Reaction mechanism of NO reduction with HCN catalyzed by char

GAO Zheng-yang; YANG Wei-jie; YAN Wei-ping

Volume 45 Issue 9

Sep. 2017

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Article Navigation > Journal of Fuel Chemistry and Technology > 2017 > 45(9): 1043-1048

GAO Zheng-yang, YANG Wei-jie, YAN Wei-ping. Reaction mechanism of NO reduction with HCN catalyzed by char[J]. Journal of Fuel Chemistry and Technology, 2017, 45(9): 1043-1048.

Citation:

GAO Zheng-yang, YANG Wei-jie, YAN Wei-ping. Reaction mechanism of NO reduction with HCN catalyzed by char[J]. Journal of Fuel Chemistry and Technology, 2017, 45(9): 1043-1048.

GAO Zheng-yang, YANG Wei-jie, YAN Wei-ping. Reaction mechanism of NO reduction with HCN catalyzed by char[J]. Journal of Fuel Chemistry and Technology, 2017, 45(9): 1043-1048.

Citation:

GAO Zheng-yang, YANG Wei-jie, YAN Wei-ping. Reaction mechanism of NO reduction with HCN catalyzed by char[J]. Journal of Fuel Chemistry and Technology, 2017, 45(9): 1043-1048.

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Reaction mechanism of NO reduction with HCN catalyzed by char

School of Energy and Power Engineering, North China Electric Power University, Baoding 071003, China

Funds:

undamental Research Funds for the Central Universities 2017XS121

More Information

Corresponding author: YANG Wei-jie, Tel:18331121421, E-mail:yangwj@ncepu.edu.cn
Received Date: 2017-05-12
Rev Recd Date: 2017-06-21

Available Online: 2021-01-23

Publish Date: 2017-09-10

Abstract

Abstract

The reaction mechanism of homogeneous and char-catalyzed heterogeneous NO reduction with HCN were investigated by density functional theory (DFT) of quantum chemistry; the reaction kinetic parameters were determined according to classical transition state theory (TST). The results indicate that the activation energy of homogeneous NO reduction is 306 kJ/mol, much higher than that of heterogeneously catalytic reduction of NO; the later can be as low as 136 kJ/mol. Under the typical reburning temperature (1 400 K), the reaction rate of heterogeneous reduction of NO with HCN is slightly lower than that of heterogeneous reduction catalyzed by char; in comparison with the heterogeneous NO reduction by CO, the heterogeneous NO reduction by HCN over char is more likely to occur. The adsorption sequence of various components has a significant effect on the heterogeneous NO reduction by HCN; the reaction rate coefficient of NO adsorbed on char surface with HCN is 5.28×10¹⁰, which is an order larger than that of the surface adsorbed HCN with NO. Char exhibits a significant catalytic effect on the NO reduction with HCN; char provides surface reaction sites for NO reduction which can effectively activate the reaction gas.
- HCN,
- char,
- NO,
- reduction mechanism,
- adsorption

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References(17)

References

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