Laminar Flame Speeds and Autoignition of Dimethyl Ether at Elevated Pressures and Temperature Using Novel Combustion Technique


Book Description

Dimethyl Ether (DME) is a candidate fuel that has potential to be renewable and advantageous over diesel in terms of combustion and emission characteristics as well as suitable for use in stationary gas turbines. Further, it can be used neat as well as blended with diesel, gasoline or other fuels in conventional and advanced CI engines. The design of various types of engines that use DME as a fuel is greatly dependent on computational simulations which require validated chemical kinetic mechanisms that can reliably mimic the combustion and pollutant formation behavior of DME at physical conditions that are relevant to engines. The objective of this work is to contribute to a better understanding and validation of chemical kinetics of DME, particularly at elevated pressures. This is done by obtaining data for auto-ignition and laminar flame speed of DME, which is subsequently used to assess and refine existing chemical kinetic mechanisms.To this effect, a novel optically accessible experimental facility, called DCF (Dynamic Combustion Facility), is first designed, fabricated, characterized and validated for laminar flame propagation studies. In this facility, the combustible mixture in the reactor cylinder is compressed to elevated pressures and temperatures by controlled motion of the reactor piston through a custom-designed hybrid cylinder arrangement. Spark is initiated after compression in the constant volume spherical chamber, yielding an outward propagating flame which is observed by Schlieren imaging technique. The procedures for data interpretation are developed and the experimental conditions under which piston motion induced temperature non-homogeneity is avoided are delineated. The facility is validated by obtaining data for methane/air flame speed at atmospheric and elevated pressures and comparing with the literature data. Subsequently, flame speed data for DME is obtained over a range of pressures and compared with predictions from recent chemical kinetic mechanism. The phenomenon of autoignition in the low-to-intermediate temperature region is of great practical importance in engines. Advanced combustion engines are based on low temperature combustion regime. Operation at these low temperature strategies is significantly kinetically-influenced by the complex low temperature chemistry of fuels. Therefore, autoignition of DME is investigated at low temperatures (630-785 K) and high pressures (8-38 bar) over a range of equivalence ratios (1-6) using a Rapid Compression Machine (RCM). In addition, the effect of CO2 addition on ignition is investigated to gauge the effect of exhaust gas recirculation. Results show that DME is very reactive and there is significant kinetic activity during the compression stroke. Experiments using CO2 show that there is no kinetic effect of CO2 on ignition delay. The experimental data are compared with simulations from available detailed and skeletal chemical kinetic models. In general, there is good overall agreement and discrepancies are noted at low temperatures. The key reactions are identified through flux and sensitivity analysis.The designed facility (DCF) is a novel approach and will be a substantial contribution to the existing arsenal of experimental facilities in combustion. The innovation can extend the range of experimental studies to higher pressures and temperatures, conditions beyond those attainable in existing facilities.




A Computational Study of Laminar Flame Propagation Into Mixtures with Non-zero Reaction Progress in Engine Conditions


Book Description

Flame speed data reported in most literature are acquired in conventional apparatus such as the spherical combusion bomb and counter flow burner, and are limited to atmospheric pressure and ambient or slightly elevated unburnt temperatures. As such, these data bear little relevance to internal combustion engines and gas turbines, which operate under typical pressures of 10-50 bar and unburnt temperature up to 900K or higher. These elevated temperatures and pressures not only modify dominant flame chemistry, but more importantly, they inevitably facilitate pre-ignition reactions and hence can change the upstream thermodynamic and chemical conditions of a regular hot flame leading to modified flame properties. This study focuses on how auto-ignition chemistry affects flame propagation, especially in the negative-temperature coefficient (NTC) regime, where dimethyl ether (DME), n-heptane and iso-octane are chosen for study as typical fuels exhibiting low temperature chemistry (LTC). The structure of this thesis consists of the introduction of the combustion, the governing equations in thermodynamics and chemical reactions as well as the general structure of the flame. Then, the typicl experimental configuration exploited in the measurement of laminar flame speed is introduced, which is followed by the manifestation of the low temperature chemistry and the gap between the reality and the experimental understandings. Finally, the simulation results of laminar flame speed at constant pressure condition and HCCI engine condition are presented and discussed respectively. The computation of laminar flame speed of lean and stoichiometric mixtures of fuel/air was performed at different ignition reaction progress, by selecting the thermal chemical states corresponding to different residence times during auto-ignition as the flame upstream condition. Using scaling and budget analysis, it is shown that a well-defined flame speed for such a partially reactive mixture in the classical diffusion-reaction limit could still be feasible in the appropriate computational domain, especially with a sufficiently reduced induction length. The comparison of flame speed against different types of progress variables indicates a nearly linear relationship between the flame speed and progress variables based on the fuel mass fraction and temperature. The overall effect of the cool-flame reformation has been studied by comparing the flame speed of the initial mixture and that of the instantaneous mixture under the same thermodynamic conditions. It is found that the enhanced propagation is shown to be largely a thermodynamic effect, while chemistry nevertheless plays an overall retarding role. Sensitivity analysis has been performed to identify the key species which most influence flame propagation at different reaction progress. A general scheme of simplified mixture was constructed to describe flame propagation in a partially reactive mixture, for both lean and stoichiometric, as well as high pressures conditions. The findings and general simplified mixture scheme are validated in HCCI engine conditions.




