n-Heptane cool flame chemistry: Unraveling intermediate species measured in a stirred reactor and motored engine

Zhandong Wang*, Bingjie Chen, Kai Moshammer, Denisia M. Popolan-Vaida, Salim Sioud, Vijai Shankar Bhavani Shankar, David Vuilleumier, Tao Tao, Lena Ruwe, Eike Bräuer, Nils Hansen, Philippe Dagaut, Katharina Kohse-Höinghaus, Misjudeen A. Raji, S. Mani Sarathy

*Corresponding author for this work

Research output: Contribution to conferencePaperpeer-review


This work identifies classes of cool flame intermediates from nheptane low-temperature oxidation (e.g., < 750 K) in a jet-stirred reactor (JSR) and a cooperative fuel research (CFR) engine. The sampled species from the JSR were analyzed using a synchrotron vacuum ultraviolet radiation photoionization time-of-flight molecular-beam mass spectrometer and an atmospheric pressure chemical ionization orbitrap mass spectrometer; the latter was also used to analyze the sampled species from the CFR engine. The products can be classified by species with molecular formulas of C7H14Ox (x=0-5), C7H12Ox (x=0-4), C7H10Ox (x=0-4), CnH2n (n=2-6), CnH2n-2 (n=4-6), CnH2n+2O (n=1-4, 6), CnH2nO (n=1-6), CnH2n-2O (n=2-6), CnH2n-4O (n=4-6), CnH2n+2O2 (n=0-4, 7), CnH2nO2 (n=1-6), CnH2n-2O2 (n=2-6), CnH2n-4O2 (n=4-7), and CnH2nO3 (n=3-6). The identified intermediate species include mainly alkene, dienes, aldehyde/keto compounds, olefinic aldehyde/keto compounds, diones, cyclic ethers, peroxides, acids, and alcohols/ethers. Reaction pathways forming intermediates with the same carbon number as n-heptane are proposed and discussed. These experimental results should be helpful in the development of kinetic models for n-heptane and longer-chain alkanes.

Original languageEnglish (US)
StatePublished - 2017
Event11th Asia-Pacific Conference on Combustion, ASPACC 2017 - Sydney, Australia
Duration: Dec 10 2017Dec 14 2017


Conference11th Asia-Pacific Conference on Combustion, ASPACC 2017

Bibliographical note

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© 2018 Combustion Institute. All Rights Reserved.

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Energy Engineering and Power Technology
  • Fuel Technology
  • General Chemical Engineering


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