Download or read book Development of Reduced Chemical Kinetics for Combustion Simulations with Transportation Fuels written by Zhaoyu Luo and published by . This book was released on 2013 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Cleaner Combustion written by Frédérique Battin-Leclerc and published by Springer Science & Business Media. This book was released on 2013-09-06 with total page 657 pages. Available in PDF, EPUB and Kindle. Book excerpt: This overview compiles the on-going research in Europe to enlarge and deepen the understanding of the reaction mechanisms and pathways associated with the combustion of an increased range of fuels. Focus is given to the formation of a large number of hazardous minor pollutants and the inability of current combustion models to predict the formation of minor products such as alkenes, dienes, aromatics, aldehydes and soot nano-particles which have a deleterious impact on both the environment and on human health. Cleaner Combustion describes, at a fundamental level, the reactive chemistry of minor pollutants within extensively validated detailed mechanisms for traditional fuels, but also innovative surrogates, describing the complex chemistry of new environmentally important bio-fuels. Divided into five sections, a broad yet detailed coverage of related research is provided. Beginning with the development of detailed kinetic mechanisms, chapters go on to explore techniques to obtain reliable experimental data, soot and polycyclic aromatic hydrocarbons, mechanism reduction and uncertainty analysis, and elementary reactions. This comprehensive coverage of current research provides a solid foundation for researchers, managers, policy makers and industry operators working in or developing this innovative and globally relevant field.

Download or read book Chemical Kinetic Modeling of Advanced Transportation Fuels written by and published by . This book was released on 2009 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt: Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

Download or read book Development of Reduced Chemistry for Efficient Combustion Simulations written by Yufeng Liu and published by . This book was released on 2016 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Modeling and Simulation of Turbulent Combustion written by Santanu De and published by Springer. This book was released on 2017-12-12 with total page 663 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of state-of-the-art models for turbulent combustion, with special emphasis on the theory, development and applications of combustion models in practical combustion systems. It simplifies the complex multi-scale and nonlinear interaction between chemistry and turbulence to allow a broader audience to understand the modeling and numerical simulations of turbulent combustion, which remains at the forefront of research due to its industrial relevance. Further, the book provides a holistic view by covering a diverse range of basic and advanced topics—from the fundamentals of turbulence–chemistry interactions, role of high-performance computing in combustion simulations, and optimization and reduction techniques for chemical kinetics, to state-of-the-art modeling strategies for turbulent premixed and nonpremixed combustion and their applications in engineering contexts.

Download or read book Mathematical Modelling of Gas Phase Complex Reaction Systems Pyrolysis and Combustion written by and published by Elsevier. This book was released on 2019-06-21 with total page 1034 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows

Download or read book Combustion Chemistry and the Carbon Neutral Future written by Kenneth Brezinsky and published by Elsevier. This book was released on 2023-02-16 with total page 666 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the demands for cleaner, more efficient, reduced and zero carbon emitting transportation increase, the traditional focus of Combustion Chemistry research is stretching and adapting to help provide solutions to these contemporary issues. Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? presents a guide to current research in the field and an exploration of possible future steps as we move towards cleaner, greener and reduced carbon combustion chemistry. Beginning with a discussion of engine emissions and soot, the book goes on to discuss a range of alternative fuels, including hydrogen, ammonia, small alcohols and other bio-oxygenates, natural gas, syngas and synthesized hydrocarbon fuels. Methods for predicting and improving efficiency and sustainability, such as low temperature and catalytic combustion, chemical looping, supercritical fluid combustion, and diagnostic monitoring even at high pressure, are then explored. Some novel aspects of biomass derived aviation fuels and combustion synthesis are also covered. Combining the knowledge and experience of an interdisciplinary team of experts in the field, Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? is an insightful guide to current and future focus areas for combustion chemistry researchers in line with the transition to greener, cleaner technologies. Provides insight on current developments in combustion chemistry as a tool for supporting a reduced-carbon future Reviews modeling and diagnostic tools, in addition to key approaches and alternative fuels Includes projections for the future from leaders in the field, pointing current and prospective researchers to potentially fruitful areas for exploration

Download or read book A Quasi Dimensional SI Burn Rate Model for Carbon Neutral Fuels written by Sebastian Hann and published by Springer Nature. This book was released on 2021-02-09 with total page 163 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sebastian Hann describes the development of a quasi-dimensional burn rate model that enables the prediction of a fuel variation, without the need for a recalibration of the model. The model is valid for spark-ignition combustion engines powered by conventional and carbon-neutral fuels. Its high predictive ability was achieved by modeling the fuel-dependent laminar flame speed based on reaction kinetics calculations. In addition, the author discards a fuel influence on flame wrinkling by performing an engine measurement data analysis. He investigates the fuel influence on engine knock and models it via ignition delay times obtained from reaction kinetics calculations.

