Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame

Hansen N, Kasper T, Klippenstein SJ, Westmoreland PR, Law ME, Taatjes CA, Kohse-Höinghaus K, Wang J, Cool TA (2007)
JOURNAL OF PHYSICAL CHEMISTRY A 111(19): 4081-4092.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
A fuel-rich, nonsooting, premixed laminar cyclopentene flame (phi = 2.0) at 37.6 Torr (50 mbar) is investigated by flame-sampling photoionization molecular-beam mass spectrometry utilizing vacuum-ultraviolet synchrotron radiation. Mole fractions as a function of distance from the burner are measured for 49 intermediates with ion masses ranging from 2 (H-2) to 106 (C8H10), providing a broad database for flame modeling studies. The isomeric composition is resolved for most species, and the identification of several C4Hx, C7H6, and C7H8 isomers is discussed in detail. The presence of C5H5CCH/C5H4CCH2 and cycloheptatriene is revealed by comparisons between flame-sampled photoionization efficiency data and theoretical simulations, based on calculated ionization energies and Franck-Condon factors. This insight suggests a new potential molecular- weight growth mechanism that is characterized by C-5-C-7 ring enlargement reactions.
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Zeitschriftentitel
JOURNAL OF PHYSICAL CHEMISTRY A
Band
111
Zeitschriftennummer
19
Seite
4081-4092
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eISSN
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Hansen N, Kasper T, Klippenstein SJ, et al. Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A. 2007;111(19):4081-4092.
Hansen, N., Kasper, T., Klippenstein, S. J., Westmoreland, P. R., Law, M. E., Taatjes, C. A., Kohse-Höinghaus, K., et al. (2007). Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), 4081-4092. doi:10.1021/jp0683317
Hansen, N., Kasper, T., Klippenstein, S. J., Westmoreland, P. R., Law, M. E., Taatjes, C. A., Kohse-Höinghaus, K., Wang, J., and Cool, T. A. (2007). Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A 111, 4081-4092.
Hansen, N., et al., 2007. Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), p 4081-4092.
N. Hansen, et al., “Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame”, JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, 2007, pp. 4081-4092.
Hansen, N., Kasper, T., Klippenstein, S.J., Westmoreland, P.R., Law, M.E., Taatjes, C.A., Kohse-Höinghaus, K., Wang, J., Cool, T.A.: Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame. JOURNAL OF PHYSICAL CHEMISTRY A. 111, 4081-4092 (2007).
Hansen, Nils, Kasper, Tina, Klippenstein, Stephen J., Westmoreland, Phillip R., Law, Matthew E., Taatjes, Craig A., Kohse-Höinghaus, Katharina, Wang, Juan, and Cool, Terrill A. “Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame”. JOURNAL OF PHYSICAL CHEMISTRY A 111.19 (2007): 4081-4092.

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