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- W2374610003 abstract "The reaction mechanisms between free radicals NO and NHi were studied using quantum chemical density functional theory(DFT) and rate constant for each reaction was calculated combining with classical transition state theory in this paper.The results show that there are six different reaction channels for free radicals NO and NH2,and the products are N2+H2O,N2O+H2 and N2H+OH.The optimum reaction channel is NO+NH2→ON-H-N→O-H-N-N→O-H-NN→N2+H2O from the views of energy change and reaction rate.Similarly,N2+OH,N2O+H and N2H+O will be produced by seven different reaction channels between free radicals NO and NH,and the optimum reaction channel is NO+NH→H-NNO→H-NNO (H-NNO)→N2+OH.So it is easier for free radical NH reacting with NO to generate N2 than NH2.Therefore,an important conclusion was got that the lower NOx emission could be obtained by making NH2 turn to NH in the actual operation." @default.
- W2374610003 created "2016-06-24" @default.
- W2374610003 creator A5069713071 @default.
- W2374610003 date "2012-01-01" @default.
- W2374610003 modified "2023-09-23" @default.
- W2374610003 title "Research on reaction mechanism between NO and NH_i during low NO_x gas reburning" @default.
- W2374610003 hasPublicationYear "2012" @default.
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