lid actuation system, a CO2 fire extinguisher system, and a laser ignition system. The flame spread phenomenon is studied for a conventional aviation fuel namely, Jet-A and three alternative aviation fuels namely, hydro-processed ester fatty acids (HEFA-50), Fischer-Tropsch – IPK (FT-IPK) and synthetic iso-paraffin (SIP). The experiments are conducted for a wide range of initial fuel temperatures ranging from 25°-100°C for Jet-A, HEFA-50, FT-IPK and from 80-140°C for SIP as the flash-point of SIP is 110°C and is ~3 times higher than that of other three fuels. The flame spread rate of all fuels increases exponentially with increasing fuel’s initial temperature. Flame spread rate is as low as ~5 cm/sec for Jet-A, HEFA-50, FT-IPK for 25°C initial fuel temperature and goes to as high as 160 cm/sec for 80°C initial fuel temperature. For SIP based jet fuel, flame spread rate is ~160 cm/sec for initial fuel temperature of 140°C. Additionally, it was also found that the flame propagation consists of two types of flames: a precursor blue flame located ahead of the main yellow flame. These flames are more evident over the fuels’ surface with initial fuel temperatures higher than their respective flash-points. The precursor blue flame propagates like a premixed flame and the main yellow flame propagates like diffusion combustion.</div><div><br></div><div>This dissertation includes eight chapters. Chapter 1 gives an overview of the work done until now in the field of hot surface ignition. Following this review, the experimental apparatus designed and fabricated for this study are discussed in Chapter 2. This chapter also talks about the test matrix, data acquisition tools and concludes with the data analysis method. In Chapter-3, HSITs of 3 turbine engine based fuels and 5 piston engine based fuels are reported. This chapter also discusses the effect of drop height and curvature (flat v/s cylindrical) for two fuels, Jet-A, and heptane. This concludes the work done in the field of HSI in this dissertation. Chapter 4 talks about the past work reported by various researchers in the field of flame spread phenomenon and key learnings from their work. Chapter 5 discusses the experimental apparatus designed and fabricated for flame spread phenomenon study. In chapter-6, flame spread rates of 4 alternative aviation fuels are reported. This chapter also discusses the flame spread mechanism associated with slower (liquid-phase controlled) and faster (gas-phase controlled) flame propagation. Chapter 7 discusses flame propagation which consists two types of flames: a precursor blue flame and a main yellow flame. Chapter 8 concludes the key findings of the hot surface ignition and flame spread phenomenon study in this research work </div><div><br></div>

<div>Pressure-gain combustion in wave rotors offer the opportunity for substantial improvement in gas turbine efficiency and power, while controlling emissions with fuel flexibility, if provided rapid and reliable ignition of lean mixtures. In addition, tightening emission regulations and increasing availability of gas fuels for internal-combustion engines require more reliable ignition for ultra-lean operation to avoid high peak combustion temperature. Turbulent jet ignition (TJI) is able to address the ignition challenges of lean premixed combustion. Especially, the turbulent hot jet results in faster ignition penetration for wave rotor pressure-gain combustors that have high-frequency operation and fast-burn requirements. Controllability of TJI needs better understanding of the chemistry and fluid mechanics in the jet mixing region, particularly the estimation of ignition delay time and identifying the location of the ignition onset. </div><div>In the present work, numerical and analytical methods are employed to develop models capable of estimating the ignition characteristics that the turbulent hot jet exhibits as it is issued to a cold stoichiometric CH4-H2-Air mixture with varied fuel reactivity blends. Numerical models of the starting turbulent jet are developed by Reynolds-averaged and large-eddy simulation of Navier-Stokes and scalar transport equations in a high-resolution computational domain, with major focus on ignition of high-reactivity fuel blends in the jet near-field due to computational resource limitations. The chemical reactions are modeled using detailed chemistry by well-stirred and partially stirred reactor approaches. Numerical models describe the temporal evolution of jet mixture fraction, scalar dissipation rate, flow strain rate, and thermochemical quantities of the flow.