Download or read book A CHEMICAL KINETIC REACTION MECHANISM AND THERMODYNAMIC DATABASE FOR FUEL RICH HYDROCARBON COMBUSTION MODELING written by EMERY. PUSKAS and published by . This book was released on 1993 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Combustion written by Jürgen Warnatz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combustion is an old technology, which at present provides about 90% of our worldwide energy support. Combustion research in the past used fluid mechanics with global heat release by chemical reactions described with thermodynamics, assuming infinitely fast reactions. This approach was useful for stationary combustion processes, but it is not sufficient for transient processes like ignition and quenching or for pollutant formation. Yet pollutant formation during combustion of fossil fuels is a central topic and will continue to be so in future. This book provides a detailed and rigorous treatment of the coupling of chemical reactions and fluid flow. Also, combustion-specific topics of chemistry and fluid mechanics are considered, and tools described for the simulation of combustion processes. For the 2nd edition, the parts dealing with experiments, spray combustion, and soot were thoroughly revised.
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 Combustion written by J. Warnatz and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a rigorous treatment of the coupling of chemical reactions and fluid flow. Combustion-specific topics of chemistry and fluid mechanics are considered and tools described for the simulation of combustion processes. This edition is completely restructured. Mathematical Formulae and derivations as well as the space-consuming reaction mechanisms have been replaced from the text to appendix. A new chapter discusses the impact of combustion processes on the atmosphere, the chapter on auto-ignition is extended to combustion in Otto- and Diesel-engines, and the chapters on heterogeneous combustion and on soot formation are heavily revised.
Download or read book Combustion written by Jürgen Warnatz and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combustion is an old technology, which at present provides about 90% of our worldwide energy support. Combustion research in the past used fluid mechanics with global heat release by chemical reactions described with thermodynamics, assuming infinitely fast reactions. This approach was useful for stationary combustion processes, but it is not sufficient for transient processes like ignition and quenching or for pollutant formation. Yet pollutant formation during combustion of fossil fuels is a central topic and will continue to be so in future. This book provides a detailed and rigorous treatment of the coupling of chemical reactions and fluid flow. Also, combustion-specific topics of chemistry and fluid mechanics are considered, and tools described for the simulation of combustion processes.
Download or read book Summary Report on the Workshop on High Temperature Chemical Kinetics Applications to Combustion Research written by National Measurement Laboratory (U.S.) and published by . This book was released on 1978 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Combustion Chemistry written by W. C. Jr. Gardiner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: Detailed study of the rates and mechanisms of combustion reactions has not been in the mainstream of combustion research until the recent recognition that further progress in optimizing burner performance and reducing pollutant emission can only be done with fundamental understanding of combustion chemistry. This has become apparent at a time when our understanding of the chemistry, at least of small-molecule combustion, and our ability to model combustion processes on large computers have developed to the point that real confidence can be placed in the results. This book is an introduction for outsiders or beginners as well as a reference work for people already active in the field. Because the spectrum of combustion scientists ranges from chemists with little computing experience to engineers who have had only one college chemistry course, everything needed to bring all kinds of beginners up to the level of current practice in detailed combustion modeling is included. It was a temptation to include critical discussions of modeling results and computer programs that would enable outsiders to start quickly into problem solving. We elected not to do either, because we feel that the former are better put into the primary research literature and that people who are going to do combustion modeling should either write their own programs or collaborate with experts. The only exception to this is in the thermochemical area, where programs have been included to do routine fitting operations. For reference purposes there are tables of thermochemical, transport-property, and rate coefficient data.
Download or read book Gas Phase Combustion Chemistry written by W.C., Jr. Gardiner and published by Springer Science & Business Media. This book was released on 1999-12-10 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superseding Gardiner's "Combustion Chemistry", this is an updated, comprehensive coverage of those aspects of combustion chemistry relevant to gas-phase combustion of hydrocarbons. The book includes an extended discussion of air pollutant chemistry and aspects of combustion, and reviews elementary reactions of nitrogen, sulfur and chlorine compounds that are relevant to combustion. Methods of combustion modeling and rate coefficient estimation are presented, as well as access to databases for combustion thermochemistry and modeling.
