High pressure oxidation of NH3/n-heptane mixtures

Lauge S. Thorsen, Malene S.T. Jensen, Mille S. Pullich, Jakob M. Christensen, Hamid Hashemi, Peter Glarborg, Vladimir A. Alekseev, Elna J.K. Nilsson, Ziyu Wang, Bowen Mei, Ning Liu, Yiguang Ju

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Oxidation of NH3/n-heptane mixtures at pressures up to 100 atm and temperatures of 400–900 K was characterized experimentally in a laminar flow reactor and a jet-stirred reactor. A detailed chemical kinetic model was developed, updating the hydrogen and amine subsets and introducing a subset for the chemical coupling with emphasis on the NH2+n-heptane reaction. The kinetic model provided a good prediction of the ignition delay times measured in a rapid compression machine by Yu et al. (Combust. Flame 217 (2020) 2–11) as well as the high pressure experimental data obtained in the present work. The results show that it is important to include updated rate constants for NH2 + HO2 and NH2 + n-C7H16 to obtain reliable predictions for ignition and oxidation of NH3/n-heptane mixtures at high pressure. The effectiveness of implementing analogy rules for determining the rate constant of the key reaction NH2 + n-C7H16 was confirmed by the observed results.

Original languageEnglish (US)
Article number112785
JournalCombustion and Flame
StatePublished - Aug 2023

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology
  • General Physics and Astronomy


  • Detailed Kinetic Mechanism
  • Flow reactor
  • Ignition delay time
  • N-heptane/NH
  • Perfectly stirred reactor


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