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Battin-Leclerc F. Cleaner Combustion: Developing Detailed Chemical Kinetic Models

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Battin-Leclerc F. Cleaner Combustion: Developing Detailed Chemical Kinetic Models
Springer-Verlag London, 2013. 657 p. — ISBN 978-1-4471-5306-1, ISBN 978-1-4471-5307-8 (eBook). — (Green Energy and Technology).
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.
Contents
Introduction
Frédérique Battin-Leclerc, Edward Blurock, John M. Simmie, María U. Alzueta, Alison S. Tomlin and Matthias Olzmann
Development of Detailed Kinetic Models: The Particular Case of Fuels Obtained from Biomass
Modeling Combustion with Detailed Kinetic Mechanisms
Edward S. Blurock and Frédérique Battin-Leclerc
Automatic Generation of Detailed Mechanisms
Edward S. Blurock, Frédérique Battin-Leclerc, Tiziano Faravelli and William H. Green
Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components
Frédérique Battin-Leclerc, Henry Curran, Tiziano Faravelli and Pierre A. Glaude
Multistep Kinetic Model of Biomass Pyrolysis
Tiziano Faravelli, Alessio Frassoldati, Emma Barker Hemings and Eliseo Ranzi
Obtaining Reliable Experimental Data to Validate Models Under a Wide Range of Experimental Conditions
Speciation in Shock Tubes
Kenji Yasunaga and Robert S. Tranter
Rapid Compression Machines
Alan Kéromnès
Jet-Stirred Reactors
Olivier Herbinet and Guillaume Dayma
Tubular Flow Reactors
Fabiola Monge, Veronica Aranda, Angela Millera, Rafael Bilbao and María U. Alzueta
Flame Studies of Oxygenates
Elna J. K. Nilsson and Alexander A. Konnov
Experimental Studies and Modeling of PAH and Soot Formation
Formation and Characterization of Polyaromatic Hydrocarbons
Nazly E. Sánchez, Alicia Callejas, Jesús Salafranca, Ángela Millera, Rafael Bilbao and María U. Alzueta
Laser Diagnostics for Selective and Quantitative Measurement of PAHs and Soot
avier Mercier, Alessandro Faccinetto and Pascale Desgroux
Characterization of Soot
Cristina Arnal, Michela Alfè, Valentina Gargiulo, Anna Ciajolo, María U. Alzueta, Ángela Millera and Rafael Bilbao
An Advanced Multi-Sectional Method for Particulate Matter Modeling in Flames
Andrea D’Anna and Mariano Sirignano
Modelling Soot Formation: Model of Particle Formation
Edward K. Y. Yapp and Markus Kraft
Methods for Mechanism Reduction and Uncertainty Analysis
Investigation and Improvement of Reaction Mechanisms
Using Sensitivity Analysis and Optimization
Alison S. Tomlin and Tamás Turányi
Mechanism Reduction to Skeletal Form and Species Lumping
Alison S. Tomlin and Tamás Turányi
Time-Scale Splitting-Based Mechanism Reduction
Ulrich Maas and Alison S. Tomlin
Storage of Chemical Kinetic Information
Tamás Turányi and Alison S. Tomlin
Thermodynamic and Kinetic Parameters for Elementary Chemical Steps
Calculation of Molecular Thermochemical Data and Their Availability in Databases
Elke Goos and György Lendvay
Statistical Rate Theory in Combustion: An Operational Approach
Matthias Olzmann
Primary Products and Branching Ratios for Combustion Multi-Channel Bimolecular Reactions from Crossed Molecular Beam Studies
Nadia Balucani, Francesca Leonori and Piergiorgio Casavecchia
Kinetic Studies of Elementary Chemical Steps with Relevance in Combustion and Environmental Chemistry
Christa Fittschen
Shock Tube Studies of Combustion Relevant Elementary Chemical Reactions and Submechanisms
Robert S. Tranter and Kenneth Brezinsky
Index
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