Download or read book Combustion written by Irvin Glassman and published by Elsevier. This book was released on 1997-01-08 with total page 651 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Third Edition of Glassman's classic text clearly defines the role of chemistry, physics, and fluid mechanics as applied to the complex topic of combustion. Glassman's insightful introductory text emphasizes underlying physical and chemical principles, and encompasses engine technology, fire safety, materials synthesis, detonation phenomena, hydrocarbon fuel oxidation mechanisms, and environmental considerations. Combustion has been rewritten to integrate the text, figures, and appendixes, detailing available combustion codes, making it not only an excellent introductory text but also an important reference source for professionals in the field. Key Features * Explains complex combustion phenomena with physical insight rather than extensive mathematics * Clarifies postulates in the text using extensive computational results in figures * Lists modern combustion programs indicating usage and availability * Relates combustion concepts to practical applications
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 2019-06-06 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 Reduced Kinetic Mechanisms for Applications in Combustion Systems written by Norbert Peters and published by Springer Science & Business Media. This book was released on 2008-09-11 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: In general, combustion is a spatially three-dimensional, highly complex physi co-chemical process oftransient nature. Models are therefore needed that sim to such a degree that it becomes amenable plify a given combustion problem to theoretical or numerical analysis but that are not so restrictive as to distort the underlying physics or chemistry. In particular, in view of worldwide efforts to conserve energy and to control pollutant formation, models of combustion chemistry are needed that are sufficiently accurate to allow confident predic tions of flame structures. Reduced kinetic mechanisms, which are the topic of the present book, represent such combustion-chemistry models. Historically combustion chemistry was first described as a global one-step reaction in which fuel and oxidizer react to form a single product. Even when detailed mechanisms ofelementary reactions became available, empirical one step kinetic approximations were needed in order to make problems amenable to theoretical analysis. This situation began to change inthe early 1970s when computing facilities became more powerful and more widely available, thereby facilitating numerical analysis of relatively simple combustion problems, typi cally steady one-dimensional flames, with moderately detailed mechanisms of elementary reactions. However, even on the fastest and most powerful com puters available today, numerical simulations of, say, laminar, steady, three dimensional reacting flows with reasonably detailed and hence realistic ki netic mechanisms of elementary reactions are not possible.
Download or read book Automatic Reaction Mechanism Generation written by Connie Wu Gao and published by . This book was released on 2016 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: Growing awareness of climate change and the risks associated with our society's dependence on fossil fuels has motivated global initiatives to develop economically viable, renewable energy sources. However, the transportation sector remains a major hurdle. Although electric vehicles are becoming more mainstream, the transportation sector is expected to continue relying heavily on combustion engines, particularly in the freight and airline industries. Therefore, research efforts to develop cleaner combustion must continue. This includes the development of more efficient combustion engines, identification of compatible alternative fuels, and the streamlining of existing petroleum resources. These dynamic systems have complex chemistry and are often difficult and expensive to probe experimentally, making detailed chemical kinetic modeling an attractive option for simulating and predicting macroscopic observables such as ignition delay or CO2 concentrations. This thesis presents several methods and applications towards high fidelity predictive modeling using Reaction Mechanism Generator (RMG), an open source software package which automatically constructs kinetic mechanisms. Several sources contribute to model error during automatic mechanism generation, including incomplete or incorrect handling of chemistry, poor estimation of thermodynamic and kinetics parameters, and uncertainty propagation. First, an overview of RMG is presented along with algorithmic changes for handling incomplete or incorrect chemistry. Completeness of chemistry is often limited by CPU speed and memory in the combinational problem of generating reactions for large molecules. A method for filtering reactions is presented for efficiently and accurately building models for larger systems. An extensible species representation was also implemented based on chemical graph theory, allowing chemistry to be extended to lone pairs, charges, and variable valencies. Several chemistries are explored in this thesis through modeling three combustion related processes. Ketone and cyclic ether chemistry are explored in the study of diisoproyl ketone and cineole, biofuel candidates produced by fungi in the decomposition of cellulosic biomass. Detailed kinetic modeling in conjunction with engine experiments and metabolic engineering form a collaborative feedback loop that efficiently screens biofuel candidates for use in novel engine technologies. Next, the challenge of modeling constrained cyclic geometries is tackled in generating a combustion model of JP-10, a synthetic jet fuel used in propulsion technologies. The model is validated against experimental and literature data and succeeds in capturing key product distributions, including aromatic compounds, which are precursors to polyaromatic hydrocarbons (PAHs) and soot. Finally, oil-to-gas cracking processes under geological conditions are studied through modeling the low temperature pyrolysis of the heavy oil analog phenyldodecane in the presence of diethyldisulfide. This system is used to gather mechanistic insight on the observation that sulfur-rich kerogens have accelerated oil-to-gas decomposition, a topic relevant to petroleum reservoir modeling. The model shows that free radical timescales matter in low temperature systems where alkylaromatics are relatively stable. Local and global uncertainty propagation methods are used to analyze error in automatically generated kinetic models. A framework for local uncertainty analysis was implemented using Cantera as a backend. Global uncertainty analysis was implemented using adaptive Smolyak pscudospcctral approximations to efficiently compute and construct polynomial chaos expansions (PCE) to approximate the dependence of outputs on a subset of uncertain inputs. Both local and global methods provide similar qualitative insights towards identifying the most influential input parameters in a model. The analysis shows that correlated uncertainties based on kinetics rate rules and group additivity estimates of thermochemistry drastically reduce a model's degrees of freedom and can have a large impact on model outputs. These results highlight the necessity of uncertainty analysis in the mechanism generation workflow. This thesis demonstrates that predictive chemical kinetics can aid in the mechanistic understanding of complex chemical processes and contributes new methods for refining and building high fidelity models in the automatic mechanism generation workflow. These contributions are available to the kinetics community through the RMG software package.
