화학공학소재연구정보센터
Combustion and Flame, Vol.121, No.4, 651-661, 2000
Experimental and kinetic modeling of the reduction of NO by propene at 1 Atm
A kinetic study of the reduction of nitric oxide (NO) by propene has been undertaken in a jet-stirred reactor (made of fused silica) at 1 atm and 1100 to 1450 K to simulate conditions of a reburning zone. The initial mole fraction of NO was 750-1000 ppm; that of propene was 2930 ppm. The equivalence ratio was varied from 0.75 to 2. It was demonstrated that the reduction of NO is favored when the temperature is increased and that for a given temperature, maximum reduction of NO occurs slightly on the rich side of stoichiometric conditions. The results generally follow those from previous studies of the reduction of NO by C-1 to C-2 hydrocarbons or natural gas as reburn fuel. Detailed chemical kinetic modeling of the present experiments used an updated and improved kinetic scheme (871 reversible reactions and 112 species). Overall reasonable agreement between the present measurements and the modeling was obtained. Also, the proposed kinetic mechanism can be successfully used to model the reduction of NO by ethylene, ethane, acetylene, a natural gas blend (methane-ethane 10:1), and HCN. The main route whereby NO is reduced by propene involves the ketenyl radical. The model indicates that the reduction of NO proceeds through the reaction sequences: C3H6 --> C2H4 --> C2H3 --> C2H2 --> HCCO; C2H3 --> ketene --> HCCO; HCCO + NO --> HCNO + 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) 2000 by The Combustion Institute.