A comprehensive kinetic study on the speciation from propylene and propyne pyrolysis in a single-pulse shock tube

This work is centered on the speciation from propylene and propyne pyrolysis by means of shock tube experiments detailed kinetic modeling. A wealth intermediates products, covering small acyclic hydrocarbons up to four-ring aromatics, are probed C3 fuels at a nominal pressure 20 bar over 1050–1650 K. With updates in reactions involving species, our on-going polycyclic aromatic hydrocarbon (PAH) formation model can well predict measurements obtained current as relevant literature data. Propyne exhibits unique two-stage decomposition profile, characteristic isomerization allene dominates its consumption moderate temperatures below 1300 Overall, results more diverse hydrocarbons, but much lower contents comparison pyrolysis. In both studied cases, benzene dependent upon propargyl recombination, since induces rapid plentiful production, mole fractions higher naphthalene observed most abundant PAH followed acenaphthalene. Modeling analyses indicate that similar reaction pathways responsible for Indene formed interactions between benzene/phenyl through non-PAH isomers intermediates. The subsequent indenyl radical with methyl essential leading acenaphthalene, respectively. Naphthyl further participates different larger PAHs. methylene-substituted cyclopenta-ring species deemed important precursors their isomers, noted fulvene-to-benzene, benzofulvene-to-naphthalene 9-methylene-fluorene-to-phenanthrene conversions.