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

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.

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.

This volume consists of edited papers presented at the International Symposion Gas Phase Chemical Reaction Systems: Experiments and Models 100 Years After Max Bodenslein, held at the Internationales Wissenschaftsforum Heidelberg (IWH) in Heidelberg during July 25-28, 1995. The intention of this symposion was to bring together leading researchers from the fields of reaction dynamics, kinetics, catalysis and reactive flow model ling to discuss and review the advances in the understanding of chemical kinetics about 100 years after Max Bodenstein's pioneering work on the "hydrogen iodine reaction", which he carried out at the Chemistry Institute of the University of Heidelberg. The idea to focus in his doctoral thesis [1] on this reaction was brought up by his supervisor Victor Meyer (successor of Robert Bunsen at the Chemistry Institute of the University of Heidelberg) and originated from the non reproducible behaviour found by Bunsen and Roscoe in their early photochemical investigations of the H2/Cl2 system [2] and by van't Hoff [3], and V. Meyer and co-workers [4] in their experiments on the slow combustion of H2/02 mixtures.

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.