Polycyclic aromatic hydrocarbons in pyrolysis of gasoline surrogates ( n -heptane/ iso -octane/toluene)
Type
ArticleAuthors
Shao, CanWang, Haoyi
Atef, Nour
Wang, Zhandong

Chen, Bingjie

Almalki, Maram M.

Zhang, Yan
Cao, Chuangchuang
Yang, Jiuzhong

Sarathy, Mani

KAUST Department
Chemical Engineering ProgramChemical Science Program
Clean Combustion Research Center
Combustion and Pyrolysis Chemistry (CPC) Group
Mechanical Engineering Program
Physical Science and Engineering (PSE) Division
KAUST Grant Number
OSR-2016-CRG5-3022Date
2018-07-18Online Publication Date
2018-07-18Print Publication Date
2019Permanent link to this record
http://hdl.handle.net/10754/630256
Metadata
Show full item recordAbstract
Toluene primary reference fuels (TPRFs), i.e., a ternary mixture of toluene, n-heptane and iso-octane, better match the combustion properties of real gasoline fuels compared to simpler binary n-heptane/iso-octane mixtures. While there has been significant research on combustion of n-heptane/iso-octane mixtures, fundamental data characterizing polycyclic aromatic hydrocarbons (PAHs) formation in TPRFs combustion is lacking, especially under pyrolysis conditions. In this work, the pyrolysis of two TPRF mixtures (TPRF70 and TPRF97.5), representing low octane (research octane number 70) and high octane (research octane number 97.5) gasolines, respectively, was studied in a jet-stirred reactor coupled with gas chromatography (GC) analysis and a flow reactor coupled with synchrotron vacuum ultraviolet photoionization molecular beam mass spectrometry (SVUV-PI-MBMS). The experiments indicate that pyrolysis of TPRF70 produced slightly higher benzene and naphthalene than TPRF97.5. In contrast, TPRF97.5 pyrolysis produced slightly higher phenanthrene and pyrene than TPRF70. The mole fraction profiles of aromatics from benzene to pyrene were used to validate TPRF kinetic models from the literature. Specifically, the KAUST-Aramco PAH Mech 1-GS kinetic model was updated to match and elucidate the experimental observations. The kinetic analysis reveals that propargyl radical is a crucial intermediate forming benzene and naphthalene, while benzyl radical, generated from the dehydrogenation of toluene, plays an important role in formation of larger PAHs.Citation
Shao C, Wang H, Atef N, Wang Z, Chen B, et al. (2018) Polycyclic aromatic hydrocarbons in pyrolysis of gasoline surrogates ( n -heptane/ iso -octane/toluene). Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2018.06.087.Sponsors
This work was supported by King Abdullah University of Science and Technology (KAUST), Office of Sponsored Research (OSR) under Award No. OSR-2016-CRG5-3022, and Saudi Aramco under the FUELCOM program; National Natural Science Foundation of China (51706217).Publisher
Elsevier BVAdditional Links
https://www.sciencedirect.com/science/article/pii/S1540748918302700ae974a485f413a2113503eed53cd6c53
10.1016/j.proci.2018.06.087