Download or read book Chemical Kinetics in Combustion and Reactive Flows Modeling Tools and Applications written by V. I. Naoumov and published by Cambridge University Press. This book was released on 2019-08-22 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduces advanced mathematical tools for the modeling, simulation, and analysis of chemical non-equilibrium phenomena in combustion and flows, following a detailed explanation of the basics of thermodynamics and chemical kinetics of reactive mixtures. Researchers, practitioners, lecturers, and graduate students will find this work valuable.

Download or read book Development of Skeletal Chemistry Mechanisms for Combustion Modeling written by Pamela Goyal and published by . This book was released on 2002 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Model Reduction and Dynamic Adaptive Hybrid Integration for Efficient Combustion Simulations written by Yang Gao and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Large-scale high-fidelity numerical simulation with detailed chemistry is an important approach to the study of combustion problems, which may involve turbulence and complex chemical reactions. However, detailed chemistry can involve a large number of species and reactions as well as severe chemical stiffness, resulting in high computational cost. This thesis presents a systematic study on reducing the computational cost of reacting flow simulations when detailed chemistry is involved. The effort includes reduction of chemical kinetic models and molecular diffusion, as well as development of advanced stiff chemistry solvers. First, a reduced kinetic model for ethylene/air with polycyclic aromatic hydrocarbons (PAHs) is developed for sooting flame simulations; reduced kinetic models are developed for n-dodecane as a jet fuel surrogate and for real jet fuels from detailed HyChem models by using a two-stage reduction method. Second, in addition to chemical kinetics, molecular diffusion is another important process in flames, and the mixture-averaged diffusion (MAD) model is frequently used in high-fidelity combustion simulations. However, the computational cost of the MAD model is typically a quadratic function of the number of species and can be high for large reaction models, necessitating the reduction of the MAD. Different approaches are therefore proposed to obtain small and accurate reduced models for the MAD. Third, in addition to model reduction, efficient stiff chemistry solvers can also substantially reduce the computation cost of combustion simulations. However, it is shown in the present study that the widely used operator splitting schemes can fail in error control for flames where significant radical sources are present in the transport term. Therefore, an advanced stiff chemistry solver, namely the dynamic adaptive hybrid integration (AHI), is developed as a substitute of the operator-splitting schemes to achieve higher accuracy and computational efficiency for such flame simulations.

Download or read book The Impact of Alternative Fuels on Combustion Kinetics written by and published by . This book was released on 2009 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt: The research targets the development of detailed kinetic models to quantitatively characterize the impact of alternative fuels on the performance of Navy turbines and diesel engines. Such impacts include kinetic properties such as cetane number, flame speed, and emissions as well as physical properties such as the impact of boiling point distributions on fuel vaporization and mixing. The primary focus will be Fischer-Tropsch liquids made from natural gas, coal or biomass. The models will include both the effects of operation with these alternative fuels as well as blends of these fuels with conventional petroleum-based fuels. The team will develop the requisite kinetic rules for specific reaction types and incorporate these into detailed kinetic mechanisms to predict the combustion performance of neat alternative fuels as well as blends of these fuels with conventional fuels. Reduced kinetic models will be then developed to allow solution of the coupled kinetics/transport problems. This is a collaboration between the Colorado School of Mines (CSM) and the Lawrence Livermore National Laboratory (LLNL). The CSM/LLNL team plans to build on the substantial progress made in recent years in developing accurate detailed chemical mechanisms for the oxidation and pyrolysis of conventional fuels. Particular emphasis will be placed upon reactions of the isoalkanes and the daughter radicals, especially tertiary radicals, formed by abstraction from the isoalkanes. The various components of the program are described. We have been developing the kinetic models for two iso-dodecane molecules, using the same kinetic modeling formalisms that were developed for the gasoline and diesel primary reference fuels. These mechanisms, and the thermochemical and transport coefficient submodels for them, are very close to completion at the time of this report, and we expect them to be available for kinetic simulations early in the coming year. They will provide a basis for prediction and selection of desirable F-T molecules for use in jet engine simulations, where we should be able to predict the ignition, combustion and emissions characteristics of proposed fuel components. These mechanisms include the reactions and chemical species needed to describe high temperature phenomena such as shock tube ignition and flammability behavior, and they will also include low temperature kinetics to describe other ignition phenomena such as compression ignition and knocking. During the past years, our hydrocarbon kinetics modeling group at LLNL has focused a great deal on fuels typical of gasoline and diesel fuel. About 10 years ago, we developed kinetic models for the fuel octane primary reference fuels, n-heptane [1] and iso-octane [2], which have 7 and 8 carbon atoms and are therefore representative of typical gasoline fuels. N-heptane represents the low limit of knock resistance with an octane number of 0, while iso-octane is very knock resistant with an octane number of 100. High knock resistance in iso-octane was attributed largely to the large fraction of primary C-H bonds in the molecule, including 15 of the 18 C-H bonds, and the high bond energy of these primary bonds plays a large role in this knock resistance. In contrast, in the much more ignitable n-heptane, 10 of its 16 C-H bonds are much less strongly bound secondary C-H bonds, leading to its very low octane number. All of these factors, as well as a similarly complex kinetic description of the equally important role of the transition state rings that transfer H atoms within the reacting fuel molecules, were quantified and collected into large kinetic reaction mechanisms that are used by many researchers in the fuel chemistry world.

