Cleaner Combustion: Developing Detailed Chemical Kinetic Models

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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.

Author(s): Frédérique Battin-Leclerc, Edward S. Blurock, John M. Simmie (auth.), Frédérique Battin-Leclerc, John M. Simmie, Edward Blurock (eds.)
Series: Green Energy and Technology
Edition: 1
Publisher: Springer-Verlag London
Year: 2013

Language: English
Pages: 658
Tags: Renewable and Green Energy; Theoretical and Computational Chemistry; Atmospheric Protection/Air Quality Control/Air Pollution; Renewable and Green Energy; Biomaterials

Front Matter....Pages i-xiii
Introduction....Pages 1-14
Front Matter....Pages 15-15
Modeling Combustion with Detailed Kinetic Mechanisms....Pages 17-57
Automatic Generation of Detailed Mechanisms....Pages 59-92
Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components....Pages 93-109
Multistep Kinetic Model of Biomass Pyrolysis....Pages 111-139
Front Matter....Pages 141-141
Speciation in Shock Tubes....Pages 143-161
Rapid Compression Machines....Pages 163-181
Jet-Stirred Reactors....Pages 183-210
Tubular Flow Reactors....Pages 211-230
Flame Studies of Oxygenates....Pages 231-280
Front Matter....Pages 281-281
Formation and Characterization of Polyaromatic Hydrocarbons....Pages 283-302
Laser Diagnostics for Selective and Quantitative Measurement of PAHs and Soot....Pages 303-331
Characterization of Soot....Pages 333-362
An Advanced Multi-Sectional Method for Particulate Matter Modeling in Flames....Pages 363-388
Modelling Soot Formation: Model of Particle Formation....Pages 389-407
Front Matter....Pages 409-409
Investigation and Improvement of Reaction Mechanisms Using Sensitivity Analysis and Optimization....Pages 411-445
Mechanism Reduction to Skeletal Form and Species Lumping....Pages 447-466
Time-Scale Splitting-Based Mechanism Reduction....Pages 467-484
Storage of Chemical Kinetic Information....Pages 485-512
Front Matter....Pages 513-513
Calculation of Molecular Thermochemical Data and Their Availability in Databases....Pages 515-547
Front Matter....Pages 513-513
Statistical Rate Theory in Combustion: An Operational Approach....Pages 549-576
Primary Products and Branching Ratios for Combustion Multi-Channel Bimolecular Reactions from Crossed Molecular Beam Studies....Pages 577-606
Kinetic Studies of Elementary Chemical Steps with Relevance in Combustion and Environmental Chemistry....Pages 607-628
Shock Tube Studies of Combustion Relevant Elementary Chemical Reactions and Submechanisms....Pages 629-652
Back Matter....Pages 653-658