Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion

著者名：Faravelli, Tiziano (EDT)/Manenti, Flavio (EDT)/Ranzi, Eliseo (EDT)

Elsevier（2019/06/06発売）

• 言語：ENG
• ISBN：9780128195796
• eISBN：9780444640888

Description

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

Table of Contents

Part I: Kinetic Mechanisms1. ThermochemistryBranko Ruscic, David H. Bross2. Ab initio kinetics for pyrolysis and combustion systemsStephen J. Klippenstein, Carlo Cavallotti3. Shock tube techniques for kinetic target data to improve reaction modelsShengkai Wang, David F. Davidson, Ronald K. Hanson4. Rate rules and reaction classesKun Wang, Anthony M. Dean5. Automatic generation of reaction mechanismsWilliam H. Green6. Kinetic modeling of the pyrolysis chemistry of fossil and alternative feedstocksKevin Van Geem7. Detailed kinetics of fossil and renewable fuel combustionCharles K. Westbrook, Henry J. Curran8.  Experiments for kinetic mechanism assessmentPhilippe Dagaut9. Detailed feedstock characterization for pyrolysis processEliseo Ranzi, Sauro Pierucci, Mario Dente, Marco van Goethem, Eric Wagner10. Surrogate fuels and combustion characteristics of liquid transportation fuelsStephen Dooley, Sang Hee Won, Frederick L. Dryer11. Detailed Kinetic Mechanisms of Pollutant Formation in Combustion ProcessesPeter Glarborg12. Detailed kinetic mechanisms of PAH and soot formationAndrea D'Anna, Mariano SirignanoPart II: Numerical Methods and Model Validation13. Numerical modeling of reacting systems with detailed kinetic mechanismsAlberto Cuoci14. Uncertainty quantification and mnimizationHai Wang15. Addressing the complexity of combustion kinetics: Data management and automatic model validationMatteo Pelucchi, Alessandro Stagni, Tiziano Faravelli16. Model reduction and lumping proceduresPerrine Pepiot, Liming Cai, Heinz PitschPart III: Industrial Applications17. Coil design for optimal ethylene yieldsMarco van Goethem, Peter Oud, Jelle-Gerard Wijnja, Rajaram Ramesh18. Model predictive control and dynamic real-time optimization of steam cracking unitsFrancesco Rossi, Maurizio Rovaglio, Flavio Manenti19. Introducing chemical kinetics into large eddy simulation of turbulent reacting flowsEleonore Riber, B 20. Burners for reformers and cracking furnacesCharles E. Baukal, Mark Vaccari, Michael G. Claxton