Combined high-pressure experimental and kinetic modeling study of cyclopentene pyrolysis and its reactions with acetylene

Abstract

A combined experimental and kinetic modeling study is presented to improve the understanding of the formation of polycyclic aromatic hydrocarbons (PAHs) from neat cyclopentene and cyclopentene/acetylene mixtures. High-pressure experiments are conducted for the first time over a temperature range covering 930–1650 K using a single-pulse shock tube coupled to gas chromatography/gas chromatography-mass spectrometry (GC/GC–MS) techniques. Several updates and inclusions, mainly regarding the reactions involving C₅ molecules and radicals, are made in our on-going PAH kinetic model, which shows satisfactory predictive performances for the speciation measurements obtained in the current work and in the literature. On the basis of the experimental observations and modeling analyses, the reaction pathways active during the pyrolysis of cyclopentene are illustrated and the effects of acetylene addition as co-reactant on the PAH chemistry are assessed. In all of the cases investigated, it is noted that the cyclopentadienyl radical largely participate in the formation of mono-aromatic hydrocarbons (benzene and styrene) and PAHs (indene, naphthalene and phenanthrene).