Variable pressure JSR study of low temperature oxidation chemistry of n-heptane by synchrotron photoionization mass spectrometry

Low temperature oxidation chemistry is crucial in the auto-ignition process of internal combustion engines. The development of laboratory based reactors and diagnostic systems promotes understanding of the low temperature oxidation mechanism. This work develops a variable pressure jet-stirred reacto...

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Bibliographic Details
Published in:Combustion and flame 2022-06, Vol.240, p.111946, Article 111946
Main Authors: Chen, Weiye, Xu, Qiang, Lou, Hao, Di, Qimei, Xie, Cheng, Liu, Bingzhi, Yang, Jiuzhong, Gall, Hervé Le, Luc-Sy, Tran, Wang, Xudi, Xia, Zongyu, Herbinet, Olivier, Battin-Leclerc, Frédérique, Wang, Zhandong
Format: Article
Language:English
Subjects:
Automotive engines
Autoxidation
Carbonyls
Chemical and Process Engineering
Chemical Sciences
Chemistry
Diagnostic systems
Engineering Sciences
Equivalence ratio
Fuels
Gas chromatography
Heptanes
Hydrogen peroxide
Internal combustion engines
Kinetic modeling
Low temperature
Mass spectrometry
Molecular beams
or physical chemistry
Oxidation
Peroxides
Photoionization
Scientific imaging
Spectroscopy
Spontaneous combustion
Synchrotron radiation photoionization mass spectrometry
Synchrotrons
Theoretical and
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Summary:Low temperature oxidation chemistry is crucial in the auto-ignition process of internal combustion engines. The development of laboratory based reactors and diagnostic systems promotes understanding of the low temperature oxidation mechanism. This work develops a variable pressure jet-stirred reactor (VP-JSR) platform working from one to ten bar. Compared to previous high pressure studies which routinely use gas chromatography to analyze low temperature oxidation products, the difference in this work is the possibility of probing intermediates by synchrotron vacuum ultraviolet photoionization mass spectrometry via molecular beam sampling. The setup was validated by repeating n-heptane low temperature oxidation experiments at one and ten bar, respectively. Good agreement was observed between the data in this work and the data in the literature. A much more detailed species pool was probed compared to the literature study, including H2O2, carbonyl acids, alkylhydroperoxides, and keto-hydroperoxides. As a first demonstration of the usefulness of this design, the low temperature oxidation of n-heptane with initial fuel mole fraction of 0.005, residence time of 2 s, and equivalence ratio of 1.0 was studied at one, five, and ten bar. The preliminary results, including reactants, final products, and the initial low temperature oxidation intermediates, are discussed. The VP-JSR system developed in this work is valuable for study of the fuel chemistry from one to ten bar, to develop and examine chemical kinetic models, and to guide the development of the reaction system at even higher pressures, such as those in engine function and supercritical conditions.
ISSN:0010-2180
1556-2921
DOI:10.1016/j.combustflame.2021.111946