Modeling of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in Premixed Methane and Ethane Flames
作者： N. M. Marinov , W. J. Pitz , C. K. Westbrook , M. J. Castaldi , S. M. Senkan
DOI: 10.1080/00102209608935550
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摘要: Detailed chemical kinetic modeling has been performed to investigate aromatic and polyaromatic hydrocarbon formation pathways in rich, sooting, methane ethane premixed flames. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.5 was used acquire experimental data for model validation. Gas composition analysis conducted by on-line gas chromatograph / mass spectrometer technique. Measurements were made the post-flame zone a number low molecular weight species, aliphatics, aromatics, polycyclic hydrocarbons (PAHs) ranging from two five-aromatic fused rings. The results show key reaction sequences leading primarily involve combination resonantly stabilized radicals. In particular, propargyl I-methylallenyl reactions lead benzene methyl substituted formation, while aromatics are formed cyclopentadienyl f...
sci-hub.se 参考文章(128)
Y. Feng, J. T. Niiranen, A. Bencsura, V. D. Knyazev, D. Gutman, W. Tsang, Weak collision effects in the reaction C2H5 ⇌ C2H4 + H The Journal of Physical Chemistry. ,vol. 97, pp. 871- 880 ,(1993) , 10.1021/J100106A012
S. K. Farhat, C. L. Morter, Graham P. Glass, Temperature dependence of the rate of reaction of ethynyl radical with hydrogen The Journal of Physical Chemistry. ,vol. 97, pp. 12789- 12792 ,(1993) , 10.1021/J100151A026
U. Brand, H. Hippler, L. Lindemann, J. Troe, Carbon-carbon and carbon-hydrogen bond splits of laser-excited aromatic molecules. 1. Specific and thermally averaged rate constants The Journal of Physical Chemistry. ,vol. 94, pp. 6305- 6316 ,(1990) , 10.1021/J100379A030
Raimo S. Timonen, Emil. Ratajczak, David. Gutman, Albert F. Wagner, The addition and dissociation reaction atomic hydrogen + carbon monoxide .dblharw. oxomethyl. 2. Experimental studies and comparison with theory The Journal of Physical Chemistry. ,vol. 91, pp. 5325- 5332 ,(1987) , 10.1021/J100304A037
Brian J. Opansky, Paul W. Seakins, Jens Olaf P. Pedersen, Stephen R. Leone, Kinetics of the reaction ethynyl radical + oxygen from 193 to 350 K using laser flash kinetic infrared absorption spectroscopy The Journal of Physical Chemistry. ,vol. 97, pp. 8583- 8589 ,(1993) , 10.1021/J100135A009
Ramon A. Alvarez, C. Bradley Moore, Absolute yields of carbon monoxide, carbon dioxide, and formaldehyde from the reaction methylene(~X3B1) + oxygen by IR diode laser flash kinetic spectroscopy The Journal of Physical Chemistry. ,vol. 98, pp. 174- 183 ,(1994) , 10.1021/J100052A029
T. K. Choudhury, Y. He, W. A. Sanders, M. C. Lin, Carbon monoxide formation in the thermal decomposition of methyl nitrite at high temperatures: kinetic modeling of the methoxy decomposition rate The Journal of Physical Chemistry. ,vol. 94, pp. 2394- 2398 ,(1990) , 10.1021/J100369A038
R. Spielmann, C. A. Cramers, Cyclopentadienic compounds as intermediates in the thermal degradation of phenols. Kinetics of the thermal decomposition of cyclopentadiene Chromatographia. ,vol. 5, pp. 295- 300 ,(1972) , 10.1007/BF02310746
Mitchell D. Smooke, Merideth B. Colket, Robert J. Hall, Mechanistic Models of Soot Formation ,(1994)
Craig Bryce Vaughn, Formation of soot and polycyclic aromatic hydrocarbons in a jet-stirred reactor Massachusetts Institute of Technology. ,(1988)