Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame.
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{sub 2}) to 106 (C{sub 8}H{sub 10}), providing a broad database for flame modeling studies. The isomeric composition is resolved for most species, and the identification of several C{sub 4}H{sub x}, C{sub 7}H{sub 6}, and C{sub 7}H{sub 8} isomers is discussed in detail. The presence of C{sub 5}H{sub 5}CCH/C{sub 5}H{sub 4}CCH{sub 2} 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{sub 5}-C{sub 7} ring enlargement reactions.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC02-06CH11357
- OSTI ID:
- 947071
- Report Number(s):
- ANL/CHM/JA-58128; JPCAFH; TRN: US0901178
- Journal Information:
- J. Phys. Chem. A, Vol. 111, Issue 19 ; 2007; ISSN 1089-5639
- Country of Publication:
- United States
- Language:
- ENGLISH
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