Abstract
This chapter gives two methods of analysing complex reaction mechanisms:
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• the sensitivity analysis allows the negligible and the determining reactions to be detected, and also to find links between determining kinetic parameters;
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• the analysis of the chemical fluxes leads to the generation of reaction schemes which are useful for an intuitive understanding of the way in which the reaction takes place.
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Further Reading
CôME G.M., The use of computers in the analysis and simulation of complex reactions, Comprehensive Chem. Kin., vol. 24, chap. 3 (1983).
CôME G.M., Mechanistic modelling of homogeneous reactors: a numerical method, Comp. & Chem. Eng., 3, 603 (1979).
GLAUDE P.A., WARTH V., FOURNET R., BATTIN-LECLERC F., CôME G.M., SCACCHI G., Modelling ofn-heptane and iso-octane oxidation at low temperature by using computer-aided designed mechanisms, Bull. Soc. Chim. Belg., 106. 343 (1997).
TOMLIN A.S., TURANYI T., PILLING M.J., Mathematical tools for the construction, investigation and reduction of combustion mechanisms, Comprehensive Chem. Kin., vol. 35, chap. 4 (1997).
VARMA A., MORBIDELLI M., WU H., Parametric Sensitivity in Chemical Systems, Cambridge Univ. Press (1999).
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© 2001 Springer Science+Business Media Dordrecht
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Côme, GM. (2001). Analysis and Reduction of Reaction Mechanisms. In: Gas-Phase Thermal Reactions. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-9805-7_14
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DOI: https://doi.org/10.1007/978-94-015-9805-7_14
Publisher Name: Springer, Dordrecht
Print ISBN: 978-90-481-5834-8
Online ISBN: 978-94-015-9805-7
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