Benzene formation in premixed fuel-rich 1,3-butadiene flames

Hansen N, Miller JA, Kasper T, Kohse-Höinghaus K, Westmoreland PR, Wang J, Cool TA (2009)
PROCEEDINGS OF THE COMBUSTION INSTITUTE 32(1): 623-630.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
Detailed kinetic modeling and flame-sampling molecular-beam time-of-flight mass spectrometry are combined to unravel important pathways leading to the formation of benzene in a premixed laminar low-pressure 1,3-butadiene flame. The chemical kinetic model developed is compared with new experimental results obtained for a rich (phi = 1.8) 1,3-butudiene/O-2/Ar flame at 30 Torr and with flame data for a similar but richer (phi = 2.4) flame reported by Cole et al. [Combust. Flame 56 (1) (1984) 51-70]. The newer experiment utilizes photoionization by tunable vacuum-ultraviolet synchrotron radiation, which allows for the identification and separation of combustion species by their characteristic ionization energies. Predictions of mole fractions as a function of distance from the burner of major combustion intermediates and products are in overall satisfactory agreement with experimentally observed profiles. The accurate predictions of the propargyl radical and benzene mole fractions permit an assessment of potential benzene formation pathways. The results indicate that C6H6 is formed mainly by the C3H3 + C3H3 and i-C4H5 + C2H2 reactions, which are roughly of equal importance. Smaller contributions arise from C3H3 + C3H5. However, given the experimental and modeling uncertainties, other pathways cannot be ruled out. (c) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
Stichworte
1; Benzene; formation; 3-Butadiene; Mass spectrometry; Modeling; Laminar flames
Erscheinungsjahr
2009
Zeitschriftentitel
PROCEEDINGS OF THE COMBUSTION INSTITUTE
Band
32
Ausgabe
1
Seite(n)
623-630
ISSN
1540-7489
Page URI
https://pub.uni-bielefeld.de/record/1634677

Zitieren

Hansen N, Miller JA, Kasper T, et al. Benzene formation in premixed fuel-rich 1,3-butadiene flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE. 2009;32(1):623-630.
Hansen, N., Miller, J. A., Kasper, T., Kohse-Höinghaus, K., Westmoreland, P. R., Wang, J., & Cool, T. A. (2009). Benzene formation in premixed fuel-rich 1,3-butadiene flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE, 32(1), 623-630. doi:10.1016/j.proci.2008.06.050
Hansen, N., Miller, J. A., Kasper, T., Kohse-Höinghaus, K., Westmoreland, P. R., Wang, J., and Cool, T. A. (2009). Benzene formation in premixed fuel-rich 1,3-butadiene flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32, 623-630.
Hansen, N., et al., 2009. Benzene formation in premixed fuel-rich 1,3-butadiene flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE, 32(1), p 623-630.
N. Hansen, et al., “Benzene formation in premixed fuel-rich 1,3-butadiene flames”, PROCEEDINGS OF THE COMBUSTION INSTITUTE, vol. 32, 2009, pp. 623-630.
Hansen, N., Miller, J.A., Kasper, T., Kohse-Höinghaus, K., Westmoreland, P.R., Wang, J., Cool, T.A.: Benzene formation in premixed fuel-rich 1,3-butadiene flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE. 32, 623-630 (2009).
Hansen, Nils, Miller, James A., Kasper, Tina, Kohse-Höinghaus, Katharina, Westmoreland, Phillip R., Wang, Juan, and Cool, Terrill A. “Benzene formation in premixed fuel-rich 1,3-butadiene flames”. PROCEEDINGS OF THE COMBUSTION INSTITUTE 32.1 (2009): 623-630.