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Storage of Chemical Kinetic Information

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Cleaner Combustion

Part of the book series: Green Energy and Technology ((GREEN))

Abstract

This chapter describes various methods for storing chemical kinetic mechanistic information within combustion models. The most obvious way is the definition of the kinetic system of differential equations by a detailed reaction mechanism. Parameterisation of such reaction mechanisms is commented upon here. Another possible approach is to store the solution of the system of ordinary or partial differential equations that defines the model within look-up tables. Such data can then be “retrieved” during combustion simulations within complex reacting flow models instead of solving the kinetic system of differential equations, often at much lower computational cost. Several such methods for storage and retrieval are reviewed here. As an alternative approach, functional representations of the time dependant kinetic changes or the look-up table contents can be achieved, using for example polynomial functions or artificial neural networks and these are also discussed.

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Acknowledgments

TT acknowledges the financial support of OTKA grants K84054 and NN100523. AST acknowledges the financial support of EPSRC (GR/R39597/01).

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Authors and Affiliations

  1. Institute of Chemistry, Eötvös University (ELTE), Budapest, Hungary

    Tamás Turányi

  2. Energy Research Institute, University of Leeds, Leeds, LS29JT, UK

    Alison S. Tomlin

Authors
  1. Tamás Turányi
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  2. Alison S. Tomlin
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Correspondence to Tamás Turányi .

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Editors and Affiliations

  1. Laboratoire Reactions et Genie des Proce, ENSIC, Nancy Cedex, France

    Frédérique Battin-Leclerc

  2. Combustion Chemistry Centre, National University of Ireland, Galway, Ireland

    John M. Simmie

  3. Department of Energy Sciences, Division, University of Lund, Lund, Sweden

    Edward Blurock

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Turányi, T., Tomlin, A.S. (2013). Storage of Chemical Kinetic Information. In: Battin-Leclerc, F., Simmie, J., Blurock, E. (eds) Cleaner Combustion. Green Energy and Technology. Springer, London. https://doi.org/10.1007/978-1-4471-5307-8_19

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  • DOI: https://doi.org/10.1007/978-1-4471-5307-8_19

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