</div><div>For faster estimation of ignition characteristics, analytical methods are developed to explicitly solve governing equations for the transient evolution of the near field and the leading vortex of the starting hot jet. First, the transient radial evolution of the turbulent shear-layer of a round transient jet is analytically investigated in the near-field of the nozzle, where the momentum potential core exists. The methods approximate the mixing and chemical processes in the jet shear and mixing layer. The momentum equation is integrated analytically, with a mixing-length turbulence model to represent the variation of effective viscosity due to the velocity gradients. The analytic predictions of the velocity field and mass entrainment rate of the jet are compared with numerical predictions and experimental findings. In addition, the transport equation of conserved scalars in the jet near-field is solved analytically for the history of the jet mixture fraction. This analytic solution for temperature and species is used, together with available models for instantaneous chemical induction time, to create an analytic ignition model that provides the time and radial location of the ignition onset.</div><div>Lastly, the ignition mechanism within the vortex ring, which leads the starting turbulent jet, is modeled using prior understanding about the mixing characteristics of the vortex. This mechanism is more relevant to low-reactivity fuel blends. Due to the presence of strong mixing at the large-scale, the vortex ring is treated as a homogeneous batch-reactor, which contains certain levels of the jet mixture fraction. This assumption provides the initial composition and temperature of the reactor in which ignition ensues. </div><div>This article-dissertation is developed as a collection of 4 articles published in peer-reviewed journals, one submitted article, and additional unpublished work. The study is laid out in 6 chapters with the following contributions:</div><div>Chapter 1: This chapter numerically investigates the three-dimensional behavior of a transient hot jet as modeled using the Reynolds-averaged turbulence flow. The study aims at providing an insight towards the role of mixing in the ignition progress and how the operating conditions such as fuel mixture and pre-chamber pressure ratio can influence the ignition success. An ignition prediction criterion is developed in this chapter, which helps to predict the ignition success under a broad range of operating conditions.</div><div>Chapter 2: In this chapter, the large-eddy simulation (LES) of hot jet ignition is reported in conjunction with detailed kinetics mechanism and adaptive-mesh refinement. The correlation between local values of mixture fraction gradient and ignition is discussed. Furthermore, the role of methane-hydrogen ratio on the heat release pattern is studied for two specific mixtures.</div><div>Chapter 3: The LES of CH4-H2-Air ignition is extended in this chapter to account for multivariable evaluation of ignition. Joint probability assessment of ignition explains the role of important scalars on the formation and growth of ignition. Also, the effect of CH4-H2 ratio on the spatial distribution of ignition is assessed and discussed.</div><div>Chapter 4: In this chapter, the rate of mass entrainment into the jet in the near-field region is studied. Characterization of the mass entrainment illuminates the understanding of mixing behavior of the starting turbulent jets. Through an exact solution of the momentum equation, this chapter includes a model of the diffusive transport in a round transient jet at high Reynolds numbers.</div><div>Chapter 5: This chapter proposes a method to evaluate the mass/heat exchange between a transient-turbulent jet and a quiescent environment. To analyze the transport phenomena in the jet near-field, the transient diffusion equation in cylindrical coordinates is explicitly solved and its solution is compared with the empirical findings. The transport solution then enables an ignition model to describe the spatiotemporal characteristics of ignition in the near-field.</div><div>Chapter 6: The development of ignition within the vortex ring of the transient jet is investigated in this chapter. The initiation, growth, and departure of the vortex ring are studied using the available empirical correlations and the LES. Using a perfectly-stirred, zero-dimensional representation of the vortex, chemical kinetic calculations provide estimates of ignition delay for various fuel mixtures.</div><div><br></div>

