Experimental and kinetic modeling study of α-methyl-naphthalene pyrolysis: Part II. PAH formation

Hanfeng Jin, Junyu Hao, Jiuzhong Yang, Junjun Guo, Yan Zhang, Chuang Chuang Cao, Aamir Farooq

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13 Scopus citations


α-Methyl-naphthalene plays an important role as a functional material in petrochemical industries and as a precursor of soot particles. The formation chemistry of polycyclic aromatic hydrocarbons (PAHs) from α-methyl-naphthalene, therefore, warrants detailed investigations. In this work, we studied PAH formation from its pyrolysis using experiments and kinetic models. Flow reactor pyrolytic experiments at low and atmospheric pressures (30 and 760 Torr) were performed using synchrotron vacuum ultraviolet photoionization molecular beam mass spectrometry (SVUV-PI-MBMS). A kinetic model was then developed to predict PAH formation from α-methyl-naphthalene. According to the kinetic analysis of the proposed model, naphth-1-yl-methyl, benzo-fulvenallene, and benzo-fulvenallenyl are three critical intermediates in the formation of large PAHs. Other than the traditional H-abstraction acetylene-/vinylacetylene-addition mechanisms, three prototypical PAH formation pathways are identified in α-methyl-naphthalene pyrolysis: 1) addition and cyclization reactions of naphth-1-yl-methyl and naphth-1-yl radicals; 2) recombination of resonance stabilized radicals (indenyl, benzo-fulvenallenyl, phenalenyl, etc.) and the subsequent ring expansion reactions; 3) sequential propargyl addition reactions.
Original languageEnglish (US)
Pages (from-to)111530
JournalCombustion and Flame
StatePublished - Jun 13 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-06-22
Acknowledgements: Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST) and National Natural Science Foundation of China (51706217).


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