TY - JOUR
T1 - Experimental and modeling investigation on premixed ethylbenzene flames at low pressure
AU - Li, Yuyang
AU - Cai, Jianghuai
AU - Zhang, Lidong
AU - Yang, Jiuzhong
AU - Wang, Zhandong
AU - Qi, Fei
N1 - Funding Information:
This research was supported by Chinese Academy of Sciences, Natural Science Foundation of China ( 50925623 ), and Ministry of Science and Technology of China ( 2007CB815204 and 2007DFA61310 ). Authors are grateful to Tao Yuan and Kuiwen Zhang for their help.
PY - 2011
Y1 - 2011
N2 - Three premixed ethylbenzene/O2/Ar flames with equivalence ratio () of 0.75, 1.00, 1.79 were studied at low pressure (4.0 kPa) to represent the lean, stoichiometric, and rich ethylbenzene flames. Flame species were identified using synchrotron vacuum ultraviolet photoionization mass spectrometry, and their mole fractions were evaluated. The maximum mole fractions of hydrocarbon intermediates were observed to increase with increasing. A kinetic model including 176 species and 804 reactions was developed with detailed submechanisms of ethylbenzene and toluene. The validation of the model was made by simulating the measured mole fractions of flame species, showing good agreement in reproducing the mole fractions of most observed species. Furthermore, rate of production analysis reveals the main formation and consumption channels of some key hydrocarbon intermediates involved in ethylbenzene decomposition and PAHs formation. The main reaction channels of these species in the rich flame have salient differences with those in the lean flame, indicating the different chemistry between the pyrolysis dominated and oxidation dominated circumstance, while the chemistry in the stoichiometric flame is more similar to that in the lean flame. Furthermore, reactions involving phenyl and benzyl are concluded to be critical for PAHs formation in the rich ethylbenzene flame.
AB - Three premixed ethylbenzene/O2/Ar flames with equivalence ratio () of 0.75, 1.00, 1.79 were studied at low pressure (4.0 kPa) to represent the lean, stoichiometric, and rich ethylbenzene flames. Flame species were identified using synchrotron vacuum ultraviolet photoionization mass spectrometry, and their mole fractions were evaluated. The maximum mole fractions of hydrocarbon intermediates were observed to increase with increasing. A kinetic model including 176 species and 804 reactions was developed with detailed submechanisms of ethylbenzene and toluene. The validation of the model was made by simulating the measured mole fractions of flame species, showing good agreement in reproducing the mole fractions of most observed species. Furthermore, rate of production analysis reveals the main formation and consumption channels of some key hydrocarbon intermediates involved in ethylbenzene decomposition and PAHs formation. The main reaction channels of these species in the rich flame have salient differences with those in the lean flame, indicating the different chemistry between the pyrolysis dominated and oxidation dominated circumstance, while the chemistry in the stoichiometric flame is more similar to that in the lean flame. Furthermore, reactions involving phenyl and benzyl are concluded to be critical for PAHs formation in the rich ethylbenzene flame.
KW - Ethylbenzene decomposition
KW - Kinetic model
KW - PAHs formation
KW - Premixed ethylbenzene flame
KW - Synchrotron photoionization
UR - http://www.scopus.com/inward/record.url?scp=78650870235&partnerID=8YFLogxK
U2 - 10.1016/j.proci.2010.06.159
DO - 10.1016/j.proci.2010.06.159
M3 - Article
AN - SCOPUS:78650870235
SN - 1540-7489
VL - 33
SP - 617
EP - 624
JO - Proceedings of the Combustion Institute
JF - Proceedings of the Combustion Institute
IS - 1
ER -