Abstract
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 language | English |
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Article number | 112785 |
Journal | Combustion and Flame |
Volume | 254 |
Number of pages | 10 |
ISSN | 0010-2180 |
DOIs | |
Publication status | Published - 2023 |
Keywords
- Detailed Kinetic Mechanism
- Flow reactor
- Ignition delay time
- N-heptane/NH3
- Perfectly stirred reactor