Recently, some new technologies (e.g., downsizing, turbocharging) have been widely used in spark-ignition (SI) engines to achieve higher efficiencies and less emissions. However, the improved power density and in-cylinder pressure promote more engine knock, causing violent pressure oscillations and threatening engine integrity. Therefore, it is imperative to study engine knocking combustion more than ever; In-depth understandings of knock mechanism and characteristics are of utmost importance for controlling knock. With this emphasis, this thesis implements systematic studies to bridge the gap between knocking combustion characteristics and knock suppressing strategies. To investigate knock with optical and laser diagnostics, an optical compression-ignition (CI) engine was modified to operate under SI mode. A home-made metal liner with multiple spark plugs was used to trigger more controllable knock events via different spark strategies. Up to six pressure sensors were installed to collect the pressure signals from different sides. Next, the relationships between in-cylinder pressure, knock intensity, pressure fluctuation, heat release, and measurement location are analyzed to study the knock mechanism, influential factors, and measurement methods. The findings indicate a trade-off between the mass fraction and temperature of end-gas. The effects of compression ratio and fuel octane number are also explored. Moreover, the multichannel pressure monitoring is synchronized with high-speed imaging to investigate the flame propagation and knock development processes regarding the different spark strategies. The results give insights into the in-cylinder temperature inhomogeneity and how it affects the spatial distribution of auto-ignition sites. Furthermore, a new method is proposed to detect the local pressure fluctuations by setting a series of virtual flame monitors instead of pressure sensors. The results validate that this method provides a convenient and reliable way to study knock oscillations. Finally, this study presents a hydraulically actuated VCR (variable compression ratio) piston design to address knock challenges. The numerical simulation results show this VCR piston has a good adaptability and could help achieve high engine efficiencies, while keeping reasonable peak pressure to avoid heavy knock at high loads. However, more analysis work still needs to be implemented on its practical applications, e.g., the thermal stress and frictions under different operating conditions.

Extensive analysis of the physical and chemical effects controlling the operation of combustion modes driven by auto-ignition is presented in this thesis. Specifically, the study integrates knowledge attained by analyzing the effects of fuel molecular structure on auto-ignition, quantity or quality of charge dilution, and in-cylinder temperature and pressure on burning characteristics in single and multiple injection strategies employed in compression ignition (CI), partially premixed combustion (PPC) and homogenous charge compression ignition (HCCI) engines. In the first section of the thesis, a multiple injection strategy aimed to produce heat at a constant pressure, commonly known as isobaric combustion, has been studied. Then, to eliminate the complexity of spray-to-spray interactions observed with isobaric combustion, the second section of the thesis is focused on compression ignition (CI) through single injection. In the final section, the presentation will move towards moderate conditions with high dilution, in which combustion becomes dominated by chemical kinetics. At these conditions, there is emerging evidence that certain fuels exhibit unusual heat release characteristics where fuel releases heat in three distinctive stages. Overall, the thesis discusses factors controlling the auto-ignition for CI, PPC and HCCI engines that can provide valuable insights to improve their operation. Isobaric combustion in CI engine involves large interactions between physical and chemical effects. Injection of spray jets into oxygen-deprived regions catalyzes the mechanism for soot production – urging to employ either multiple injectors, low reactivity fuel or an additional expansion stage. Fuels – regardless of their auto-ignition tendency – share the same combustion characteristics in the high load CI, where auto-ignition is controlled by only the injector’s physical specifications. Such observation is a showcase of the fuel flexible engines that has the potential of using sustainable fuels – without being restrained by the auto-ignition properties of the fuel. The thesis provides evidence from experiment and simulation that three-stage auto-ignition is indeed a phenomenon driven by chemical kinetics. Three-stage auto-ignition opens the perspective to overcome the limitation of the high-pressure rise rates associated with HCCI engine.