Download or read book Modelling Diesel Combustion written by P. A. Lakshminarayanan and published by Springer Science & Business Media. This book was released on 2010-03-03 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phenomenology of Diesel Combustion and Modeling Diesel is the most efficient combustion engine today and it plays an important role in transport of goods and passengers on land and on high seas. The emissions must be controlled as stipulated by the society without sacrificing the legendary fuel economy of the diesel engines. These important drivers caused innovations in diesel engineering like re-entrant combustion chambers in the piston, lower swirl support and high pressure injection, in turn reducing the ignition delay and hence the nitric oxides. The limits on emissions are being continually reduced. The- fore, the required accuracy of the models to predict the emissions and efficiency of the engines is high. The phenomenological combustion models based on physical and chemical description of the processes in the engine are practical to describe diesel engine combustion and to carry out parametric studies. This is because the injection process, which can be relatively well predicted, has the dominant effect on mixture formation and subsequent course of combustion. The need for improving these models by incorporating new developments in engine designs is explained in Chapter 2. With “model based control programs” used in the Electronic Control Units of the engines, phenomenological models are assuming more importance now because the detailed CFD based models are too slow to be handled by the Electronic Control Units. Experimental work is necessary to develop the basic understanding of the pr- esses.

Download or read book Chemical Kinetic Modeling of Jet Fuel Surrogates written by Krithika Narayanaswamy and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Jet fuels, like typical transportation fuels, are mixtures of several hundreds of compounds belonging to different hydrocarbon classes. Their composition varies from one source to another, and only average fuel properties are known at best. In order to understand the combustion characteristics of the real fuels, and to address the problem of combustion control, computational studies using a detailed kinetic model to represent the real fuel, serves as a highly useful tool. However, the complexity of the real fuels makes it infeasible to simulate their combustion characteristics directly, requiring a simplified fuel representation to circumvent this difficulty. Typically, the real fuels are modeled using a representative surrogate mixture, i.e. a well-defined mixture comprised of a few components chosen to mimic the desired physical and chemical properties of the real fuel under consideration. Surrogates have been proposed for transportation fuels, including aviation fuels, and several kinetic modeling attempts for the proposed surrogates have also been made. However, (i) the fundamental kinetics of individual fuels, which make up the surrogate mixtures is not understood well, (ii) their combustion behavior at low through high temperatures has not been comprehensively validated, and this directly impacts the (iii) reliability of the multi-component reaction mechanism for a surrogate made up of these individual components. The present work is aimed at addressing the afore-mentioned concerns. The objective of this work is to develop a single, reliable kinetic model that can describe the oxidation of a few representative fuels, which are important components of transportation fuel surrogates, and thereby capture the specificities of the simpler, but still multi-component surrogates. The reaction mechanism is intended to well-represent the individual components as well as a multi-component surrogate for jet fuel made up of these fuel components. Further, this reaction mechanism is desired to be applicable at low through high temperatures, and be compact enough that chemical kinetic analysis is feasible. First, a representative compound for each of the major hydrocarbon classes found in the real jet fuel is identified. A surrogate for jet fuels is chosen to be comprised of n-dodecane (to represent normal alkanes), methylcyclohexane (to represent cyclic alkanes), and m-xylene (to represent aromatics). A Component Library approach is invoked for the development of a single, consistent, and reliable chemical scheme to accurately model this multi-component surrogate mixture. The chemical model is assembled in stages, starting with a base model and adding to it sub-mechanisms for the individual components of the surrogate, namely m- xylene, n-dodecane, and methylcyclohexane. The chemical model is validated comprehensively every time the oxidation pathways of a new component are incorporated into it and the experimental data is well captured by the simulations. In addition to the jet fuel surrogate, with the number of fuels described in the proposed reaction mechanism, a surrogate for the alternative Fischer-Tropsch fuels is also considered. Surrogates are defined for jet fuels and Fischer-Tropsch fuels by matching target properties important for combustion applications between the surrogate and the real fuel. The simulations performed using the proposed reaction mechanism, with the surrogates defined as fuels, are compared against global targets, such as ignition delays, flow reactor profiles, and flame speed measurements for representative jet fuels and Fischer-Tropsch fuels. The computations show promising agreement with these experimental data sets. The proposed reaction mechanism is well-suited to be used in real flow simulations of jet fuels. The proposed reaction mechanism has the ability to describe the kinetics of n- heptane, iso-octane, substituted aromatics, n-dodecane, and methylcyclohexane, all of which are important components of transportation fuel surrogates. Considering the large number of hydrocarbons whose kinetics are well described by this reaction mechanism, there are avenues for this reaction mechanism to be used to model other transportation fuels, such as gasoline, diesel, and alternative fuels, in addition to the jet and Fischer-Tropsch fuels discussed in the present study.

