Chemical kinetics of hydroxyl reactions with cyclopentadiene and indene
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Accepted manuscript
Embargo End Date:
2022-03-17
Type
ArticleKAUST Department
Chemical Engineering ProgramChemical Kinetics & Laser Sensors Laboratory
Clean Combustion Research Center
Combustion and Pyrolysis Chemistry (CPC) Group
Mechanical Engineering Program
Physical Science and Engineering (PSE) Division
Date
2020-04-17Online Publication Date
2020-04-17Print Publication Date
2020-07Embargo End Date
2022-03-17Submitted Date
2020-01-03Permanent link to this record
http://hdl.handle.net/10754/662630
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Show full item recordAbstract
Oxidation reactions of highly unsaturated cyclic hydrocarbons are very important in combustion, competing with their participation in PAH and soot growth. One of the key oxidation pathways at combustion conditions is the reaction with hydroxyl radicals. Cyclopentadiene (C5H6) and indene (C9H8) are typical PAH precursors, which have highly unsaturated penta-ring structure. In this study, rate coefficients of the reactions of hydroxyl radical with cyclopentadiene and indene were measured behind reflected shock waves over the temperature range of 828–1390 K and pressure near 1 atm. Hydroxyl radicals were monitored by a narrow line-width laser absorption near 306.7 nm. The measured rate coefficients may be expressed as kC5H6+OH=3.68−0.23 +0.27×1013e−(1742.5−77 +75)/T and kC9H8+OH=1.44−0.14 +0.10×1013e−(1497.8−72 +130)/T cm3 mol−1 s−1. Our experimental results showed that the reaction of hydroxyl radicals with cyclopentadiene is about two times faster than that of indene, and the indene + OH reaction exhibited a relatively weaker temperature dependence. Chemical kinetic simulations, carried out with a detailed model, showed the sensitivity of model performance to these reactions and the potential of model improvement with our measured rate coefficients.Citation
Jin, H., Liu, D., Zou, J., Hao, J., Shao, C., Sarathy, M., & Farooq, A. (2020). Chemical kinetics of hydroxyl reactions with cyclopentadiene and indene. Combustion and Flame, 217, 48–56. doi:10.1016/j.combustflame.2020.03.016Sponsors
Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). We are thankful for some discussions with Dr. Xiaoyuan Zhang, Prof. Lili Ye, Prof. Lidong Zhang, and Dr. Binod Giri.Publisher
Elsevier BVJournal
Combustion and FlameAdditional Links
https://linkinghub.elsevier.com/retrieve/pii/S0010218020301176ae974a485f413a2113503eed53cd6c53
10.1016/j.combustflame.2020.03.016