Laminar Burning Speed Measurement, Autoignition and Flame Structure Study of Spherically Expanding Flames


Book Description

Laminar burning speed is a thermophysical property of a combustible mixture. It is a measure of the rate of energy released during combustion in quiescent gas mixtures and incorporates the effects of overall reaction rates, energy (heat) of combustion and energy and mass transport rates. There are several experimental techniques to measure laminar burning speed and they can be broadly categorized into two general categories of stationary flames methods and those that are based on propagating flames. Investigation of spherical flame propagation in constant volume vessels is recognized to be one of the most accurate approaches for laminar burning speed measurement and flame structure study. In this thesis flame structure, laminar burning speed and onset of autoignition are studied for different premixed combustible mixtures including n-decane, jet-fuels, and Hydrofluorocarbon (HFC) refrigerants in air at high temperatures and pressures over a wide range of fuel-air equivalence ratios. The experimental facilities consist of two spherical and cylindrical vessels. The spherical vessel is used to collect pressure data to measure the burning speed and cylindrical vessel is used to take pictures of flame propagation with a high speed CMOS camera located in a shadowgraph system. A thermodynamic model is employed that assumes unburned gases compress isentropically and that burned gases are in local thermodynamic equilibrium. Burning speed is derived from the time rate change of mass fraction of burned gases. The major advantages of this method are that it circumvents the need for any extrapolation due to having low stretch rates and that many data points can be collected along an isentrope in a single experiment. Flame structures are studied to determine the cell formation conditions. Critical pressures at which the flame becomes cellular are identified and the effects of important parameters on cell formation are studied. Autoignition experiments are carried out for JP-8 fuels with high initial pressures in the spherical chamber. Autoignition occurs at specific temperature and pressure during the compression of unburned gas due to flame propagation.




Soot in Combustion Systems and Its Toxic Properties


Book Description

Our interest in Mulhouse for carbon black and soot began some 30 years ago when J.B. Donnet developed the concept of surface chemistry of carbon and its involvement in interactions with gas, liquid and solid phases. In the late sixties, we began to study soot formation in pyrolytic systems and later on in flames. The idea of organ1z1ng a meeting on soot formation originated some four or five years ago, through discussions among Professor J.B. Howard, Dr. A. D'Alessio and ourselves. At that time the scientific community was becoming aware of the necessity to strictly control soot formation and emission. Being involved in the study of surface properties of carbon black as well as of formation of soot, we realized that the combustion community was not always fully aware of the progress made by the physical-chemists on carbon black. Reciprocally, the carbon specialists were often ignoring the research carried out on soot in flames. One objective of this workshop was to stimulate discussions between these two scientific communities. During the preparation of the meeting, and especially during the review process by the Material Science Committee of the Scientific Affairs Division of N.A.T.O. the toxicological aspect emerged as being an important component to be addressed during the workshop. To reflect these preoccupations we invited biologists, physical chemists and engineers, all leaders in their field. The final programme is a compromise of the different aspects of the subject and was divided in five sessions.







Low-temperature Combustion and Autoignition


Book Description

Combustion has played a central role in the development of our civilization which it maintains today as its predominant source of energy. The aim of this book is to provide an understanding of both fundamental and applied aspects of low-temperature combustion chemistry and autoignition. The topic is rooted in classical observational science and has grown, through an increasing understanding of the linkage of the phenomenology to coupled chemical reactions, to quite profound advances in the chemical kinetics of both complex and elementary reactions. The driving force has been both the intrinsic interest of an old and intriguing phenomenon and the centrality of its applications to our economic prosperity. The volume provides a coherent view of the subject while, at the same time, each chapter is self-contained.