The ignition of a solid is an inherently complex phenomenon influenced by heat and mass transport mechanisms that are, even to this day, not understood in entirety. In order to use ignition data in meaningful engineering application, significant simplifications have been made to the theory of ignition. The most common way to classify ignition is the use of material specific parameters such as such as ignition temperature (Tig) and the critical heat flux for ignition (CHF). These parameters are determined through standardized testing of solid materials – however, the results of these tests are generally used in applications different from the environments in which these parameters were actually determined. Generally, ignition temperature and critical heat flux are used as material properties and are presented readily in sources such as the SFPE Handbook. However, these parameters are not truly material properties; each are inherently affected by the environment and orientation in which they are tests. Ignition parameters are therefore system dependent, tied to the conditions in which the parameters are determined. Previous work has demonstrated that ignition parameters (such as Tig or CHF) for the same material can vary depending on whether the sample is tested in a vertical or horizontal orientation. While the results are clear, the implications this may have on the use of ignition data remains uncertain. This work outlines the fundamental theory of ignition as well as a review of studies related to orientation. The aim of this study it to analyze the influence of sample orientation on ignition parameters. All experimental work in this study was conducted using cast black polymethyl methacrylate (PMMA or commonly referred to as acrylic). This study explores ignition parameters for PMMA in various orientations and develops a methodology through which orientation can be incorporated into existing ignition theory. An additional study was also conducted to explore the statistical significance of current flammability test methodologies. Ultimately, this study outlines the problem of the system dependency of ignition and provides commentary on the use of ignition data in engineering applications

Indiana University-Purdue University Indianapolis (IUPUI) / A chemically reactive turbulent traversing hot-jet issued from a pre-chamber to a relatively long combustion chamber is experimentally investigated. The long combustion chamber represents a single channel of a wave rotor constant-volume combustor. The issued jet ignites the fuel-air mixture in the combustion chamber. Fuel-air mixtures are prepared with different hydrocarbon fuels of different reactivity, namely, methane, propane, methane-hydrogen blend, methane-propane blend and methane-argon blend. The jet acts as a rapid, distributed and moving source of ignition, traversing across one end of the long combustion chamber entrance, induces complex flow structures such as a train of counter rotating vortices that enhance turbulent mixing. In general, a stationary hot-jet ignition process lack these structures due to absence of the traversing motion. The ignition delay of the fuels and fuel blends are measured in order to obtain insights about constant-volume pressure-gain combustion process initiated by a moving source of ignition and also to glean useful data about design and operation of a wave rotor combustor. Reactive hot-jets are useful to ignite fuel-air mixtures in internal combustion engines and novel wave rotor combustors. A reactive hot-jet or puff of gas issued from a suitably designed pre-chamber can act as rapid, distributed and less polluting ignition source in internal combustion engines. Each cylinder of the engine is provided with its own pre-chamber. A wave rotor combustor has an array of circumferentially arranged channels on a rotating drum. Each channel acts as a constant-volume combustor and produces high pressure combustion products. Implementation of hot-jet igniter in a wave rotor combustor offers utilization of available high temperature and high pressure reactive combustion products residing in each of the wave rotor channels as a distributed source of ignition for other channels, thus requiring no special pre-chamber in ultimate implementation. Such reactive products or partially combusted and radical-laden gases can be issued from one or more channels to ignite the fuel-air mixture residing in another channel. Due to the rotation of the rotor channels, the issued hot-jet would have relative motion with respect to one end of the channels and traverse across it. This thesis aims to investigate the effects of jet traverse time experimentally on ignition delay along with other important factors that affect the hot-jet ignition process such as fuel reactivity, fuel-air mixture preparation quality and stratification and equivalence ratio. In this study, the traversing motion of the hot-jet at one end of the main combustion chamber is implemented by keeping the main combustion chamber stationary and rotating a pre-chamber at speeds of 400 RPM, 