Gas Phase Pyrolytic Reactions

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

Flash Vacuum Thermolysis (FVT) techniques have become well-established methods and occupy an increasingly important place in synthesis. Gas Phase Reactions in Organic Synthesis is a complete review of the applications of flash vacuum thermolysis in organic chemistry; it features new developments in FVT, flow thermolysis and vacuum gas-solid reactions which have appeared in scientific literature since 1980.

Offers a physical organic chemistry and mechanistic perspective of the chemistry of thermal processes in the gas phase The book looks at all aspects of the chemical processing technique called gas-phase pyrolysis, including its methodology and reactors, synthesis, reaction mechanisms, structure, kinetics, and applications. It discusses combinations of pyrolytic reactors with physiochemical techniques, routes for and reactions for the synthesis of organic compounds, and the control of reaction rates. Gas-Phase Pyrolytic Reactions: Synthesis, Mechanisms, and Kinetics starts with in-depth chapter coverage of static pyrolysis, dynamic flow pyrolysis, and analytical pyrolysis. It then examines synthesis and applications, including flash vacuum pyrolysis in organic synthesis, elimination of HX, elimination of CO and CO2, pyrolysis of Meldrum’s acid derivatives, and elimination of N2. A chapter on reaction mechanism comes next and includes coverage of retero-ene reaction and reactive intermediates. Following that are sections covering: structure/reactivity correlation, functional group & structural frame interconversions; gas-phase pyrolysis of hydrazones and phosphorus Ylides; and more. Deals with a growing area of chemistry and engineering interest that fits under the practices of green and sustainable chemistry Addresses several important aspects: methodology and reactors, synthesis, reaction mechanisms, structure, kinetics, and applications Reviews general methods of pyrolysis techniques Sets out the fundamentals and advantages of gas-phase pyrolysis in a way that illustrates its wide potential applications Gas-Phase Pyrolytic Reactions: Synthesis, Mechanisms, and Kinetics will appeal to organic chemists, physical organic chemists, chemical engineers and anyone interested in green/sustainable chemistry, chemical synthesis, or process chemistry.

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

The present report highlights applications of mass spectrometric techniques in the analysis of low-pressure pyrolytic reactions, based on work carried out at the Chemistry Department, Ris0 National Laboratory. The Ris0 contributions ot this field of research started in 1979. The studies at Ris0 have all been carried out in close collaboration with Helge Egsgaard. Other collaborators have been Ernst Schaumann (Hamburg), David N. Harpp (Montreal), Gordon H. Whitham (Oxford), Susanne Elbel (Hamburge), and Elfinn Larsen, Palle Pagsberg, and Peter Bo (Ris0). The major part of the work summarized in the present report has previously been published in the below mentioned 18 papers. Reprints of these papers are included in this report as appendices 1-18. For a more detailed description of the technique, and especially the applications the appendices 1-7 and 8-18, respectively, should be consulted. (MJM).

The present report highlights applications of mass spectrometric techniques in the analysis of low-pressure pyrolytic reactions, based on work carried out at the Chemistry Department, Ris0 National Laboratory. The Ris0 contributions ot this field of research started in 1979. The studies at Ris0 have all been carried out in close collaboration with Helge Egsgaard. Other collaborators have been Ernst Schaumann (Hamburg), David N. Harpp (Montreal), Gordon H. Whitham (Oxford), Susanne Elbel (Hamburge), and Elfinn Larsen, Palle Pagsberg, and Peter Bo (Ris0). The major part of the work summarized in the present report has previously been published in the below mentioned 18 papers. Reprints of these papers are included in this report as appendices 1-18. For a more detailed description of the technique, and especially the applications the appendices 1-7 and 8-18, respectively, should be consulted. (MJM).