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

Abstract

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.

Authors:
 [1];  [2];  [2];  [2];  [1]
  1. King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1638442
Report Number(s):
LLNL-JRNL-789214
Journal ID: ISSN 0010-2180; 987538
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 219; Journal Issue: na; Journal ID: ISSN 0010-2180
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Shao, Can, Kukkadapu, Goutham, Wagnon, Scott W., Pitz, William J., and Sarathy, S. Mani. PAH formation from jet stirred reactor pyrolysis of gasoline surrogates. United States: N. p., 2020. Web. doi:10.1016/j.combustflame.2020.06.001.
Shao, Can, Kukkadapu, Goutham, Wagnon, Scott W., Pitz, William J., & Sarathy, S. Mani. PAH formation from jet stirred reactor pyrolysis of gasoline surrogates. United States. https://doi.org/10.1016/j.combustflame.2020.06.001
Shao, Can, Kukkadapu, Goutham, Wagnon, Scott W., Pitz, William J., and Sarathy, S. Mani. 2020. "PAH formation from jet stirred reactor pyrolysis of gasoline surrogates". United States. https://doi.org/10.1016/j.combustflame.2020.06.001. https://www.osti.gov/servlets/purl/1638442.
@article{osti_1638442,
title = {PAH formation from jet stirred reactor pyrolysis of gasoline surrogates},
author = {Shao, Can and Kukkadapu, Goutham and Wagnon, Scott W. and Pitz, William J. and Sarathy, S. Mani},
abstractNote = {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.},
doi = {10.1016/j.combustflame.2020.06.001},
url = {https://www.osti.gov/biblio/1638442}, journal = {Combustion and Flame},
issn = {0010-2180},
number = na,
volume = 219,
place = {United States},
year = {2020},
month = {6}
}

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