800 RPM and 1200 RPM. The rotational speeds correspond to jet traverse times of 16.9 ms, 8.4 ms and 5.6 ms respectively. The fuel-air mixture inside the channel is at room temperature and pressure initially and its equivalence ratio is varied from 0.4 to 1.3. The cylindrical pre-chamber is initially filled with a 50%-50% methane-hydrogen blend fuel and air mixture at room pressure and temperature and at an equivalence ratio of 1.1. These conditions were chosen based on prior evidence of ignition rapidity with the jet properties. The hot-jet is issued by rupturing a thin diaphragm isolating the chambers. Using high frequency dynamic pressure transducer pressure histories, the diaphragm rupture moment and onset of ignition is measured. Pressure traces from two transducers are employed to measure the initial rupture shock speed and ignition delay. Schlieren images recorded by a high speed camera are used to identify ignition moment and validate the measured ignition delay times. Ignition delay is defined as time interval from the rupture moment to onset of ignition of fuel-air mixture in the main combustion chamber. The ignition system is designed to produce diaphragm rupture at almost exactly the moment when jet traverse begins. Ignition delay times are measured for methane, propane, methane-hydrogen blends, methane-propane blend and methane-argon blend. The equivalence ratio of the fuel-air mixtures varied from 0.4 to 1.3 in steps of 0.1 for stationary-hot jet ignition experiments and in steps of 0.3 for traversing hot-jet ignition experiments. Hot-jet ignition delay of fuel-air mixtures, for both stationary hot-jet ignition process and traversing hot-jet ignition process, generally increased with increasing equivalence ratio. For stationary hot-jet ignition delay, the minimum ignition delay occurs between Ф = 0.4 to Ф = 0.6 for the tested fuel-air mixtures. Both stationary and traversing hot-jet ignition delay depended on fuel reactivity. In particular, the shortest ignition delay times were observed for a fuel blend containing hydrogen. Among pure fuels propane exhibited slightly shorter ignition delay times, on average, compared to pure methane fuel. The addition of argon to pure methane, intended to control fuel density and buoyancy, increased the ignition delay. The traversing hot-jet ignition delay generally increased with increasing jet traverse times. To explain the variations in the measured hot-jet ignition delay and investigate qualitatively the effect of buoyancy on flame propagation and mixture stratification, the fuel-air mixture inside the main combustion chamber was ignited using a spark plug to generate a propagating laminar flame. The laminar flame propagated within the flammable regions of the channel in ways that sensitively reveal variations in local fuel-air mixture equivalence ratio. Flame luminosity images from a high speed camera and schlieren images revealed the fuel-air mixture being highly stratified depending on the density difference between the fuel and air and provided mixing time (0 s, 10s ,30s for most fuels). The lack of buoyancy-driven spreading caused the fuel to remain in the vicinity of the fuel injector resulting in significant longitudinal stratification of the fuel-air mixture. Lighter fuels stratified to the top of the chambers and heavier fuel stratified to the bottom of the chamber. Increasing the mixing time, which is defined as the time interval from end of fuel injection into the chamber to the triggering of the spark plug, improved the buoyancy-driven spreading and extended the flammable region as evidenced by the schlieren and flame luminosity images. The maximum pressure developed in the combustor for the three ignition processes, namely, stationary hot-jet ignition, traversing hot-jet ignition and spark ignition process in laminar flame propagation experiments were compared. Stationary hot-jet ignition process generally exhibited the highest pressure being developed in the chamber. Variations in heat loss, fuel-air mixture leakage and mass addition mechanisms reduced the maximum pressure for spark ignition and traversing hot-jet ignition process.

This thesis focuses on ignition of diisopropyl ketone (DIPK), a new biofuel candidate that is produced by endophytic conversion. The ignition delay times behind reflected shockwaves were modeled in a high-pressure shock tube. The ignition delay times were compared to other biofuels and gasoline surrogates. Parametric studies of the ignition delay experiments were performed between 1-10 atm and 900 -1200K. An OH optical sensor was developed in conjunction for the ignition delay experiments. The OH optical sensor uses a microwave discharge lamp to generate light at 308 nm that will then be shined through the combustion reaction. Using Beer-Lambert law the concentration of OH can be obtained during ignition and oxidation of hydrocarbon fuels in a shock tube. DIPK ignition delay time experiments are planned in two shock tubes (located at UCF and UF) to provide ignition and OH time-histories data for model validation.

