A consistent chemical mechanism for oxidation of substituted aromatic species
- Department of Mechanical Engineering, Stanford University, Stanford, CA 94305 (United States)
Computational studies of combustion in engines are typically performed by modeling the real fuel as a surrogate mixture of various hydrocarbons. Aromatic species are crucial components in these surrogate mixtures. In this work, a consistent chemical mechanism to predict the high temperature combustion characteristics of toluene, styrene, ethylbenzene, 1,3-dimethylbenzene (m-xylene), and 1-methylnaphthalene is presented. The present work builds on a detailed chemical mechanism for high temperature oxidation of smaller hydrocarbons developed by Blanquart et al. [Combust. Flame 156 (2009) 588-607]. The base mechanism has been validated extensively in the previous work and is now extended to include reactions of various substituted aromatic compounds. The reactions representing oxidation of the aromatic species are taken from the literature or are derived from those of the lower aromatics or the corresponding alkane species. The chemical mechanism is validated against plug flow reactor data, ignition delay times, species profiles measured in shock tube experiments, and laminar burning velocities. The combustion characteristics predicted by the chemical model compare well with those available from experiments for the different aromatic species under consideration. (author)
- OSTI ID:
- 21350367
- Journal Information:
- Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 10 Vol. 157; ISSN CBFMAO; ISSN 0010-2180
- Country of Publication:
- United States
- Language:
- English
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