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

  • 1st Edition, Volume 45 - June 6, 2019
  • Latest edition
  • Editors: Tiziano Faravelli, Flavio Manenti, Eliseo Ranzi
  • Language: English

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 appli… Read more

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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.

Key features

  • 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

Readership

Chemical, mechanical, energy, process, process system, and environmental engineers, PhD students, and researchers

Table of contents

Part I: Kinetic Mechanisms

1. Thermochemistry
Branko Ruscic, David H. Bross

2. Ab initio kinetics for pyrolysis and combustion systems
Stephen J. Klippenstein, Carlo Cavallotti

3. Shock tube techniques for kinetic target data to improve reaction models
Shengkai Wang, David F. Davidson, Ronald K. Hanson

4. Rate rules and reaction classes
Kun Wang, Anthony M. Dean

5. Automatic generation of reaction mechanisms
William H. Green

6. Kinetic modeling of the pyrolysis chemistry of fossil and alternative feedstocks
Kevin Van Geem

7. Detailed kinetics of fossil and renewable fuel combustion
Charles K. Westbrook, Henry J. Curran

8. Experiments for kinetic mechanism assessment
Philippe Dagaut

9. Detailed feedstock characterization for pyrolysis process
Eliseo Ranzi, Sauro Pierucci, Mario Dente, Marco van Goethem, Eric Wagner

10. Surrogate fuels and combustion characteristics of liquid transportation fuels
Stephen Dooley, Sang Hee Won, Frederick L. Dryer

11. Detailed Kinetic Mechanisms of Pollutant Formation in Combustion Processes
Peter Glarborg

12. Detailed kinetic mechanisms of PAH and soot formation
Andrea D’Anna, Mariano Sirignano

Part II: Numerical Methods and Model Validation

13. Numerical modeling of reacting systems with detailed kinetic mechanisms
Alberto Cuoci

14. Uncertainty quantification and mnimization
Hai Wang

15. Addressing the complexity of combustion kinetics: Data management and automatic model validation
Matteo Pelucchi, Alessandro Stagni, Tiziano Faravelli

16. Model reduction and lumping procedures
Perrine Pepiot, Liming Cai, Heinz Pitsch

Part III: Industrial Applications

17. Coil design for optimal ethylene yields
Marco van Goethem, Peter Oud, Jelle-Gerard Wijnja, Rajaram Ramesh

18. Model predictive control and dynamic real-time optimization of steam cracking units
Francesco Rossi, Maurizio Rovaglio, Flavio Manenti

19. Introducing chemical kinetics into large eddy simulation of turbulent reacting flows
Eleonore Riber, B

20. Burners for reformers and cracking furnaces
Charles E. Baukal, Mark Vaccari, Michael G. Claxton

Product details

  • Edition: 1
  • Latest edition
  • Volume: 45
  • Published: June 19, 2019
  • Language: English

About the editors

TF

Tiziano Faravelli

Tiziano Faravelli (Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano) is highly experienced in kinetics and computational fluid dynamics modeling. He also works on integration of lumped kinetic models in CFD codes for detailed studies of reactive environments. He is the author of more than 200 peer-reviewed papers on the topic and is the Leader of the CRECK Modeling Group at Politecnico di Milano (http://creckmodeling.chem.polimi.it).
Affiliations and expertise
Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, Milano, Italy

FM

Flavio Manenti

Flavio Manenti (Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano) is experienced in chemical process simulations for design and operational purposes. He developed AG2S™ technology for thermal conversion of CO2 and codeveloped BzzMath library. He is the author of peer-reviewed papers and books on the topic and is the President of the Computer Aided Process Engineering (CAPE) Working Party at the European Federation of Chemical Engineering.
Affiliations and expertise
Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, Milano, Italy

ER

Eliseo Ranzi

Eliseo Ranzi (Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano) is highly experienced in kinetic modeling of complex reaction systems, including pyrolysis, gasification, and combustion. He has authored many peer-reviewed papers on the topic. Notably, he also developed SPYRO package, which nowadays is commercialized by Pyrotec-Technip NL for industrial crackers.
Affiliations and expertise
Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, Milano, Italy

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