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Title: Comparative study on the growth mechanisms of PAHs

Journal Article · · Combustion and Flame
;  [1]
  1. Department of Chemical System Engineering, University of Tokyo, Bunkyo-ku, Hongo, Tokyo 113-8656 (Japan)

The efficiencies of recently proposed, phenyl addition/cyclization (PAC), methyl addition/cyclization (MAC) and a popular hydrogen abstraction/acetylene addition (HACA) mechanisms have been examined experimentally by detecting the gas phase reaction products of pyrolysis of toluene with/without addition of benzene + acetylene by using vacuum ultraviolet (VUV) single photon ionization (SPI) time of flight mass spectrometry (TOFMS). Besides the observation of verities of large polycyclic aromatic hydrocarbons (PAHs), intense mass peaks of indene, phenylacetylene and propyne confirmed a remarkable quenching of the major active species, benzyl, phenyl and methyl radicals by acetylene. In spite of quenching, only benzyl contributed products were diminished while phenyl and methyl contributed products were enhanced. Uniquely observed symmetrical PAHs; corrannulene/coronene; formed by the active involvement of PAC, HACA and/or MAC mechanisms, reflects the interdependencies of these mechanisms. Individually, PAC was found highly efficient for endless growth, HACA for filling triple fusing site and MAC for expanding cyclotetra/pentafused into benzenoid structure, respectively. (author)

OSTI ID:
21401363
Journal Information:
Combustion and Flame, Vol. 158, Issue 2; Other Information: Elsevier Ltd. All rights reserved; ISSN 0010-2180
Country of Publication:
United States
Language:
English