PAH formation from jet stirred reactor pyrolysis of gasoline surrogates

Shao, Can; Kukkadapu, Goutham; Wagnon, Scott W.; Pitz, William J.; Sarathy, S. Mani

doi:10.1016/j.combustflame.2020.06.001

Title: PAH formation from jet stirred reactor pyrolysis of gasoline surrogates

Journal Article · Sat Jun 20 00:00:00 EDT 2020 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2020.06.001· OSTI ID:1638442

Shao, Can ^[1]; Kukkadapu, Goutham ^[2]; Wagnon, Scott W. ^[2]; Pitz, William J. ^[2]; Sarathy, S. Mani ^[1]

King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Soot particles and their precursor polycyclic aromatic hydrocarbon (PAH) species, formed during combustion, are responsible for particulate emissions in gasoline direct injection (GDI) engines. To better understand the effects of fuel composition on formation of soot in GDI engines, the pyrolysis of several gasoline surrogates was studied in a jet-stirred reactor across a broad temperature range at atmospheric pressure and 1 s residence time. Fuel and intermediate species, including aromatics up to naphthalene, were measured using gas chromatography (GC). PAH concentrations from pyrolysis of surrogate fuels were compared to gain insight into the effects of fuel composition on PAH formation. In addition, synergistic effects were observed in pyrolysis experiments of binary blends. A detailed kinetic model, recently developed at Lawrence Livermore National Laboratory (LLNL), successfully captured the effects of blending and the concentration of major PAHs. Major reaction pathways are discussed, as well as the role of important intermediate species, such as acetylene, and resonantly stabilized radicals such as allyl, propargyl, cyclopentadienyl, and benzyl in the formation of PAH.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1638442

Report Number(s):: LLNL-JRNL-789214; 987538

Journal Information:: Combustion and Flame, Vol. 219, Issue na; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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