Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame†
- Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551
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.
- Research Organization:
- Cornell University
- Sponsoring Organization:
- USDOE; USDOE IG Office of Audit Services (IG-30); Germantown Operations Office DOE
- DOE Contract Number:
- FG02-01ER15180
- OSTI ID:
- 1062385
- Report Number(s):
- DOE-ER--15180-22
- Journal Information:
- Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 19 Vol. 111; ISSN 1089-5639
- Country of Publication:
- United States
- Language:
- English
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