Download or read book Combustion 2e written by Irvin Glassman and published by Elsevier. This book was released on 2012-12-02 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combustion, Second Edition focuses on the underlying principles of combustion and covers topics ranging from chemical thermodynamics and flame temperatures to chemical kinetics, detonation, ignition, and oxidation characteristics of fuels. Diffusion flames, flame phenomena in premixed combustible gases, and combustion of nonvolatile fuels are also discussed. This book consists of nine chapters and begins by introducing the reader to heats of reaction and formation, free energy and the equilibrium constants, and flame temperature calculations. The next chapter explores the rates of reactions and their temperature dependency; simultaneous interdependent and chain reactions; pseudo-first-order reactions; the partial equilibrium assumption; and pressure effect in fractional conversion. The chain branching reactions and criteria for explosion explosion are then considered, along with the limits and oxidation characteristics of fuels such as hydrogen, carbon monoxide, and hydrocarbons. The remaining chapters look at the laminar flame speed and stability limits of laminar flames; deflagration and detonation; burning in convective atmospheres; and the theory of thermal ignition. The final chapter is devoted to the burning of nonvolatile fuels such as coal. This monograph will be a valuable resource for students and teachers of physics.
Download or read book Chemical Kinetics of the Gas Phase Combustion of Fuels written by Francis Westley and published by . This book was released on 1976 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Work supported by the Office of Standard Reference Data, National Bureau of Standards, Naval Sea Systems Command, Department of the Navy, and Division of Conservation, Research and Technology, Energy Research and Development Administration.
Download or read book Key Factors of Combustion written by Nikolai M. Rubtsov and published by Springer. This book was released on 2016-11-13 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the main advances in the mechanisms of combustion processes. It focuses on the analysis of kinetic mechanisms of gas combustion processes and experimental investigation into the interrelation of kinetics and gas dynamics in gas combustion. The book is complimentary to the one previously published, The Modes of Gaseous Combustion.
Download or read book Analytic Combustion written by Anil Waman Date and published by Springer Nature. This book was released on 2020-03-09 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended to serve as a textbook for advanced undergraduate and graduate students as well as professionals engaged in application of thermo-fluid science to the study of combustion. The relevant thermo-chemistry and thermo-physical data required for this study are provided in the 6 appendices along with appropriate curve-fit coefficients. To facilitate gradual learning, two chapters are devoted to thermodynamics of pure and gaseous mixture substances, followed by one chapter each on chemical equilibrium and chemical kinetics. This material when coupled with a dedicated chapter on understanding of equations governing transport of momentum, heat and mass in the presence of chemical reactions provides adequate grounding to undertake analysis of practical combustion equipment, of premixed and diffusion flames as well as of solid particle and liquid droplet combustion. The learnings from the aforementioned chapters are taken to a uniquely strong chapter on application case studies, some of which have special relevance for developing countries.
Download or read book Principles of Combustion written by Kenneth K. Kuo and published by Wiley-Interscience. This book was released on 1986 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive text covers principles and applications with an emphasis on the theoretical modeling of combustion. Addresses chemical thermodynamics and kinetics, conservation equations for multi-component reacting flows, deflagration and detonation waves, premixed laminar flames, spray combustion of fuel droplets, ignition, and related topics. Many examples are included to demonstrate the application of theory. Emphasizes the use of digital computers for solutions.
