Book ChapterDOI
Rate Coefficients in the C/H/O System
J. Warnatz
- pp 197-360
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TLDR
In this article, a critical survey of reaction rate coefficient data important in describing high-temperature combustion of H2, CO, and small hydrocarbons up to C4 is presented.Abstract:
This chapter is a critical survey of reaction rate coefficient data important in describing high-temperature combustion of H2, CO, and small hydrocarbons up to C4. A recommended reaction mechanism and rate coefficient set is presented. The approximate temperature range for this mechanism is from 1200 to 2500 K, which therefore excludes detailed consideration of cool flames, low-temperature ignition, or reactions of organic peroxides or peroxy radicals. Low-temperature rate-coefficient data are presented, however, when they contribute to defining or understanding high-temperature rate coefficients. Because our current knowledge of reaction kinetics is incomplete, this mechanism is inadequate for very fuel-rich conditions (see Warnatz et al., 1982). For the most part, reactions are considered only when their rates may be important for modeling combustion processes. This criterion eliminates considering many reactions among minor species present at concentrations so low that reactions of these species cannot play an essential part in combustion processes. The philosophy in evaluating the rate-coefficient data was to be selective rather than exhaustive: Recent results obtained with experimental methods capable of measuring isolated elementary reaction rate parameters directly were preferred, while results obtained using computer simulations of complex reacting systems were considered only when sensitivity to a particular elementary reaction was demonstrated or when direct measurements are not available. Theoretical results were not considered.read more
Citations
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Journal ArticleDOI
Mechanism and modeling of nitrogen chemistry in combustion
James A. Miller,Craig T. Bowman +1 more
TL;DR: In this article, the mechanisms and rate parameters for the gas-phase reactions of nitrogen compounds that are applicable to combustion-generated air pollution are discussed and illustrated by comparison of results from detailed kinetics calculations with experimental data.
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TL;DR: In this paper, the authors present multicomponent flow models derived from the kinetic theory of gases and investigate the symmetric hyperbolic-parabolic structure of the resulting system of partial differential equations.
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A Comprehensive Reaction Mechanism For Carbon Monoxide/Hydrogen/Oxygen Kinetics
TL;DR: In this article, a comprehensive reaction mechanism for the oxidation of carbon monoxide in the presence of hydrogen is described, and model predictions are compared with experimental data over wide ranges of physical conditions.
Journal ArticleDOI
The reaction kinetics of dimethyl ether. I: High‐temperature pyrolysis and oxidation in flow reactors
TL;DR: Dimethyl ether reaction kinetics at high temperature were studied in two different flow reactors under highly dilute conditions, with the equivalence ratio varying from 0.32 ≤ ϕ ≤ 3.4 as discussed by the authors.
Journal ArticleDOI
Detailed Modeling of PAH Profiles in a Sooting Low-Pressure Acetylene Flame
Michael Frenklach,Jürgen Warnatz +1 more
TL;DR: In this paper, a detailed modeling study of the formation of polycyclic aromatic hydrocarbons in a burner-stabilized low-pressure sooting 23.6 % C2 H2-21.4% 02-Ar flame was reported.
References
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ReportDOI
Kinetic Data on Gas Phase Unimolecular Reactions
TL;DR: In this article, available rate data on thermally induced, unimolecular, homogeneous gas phase reactions of molecules and free radicals have been reviewed and critically evaluated and a discussion is given of theory and assumptions used in compiling the selected data.
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