Development of a Spherical Combustion Chamber for Measuring Laminar Flame Speeds in Navy Bulk Fuels and Biofuel Blends


Book Description

This thesis presents the results of an experimental study to determine laminar flame speeds using the spherical flame method. An experimental combustion chamber, based on the constant-volume bomb method, was designed, built, and instrumented to conduct these experiments. Premixed Ethylene/air mixtures at a pressure of 2 atm, temperature of 298± 5K and equivalence ratios ranging from 0.8 to 1.5 were ignited and using a high speed video Schlieren system images were taken to measure the laminar flame speed in the expanding spherical flame front. The results were compared against published data for ethylene/air mixtures which yielded agreement within 5%. An attempt was made to measure the laminar flame speed for F-76 at a pressure of 5 atm and temperature of 500K; however, premixed conditions were unable to be met due to auto-ignition and vapor characteristics of F-76. Suggestions for future work provide a potential solution and improvement to the current design.




Laminar Combustion at High Temperatures and Pressures


Book Description

Burning velocities of practical fuel-air mixtures of interest for internal combustion engines were measured at high temperature and pressure using the constant volume bomb method. In addition the total hydrocarbons in the combustion products were measured using a flame ionization detector. The fuels investigated included methane, propane, isooctane, methanol and indolene. The measurements covered fuel-air equivalence ratios from 0.7 to 1.6, pressures from 0.4 to 50 atm., unburned gas temperature from 298 to 700 K and residual gas mass fractions from 0 to 0.2.




Laminar Burning Velocities and Laminar Flame Speeds of Multi-component Fuel Blends at Elevated Temperatures and Pressures


Book Description

Iso-octane, n-heptane, ethanol and their blends were tested in a constant volume combustion chamber to measure laminar burning velocities. The experimental apparatus was modified from the previous version to an automatically-controlled system. Accuracy and speed of data acquisition were improved by this modification. The laminar burning velocity analysis code was also improved for minimized error and fast calculation. A large database of laminar burning velocities at elevated temperatures and pressures was established using this improved experimental apparatus and analysis code. From this large database of laminar burning velocities, laminar flame speeds were extracted. Laminar flame speeds of iso-octane, n-heptane and blends were investigated and analysed to derive new correlations to predict laminar flame speeds of any blending ratio. Ethanol and ethanol blends with iso-octane and/or n-heptane were also examined to see the role of ethanol in the blends. Generally, the results for iso-octane and n-heptane agree with published data. Additionally, blends of iso-octane and n-heptane exhibited flame speeds that followed linear blending relationships. A new flame speed model was successfully applied to these fuels. Ethanol and ethanol blends with iso-octane and/or n-heptane exhibited a strongly non-linear blending relationship and the new flame speed model was not applied to these fuels. It was shown that the addition of ethanol into iso-octane and/or n-heptane accelerated the flame speeds.




Experimental and Theoretical Investigation of Low-Temperature Ignition in a Laminar Flow Reactor


Book Description

The main purpose of this dissertation is to investigate low-temperature ignition in detail. In the previous findings with conventional fuels such as diesel, gasoline, or jet fuels, first- and second-stage ignitions are observed in the negative temperature coefficient regime due to high- and low-temperature chemistry (LTC and HTC). As results from these investigations have shown, it is well-known that this temperature regime has high potential to reduce emission in applications. In general, these ignitions are observed sequentially (i.e., two ignition processes are observed as the overall-ignition). On the other hand, the importance of first-stage ignition due to low-temperature chemistry has been noted as one of the dominant phenomena in the overall-ignition process. In order to observe the ignition at low temperatures, a laminar flow reactor (LFR) has been developed. This LFR allows the experimental observations of only low-temperature ignition (i.e., first-stage ignition (FSI)). In other words, LFR extracts only FSI from the overall-ignition process. N-heptane, dimethyl ether and their mixtures are chosen as fuels. The entire LFR remains at isothermal conditions. Temperature increase due to the FSI in LFR and the products from FSI are experimentally measured. Numerical calculations are conducted to simulate the experiments. Based on the experimentally and numerically determined results theoretical models are established. Combustion and flame http://www.journals.elsevier.com/combustion-and-flame//a Combustion Science and Technology http://www.tandf.co.uk/journals/titles/00102202.html Combustion Theory and Modeling http://www.tandf.co.uk/journals/titles/13647830.asp Journal of combustion http://www.hindawi.com/journals/jc//a International Journal of Chemical Kinetics http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1097-4601 Proceedings of Combustion Institute http://www.journals.elsevier.com/proceedings-of-the-combustion-institute//a