Combustion kinetic mechanisms

Additives, inhibition of detonation, 186-90 Air jet surface, I69f Aliphatic flames, formation of aromatic species, 3-16 Allene, rate coefficients for cyclopentadienyl cation reactions, 59t,60t,6lt Ammonia combustion, kinetic mechanism, 93,94f... 

Zhang Bao-sheng, Liu Jian-zhong, Zhou Jian-Hu, et al (2006). Popescu method for combustion kinetic mechanisms of coals. Proceedings of the CSEE 26... 

Law, C.K., A compilation of experimental data on laminar burning velocities. Reduced Kinetic Mechanisms for Application in Combustion, Eds. N. Peters and B. Rogg, Springer-Verlag, Heidelberg, Germany, pp. 15-26, 1993. 

The solution procedure to this equation is the same as described for the temporal isothermal species equations described above. In addition, the associated temperature sensitivity equation can be simply obtained by taking the derivative of Eq. (2.87) with respect to each of the input parameters to the model. The governing equations for similar types of homogeneous reaction systems can be developed for constant volume systems, and stirred and plug flow reactors as described in Chapters 3 and 4 and elsewhere [31-37], The solution to homogeneous systems described by Eq. (2.81) and Eq. (2.87) are often used to study reaction mechanisms in the absence of mass diffusion. These equations (or very similar ones) can approximate the chemical kinetics in flow reactor and shock tube experiments, which are frequently used for developing hydrocarbon combustion reaction mechanisms. 

Jr., A Comprehensive Kinetic Mechanism for CO, CH20, and CH3OH Combustion, Int.J. Chem. Kinet. 39, 109-136 (2007) Held, T., The Oxidation of Methanol, Isobutene, and Methyl tertiary-Butyl Ether, No. 1978-T, PJi.D. Dissertation, Princeton University, Princeton, NJ, 1993 Burgess, D. R. F., Jr, Zachariah, M. R., Tsang,... 

CHEMClean and CHEMDiffs The Comparison of Detailed Chemical Kinetic Mechanisms Application to the Combustion of Methane, Rolland, S. and Simmie, J. M. Int. J. Chem. Kinet. 36(9), 467 471, (2004). These programs may be used with CHEMKIN to (1) clean up an input mechanism file and (2) to compare two clean mechanisms. Refer to the website http //www. nuigalway.ie/chem/c3/software.htm for more information. 

Basevich, V. Ya., Chemical kinetics in the combustion processes A detailed kinetic mechanism and its implementation, Prog. Energy. Combust. Sci. 13, 199 (1987). 

Erenklach, M., H. Wang, and J. J. Rabinowitz. 1992. Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method — combustion of methane. Progress Energy Combustion Science 18 47-73. 

Rogg, B., and F. A. Williams. 1988. Structures of wet CO flames with full and reduced kinetic mechanisms. 22nd Symposium (International) on Combustion Proceedings. Pittsburgh, PA The Combustion Institute. 1441-51. 

Peters, N., and B. Rogg. 1993. Reduced kinetic mechanisms for applications in combustion systems. New York Springer-Verlag. 

Kinetic mechanisms involving multiple reactions are by far more frequently encountered than single reactions. In the simplest cases, this leads to reaction schemes in series (at least one component acts as a reactant in one reaction and as a product in another, as in (2.7)-(2.8)), or in parallel (at least one component acts as a reactant or as a product in more than one reaction), or to a combination series-parallel. More complex systems can have up to hundreds or even thousands of intermediates and possible reactions, as in the case of biological processes [12], or of free-radical reactions (combustion [16], polymerization [4]), and simple reaction pathways cannot always be recognized. In these cases, the true reaction mechanism mostly remains an ideal matter of principle that can be only approximated by reduced kinetic models. Moreover, the values of the relevant kinetic parameters are mostly unknown or, at best, very uncertain. 

B. Bhattacharjee, D.A. Schwer, P.I. Barton, and W.H. Green Jr. Optimally-reduced kinetic models reaction elimination in large-scale kinetic mechanisms. Combustion and Flame, 135 191-208,2003. 

Detailed kinetic mechanisms for the combustion of hydrocarbon fuels have been subjected to relatively intensive study in recent years. The mechanisms are complex and involve a variety of chain carriers. Fundamental to such studies are data on rates of elementary steps. Extensive compilations of rate information are becoming available [12], [39]-[47]. Users should realize that uncertainties remain in rates of various elementary steps. Since these uncertainties sometimes exceed an order of magnitude, studies of... 

Accurate specifications of kinetic mechanisms for combustion often are less critical to calculation of overall rates of heat release than to estimation of amounts of pollutants produced. Pollutants of primary interest are oxides of nitrogen, oxides of sulfur, unburned hydrocarbons, and particulates such as smoke or soot [12]. A primary mechanism by which nitric oxide is formed in flames is that attributed to Zel dovich, namely,... 

Production of soot in hydrocarbon combustion is a complicated kinetic process involving transformations of fuel molecules in fuel-rich zones under the influence of heat (called pyrolysis) to produce new fuel molecules that contain more C and less H than the original molecules. The elementary steps involved are so numerous that simplifying approximations are essential for both efficient computation of soot production and development of understanding of the kinetic mechanisms. Progress is being made toward discovery of suitable simplications [49]. It is known that small... 

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