Methylamine oxidation in a flow reactor: Mechanism and modeling

Milind V. Kantak, Karla S. De Manrique, Ravindra H. Aglave, Robert P. Hesketh

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

The high-temperature oxidation chemistry of methylamine (CH3NH2) has been investigated by elucidating the major reaction paths under flow reactor conditions. A comprehensive detailed chemical-kinetic mechanism is proposed, which is comprised of 350 elementary reactions and 65 reactive species. A set of pyrolysis and oxidation reactions of CH3NH2, combined with the literature H-C-O-N reaction chemistry, constitute the proposed mechanism. In addition, the reactions of H-abstraction from both the C- and N-atom centers of CH3NH2, have been incorporated into the mechanism. Good agreement between model predictions and experimental data is obtained over fuel-to- oxygen equivalence ratios ranging from 0.1 to 1.7, for 600-1400 K temperature range, and for subatmospheric (0.01 atm) as well as for atmospheric flow conditions. A reaction path analysis was conducted using the integral averaged reaction rates, and the major reaction pathways were identified. A first order sensitivity analysis for species CH3NH2, NO, and HCN was performed and the results are compared with the reaction-path analysis.

Original languageEnglish (US)
Pages (from-to)235-265
Number of pages31
JournalCombustion and Flame
Volume108
Issue number3
DOIs
StatePublished - Feb 1997

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Physics and Astronomy(all)

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