An experimental and kinetic modeling study of benzene pyrolysis with C2−C3 unsaturated hydrocarbons

A combined experimental and kinetic modeling study is carried out to explore the influences of added acetylene, ethylene, propylene, propyne on reaction schemes benzene pyrolysis. Pyrolysis with without presence C2- or C3- unsaturated hydrocarbons (HCs) conducted in a single pulse shock tube coupled gas chromatography-mass spectrometry technique. minimum 30 species detected each system, their mole fraction profiles are obtained over temperature range 1030–1800 K at nominal pressure 20 bar time 4 ms. With updates based recent theoretical studies, our ongoing detailed model 552 4958 reactions can successfully reproduce decomposition reactivity fuels, formation products, growth aromatics pyrolysis different fuel mixtures. Various considerations apply all studied binary The addition HCs system leads C2H2 formation, consequently promotes HACA mechanism starting from phenyl radical (C6H5) relatively low temperatures. resulted phenylacetylene, formed through C6H5+C2H2 reaction, addition-elimination C6H5C2H + C6H5 leading enhanced early C14H10 PAH isomers including ethynyl biphenyl, methylene-fluorene, diphenylacetylene, phenanthrene, anthracene. It also noteworthy that existence as its production C2H4, C3H6, C3H4-P results numerous compounds branches such diethynyl naphthalene, acenaphthylene. Considering specific features mixtures, acetylene intensifies route greater acenaphthylene while naphthalene remains similar pure case due limited H-atoms. Differently, benzene-C2H4 co-pyrolysis, mainly between radicals (phenylacetylene naphthyl radical, respectively) ethylene. Concerning benzene-C3 indene major C9 resulting benzene/phenyl C3 fuels. This an important pathway which experimentally probed here for first time. high concentration indenyl methyl propargyl (C3H3) radicals, respectively. Afterwards, participate several larger C11–13 PAHs methylnaphthalene, ethynylnaphthalene fluorene CH3, C3H4-P/C3H3,