The construction of combustion mechanisms

The chapter tries to give an up-to-date account of all the main mathematical tools which have been used for the construction, investigation and reduction of complex reaction mechanisms. However, there are reviews which discuss some of these methods in more detail. Frenklach [9] has reviewed several techniques, developed until 1989, for the reduction of combustion mechanisms. Application of reduced chemical mechanisms in turbulent combustion has been reviewed by Seshadri and Williams [10]. Warnatz [4] has reviewed the relation of combustion modelling to detailed reaction mechanisms. The recent review of Griffiths [11] concentrates mainly on global mechanisms for the description of low-temperature alkane combustion. The review of Turanyi [12] gives an almost full account until... 

A.S. Tomlin, T. Turanyi, and M J. Pilling. Mathematical Tools for the Construction. Investigation and Reduction of Combustion Mechanisms, volume 35 of Comprehensive Chemical Kinetics. Elsevier, Amsterdam, 1997. 

Mathematical Tools for the Construction, Investigation and Reduction of Combustion Mechanisms... 

In this chapter we have tried to give an introduction to most of the mathematical methods that have been used for the construction, investigation and reduction of combustion mechanisms. In terms of application, these methods differ very much in their present state and future prospects. Some have become well established techniques, and consequently are likely to be widely applied in the future. Others have only been introduced over the last few years, and although they have proven successful on a few test systems, they have yet to prove themselves on a wide range of applications. 

The construction of a comprehensive kinetic model to represent the oxidation of a hydrocarbon, incorporating the best available kinetic parameters, permits a quantitative link to be forged by numerical computation between detailed chemical measurements and the interpretation of the underlying kinetics and mechanism of the combustion system. The first step is the simulation of composition-time profiles for intermediate and final products under conditions resembling the experimental study, as a validation of the model itself. Further insight may then be gained into the... 

Tomlin, AS Turanyi, T Pilling, MJ Tomlin, AS Turanyi, T Pilling, MJ. Mathematical tools for the construction, investigation and reduction of combustion mechanisms in Low temperature combustion and autoignition, eds. M.J. Pilling and... 

Massias, A., Diamantis, D., Mastorakos, E. Goussis, D.A. (1999). An Algorithm for the Construction of Global Reduced Mechanisms With CSP Data, Combustion and Flame Vol. 117, p. 685-708. 

Apart from satisfactory mechanical properties, additional features are often required in product applications. One important requirement for construction applications is flame retardancy. Biocomposites are, however, flammable because they are composed of organic materials. To improve flame retardancy, addition of inorganic materials would be needed. Various flame retardants composing of halogens (Q, Br), heavy and transition metals (Zn, V, Pb, Sb), or phosphorus organic compounds may reduce the risk of combustion [39]. 

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