Ignition and oxidation characteristics of CO/H2, H2/O2 and CO/H2/CH4/CO2/Ar fuel blends in air were studied using both experimental and computer simulation methods. Shock-tube experiments were conducted behind reflected shock waves at intermediate temperatures (825 < T < 1400 K) for a wide range of pressures (1 < P < 45 atm). Results of this study provide the first undiluted fuel-air ignition delay time experiments to cover such a wide range of syngas mixture compositions over the stated temperature range. Emission in the form of chemiluminescence from the hydroxyl radical (OH*) transition near 307 nm and the pressure behind the reflected shock wave were used to monitor reaction progress from which ignition delay times were determined. In addition to the experimental analysis, chemical kinetics calculations were completed to compare several chemical kinetics mechanisms to the new experimental results. Overall, the models were in good agreement with the shock-tube data, especially at higher temperatures and lower pressures, yet there were some differences between the models at higher pressures and the lowest temperatures, in some cases by as much as a factor of five. In order to discern additional information from the chemical kinetics mechanisms regarding their response to a wide range of experimental conditions, ignition delay time and reaction rate sensitivity analyses were completed at higher and lower temperatures and higher and lower pressures. These two sensitivity analyses allow for the identification of the key reactions responsible for ignition. The results of the sensitivity analysis indicate that the ignition-enhancing reaction H + O2 = O + OH and hydrogen oxidation kinetics in general were most important regardless of mixture composition, temperature or pressure. However, lower-temperature, higher-pressure ignition delay time results indicate additional influence from HO2- and CO- containing reactions, particularly the well-known H + O + M = HO2 + M reaction and also the CO + O + M = CO2 + M and CO + HO2 = CO2 + OH reactions. Differences in the rates of the CO-related reactions are shown to be the cause of some of the discrepancies amongst the various models at elevated pressures. However, the deviation between the models and the experimental data at the lowest temperatures could not be entirely explained by discrepancies in the current rates of the reactions contained within the mechanisms. Additional calculations were therefore performed to gain further understanding regarding the opposing ignition behavior for calculated and measured ignition delay time results. Impurities, friction induced ionization, static charge accumulation, boundary layer effects, wall reaction effects, and revised chemical kinetics were all considered to be possible mechanisms for the model and measured data disparity. For the case of wall-reaction effects, additional shock-tube experiments were conducted. For the remaining effects listed above, only detailed calculations were conducted. Results from this preliminary anomaly study are at this time inconclusive, but likely avenues for future study were identified. Additional kinetics calculations showed that the large difference between the experimental data and the chemical kinetics models predictions at low temperatures can be explained by at least one missing reaction relevant to low-temperature and high-pressure experimental conditions involving the formation of H2O2, although further study beyond the scope of this thesis is required to prove this hypothesis both theoretically and experimentally.

This thesis is about modelling of the combustion and emissions of dual fuel HCCI engines for design of “engine combustion system”. For modelling the combustion first the laminar flamelet model and a hybrid Lagrangian / Eulerian method are developed and implemented to provide a framework for incorporating detailed chemical kinetics. This model can be applied to an engine for the validation of the chemical kinetic mechanism. The chemical kinetics, reaction rates and their equations lead to a certain formula for which the coefficients can be obtained from different sources, such as NASA polynomials [1]. This is followed by study of the simulation results and significant findings. Finally, for investigation of the knock phenomenon some characteristics such as compression ratio, fuel equivalence ratio, spark timing and their effects on the performance of an engine are examined and discussed. The OH radical concentration (which is the main factor for production of knock) is evaluated with regard to adjustment of the above mentioned characteristic parameters. In the second part of this work the specification of the sample engine is given and the results obtained from simulation are compared with experimental results for this sample engine, in order to validate the method applied in AVL Fire software. This method is used to investigate and optimize the effects of parameters such as inlet temperature, fuels ratio, diesel fuel injection timing, engine RPM and EGR on combustion in a dual fuel HCCI engine. For modelling the dual fuel HCCI engine AVL FIRE software is applied to simulate the combustion and study the optimization of a combustion chamber design. The findings for the dual fuel HCCI engine show that the mixture of methane and diesel fuel has a great influence on an engine's power and emissions. Inlet air temperature has also a significant role in the start of combustion so that inlet temperature is a factor in auto-ignition. With an increase of methane fuel, the burning process will be more rapid and oxidation becomes more complete. As a result, the amounts of CO and HC emissions decrease remarkably. With an increase of premixed ratio beyond a certain amount, NOX emissions decrease. With pressure increases markedly and at high RPM, knock phenomenon is observed in HCCI combustion.