P. Dagaut et al., The reduction of NO by ethylene in a jet-stirred reactor at 1 atm: Experimental and kinetic modelling, COMB FLAME, 119(4), 1999, pp. 494-504
The kinetics of the reduction of nitric oxide (NO) by ethylene have been st
udied in a fused silica jet-stirred reactor at I atm and at temperatures fr
om 900 to 1400 K to simulate conditions in a reburning zone. The initial mo
le fraction of NO was 1000 ppm, that of ethylene was 4400 ppm. The equivale
nce ratio was varied from 0.75 to 2. It was found that the reduction of NO
varies with temperature and that for a given temperature, the maximum reduc
tion of NO occurs slightly fuel-rich of stoichiometric conditions. Thus, op
erating under optimal NO-reburning conditions is possible for particular co
mbinations of equivalence ratio and temperature. The results generally agre
e with previous studies involving simple hydrocarbons or natural gas as reb
urn fuel. Detailed chemical kinetic modeling of the experiments was perform
ed using an updated and improved kinetic scheme (877 reversible reactions a
nd 122 species). Overall, reasonable agreement was obtained between the pre
sent measurements and the modeling although improvements of the model are s
till necessary. Also, the proposed kinetic mechanism can be successfully us
ed to model the reduction of NO by ethane, acetylene, a natural gas blend (
methane-ethane 10:1) and HCN, as well as the low temperature interactions b
etween NO and simple alkanes. According to this study, the main way of redu
cing NO by ethylene involves the ketenyl radical, HCCO. The model indicates
that the reduction of NO proceeds through the reactions:
C2H4 --> C2H3 --> HCCO; HCCO + NO --> NCNO + CO and HCN + CO2; HCNO + H -->
HCN + OH;
HCN + O --> NCO --> HNCO --> NH2; NCO + H --> NH; NHi(i =1,2) + NO --> N-2;
NH + NO --> N2O
followed by N2O + H --> N-2. (C) 1999 by The Combustion Institute.