Experimental and modeling investigation on premixed ethylbenzene flames at low pressure

Yuyang Li, Jianghuai Cai, Lidong Zhang, Jiuzhong Yang, Zhandong Wang, Fei Qi*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

58 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)617-624
Number of pages8
JournalProceedings of the Combustion Institute
Issue number1
StatePublished - 2011
Externally publishedYes

Bibliographical note

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.


  • Ethylbenzene decomposition
  • Kinetic model
  • PAHs formation
  • Premixed ethylbenzene flame
  • Synchrotron photoionization

ASJC Scopus subject areas

  • General Chemical Engineering
  • Mechanical Engineering
  • Physical and Theoretical Chemistry


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