Download or read book Detailed and Reduced Kinetic Mechanisms in Low Emission Combustion Processes written by Sylvie Honnet and published by Cuvillier Verlag. This book was released on 2007-10-11 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this work is the application of the Representative Interactive Flamelet (RIF) model with detailed and reduced kinetics to describe the combustion processes with low-emission. Chemical kinetic reaction mechanisms are developed. Regarding the application of these mechanisms in the numerical simulation of combustion processes, the description of the formation of nitrous oxide is particularly taken into account. After the introduction in the topic, chapter 2 presents the conservation equations and the description of the turbulent flow and mixing field. The flamelet model and the RIF-concept are described: the chemical reaction kinetics is separately considered from the flow dynamics. This is possible due to the assumption of the existence of a very thin flame layer, in which the chemical processes take place. This flame layer, also considered as laminar in turbulent flows, is called flamelet. The calculation of the ignition, heat release and formation of nitrogen oxide with detailed kinetics is then possible. In chapter 3, a model for the calculation of three-dimensional combustion processes is presented. It is based on the flamelet model. To describe the formation of nitrous oxide, the consideration of the combustion as an unsteady process is very important. This is possible thanks to the use of unsteady flamelets. The flamelets are calculated interactive with the flow solver, each representative for a pathway of particle through the combustion chamber. The statistical way of fluid particle through the combustion chamber is described by the eulerian transport equations. In chapter 4, a chemical reaction mechanism is developed and validated with comparison with experimental results. Special attention is paid to the methane mechanism with consideration of nitrous oxide formation. This mechanism is reduced with steady-state assumptions. Furthermore, a pyrolysis and burnout model are presented, which are used for the simulation of the coal combustion in chapter 5. In chapter 5, simulation results for two different configurations are compared to experimental data. In the MILD combustion chamber, the formation of nitrous oxide is investigated with the use of the detailed and reduced kinetics presented in chapter 4. The Eulerian Particle Flamelet model is completed and used for the simulation of the gaseous phase during the coal combustion. Based on the results, it is shown that the flamelet model, coupled with the detailed and the reduced kinetics, is able to model low-emission combustion processes.

Download or read book Combustion Characterization and Kinetic Modeling in Reactive Flow Simulations written by Shuliang Zhang and published by . This book was released on 2014 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary objective of this research is to characterize fuel combustion in reactive flow simulations using advanced kinetic modeling and mechanism reduction tools. Since incorporating detailed chemical kinetic model in the realistic reactive flow simulations is a computationally challenging task due to the large size of detailed kinetic mechanism, it is of great interest to develop approaches for simplifying the kinetic models and reducing computational costs in reactive flow simulations. In this dissertation, we first extend the previously developed on-the-fly reduction approach to the characterization of complex biodiesel combustion using detailed biodiesel surrogate mechanism. Major combustion characteristics such as ignition, emission, as well as engine performance for biodiesel compared with conventional fossil fuels are studied. Although the incorporation of detailed biodiesel combustion mechanism in complex reactive flow simulation is enabled, the simulation is still highly time-consuming. To further alleviate the computational intensity, a hybrid reduction scheme coupling the on-the-fly reduction with global quasi-steady-state approximation (QSSA) is developed. The proposed hybrid reduction scheme is demonstrated in various reactive flow simulations including zero-dimensional PFR model, multidimensional HCCI engine CFD model, and realistic gas phase injector CFD simulations. A flux-based quasi-steady-state (QSS) species selection procedure is introduced to facilitate the demonstration of hybrid scheme. Finally, a novel computational framework integrating automated mechanism generation and on-the-fly reduction is proposed and implemented using a stepwise integration. The proposed framework is then demonstrated in methane oxidation case studies and shows a new way of conducting reactive flow simulation without having an actual mechanism before the simulation starts. The integration of automated mechanism generation and on-the-fly reduction is a promising technique to perform reactive flow simulations and has the potential to reduce the computational cost of the simulations. The work in this dissertation provides powerful tools and important insight for the incorporation of detailed chemical kinetics in the reactive flow simulations.

Download or read book Chemical Kinetic Models for HCCI and Diesel Combustion written by and published by . This book was released on 2010 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt: Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.