Effect of ketone group on heterogeneous reduction of NO by char

CHEN Ping; GU Ming-yan; LIN Yu-yu; YAN Da-wei; HUANG Xiang-yong

Volume 46 Issue 5

May 2018

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Article Navigation > Journal of Fuel Chemistry and Technology > 2018 > 46(5): 521-528

CHEN Ping, GU Ming-yan, LIN Yu-yu, YAN Da-wei, HUANG Xiang-yong. Effect of ketone group on heterogeneous reduction of NO by char[J]. Journal of Fuel Chemistry and Technology, 2018, 46(5): 521-528.

Citation:

CHEN Ping, GU Ming-yan, LIN Yu-yu, YAN Da-wei, HUANG Xiang-yong. Effect of ketone group on heterogeneous reduction of NO by char[J]. Journal of Fuel Chemistry and Technology, 2018, 46(5): 521-528.

CHEN Ping, GU Ming-yan, LIN Yu-yu, YAN Da-wei, HUANG Xiang-yong. Effect of ketone group on heterogeneous reduction of NO by char[J]. Journal of Fuel Chemistry and Technology, 2018, 46(5): 521-528.

Citation:

CHEN Ping, GU Ming-yan, LIN Yu-yu, YAN Da-wei, HUANG Xiang-yong. Effect of ketone group on heterogeneous reduction of NO by char[J]. Journal of Fuel Chemistry and Technology, 2018, 46(5): 521-528.

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Effect of ketone group on heterogeneous reduction of NO by char

1.
School of Energy and Environment, Anhui University of Technology, Maanshan 243002, China
2.
School of Hydraulic Energy and Power Engineering, Yangzhou University, Yangzhou 225000, China

Funds:

the National Natural Science Foundation of China 51376008

the National Natural Science Foundation of China 51776001

National Key Basic R & D Project of China 2017YFB0601805

More Information

Corresponding author: GU Ming-yan, Tel: 13955598327, E-mail: gumy@ahut.edu.cn
Received Date: 2017-12-27
Rev Recd Date: 2018-03-29

Available Online: 2021-01-23

Publish Date: 2018-05-10

Abstract

Abstract

Based on the density functional theory of quantum chemistry and transition state theory, reaction mechanism of heterogeneous reaction of ketone char with NO and oxygen desorption of the products were examined. The results indicate that NO is more easily adsorbed on surface of the ketone char. The ketone group of armchair enhances the char heterogeneous reduction of NO; On account of oxygen concentration in the ketone of zigzag char may not be within the range where is beneficial to reduction of NO, the energy barrier value of heterogeneous reduction of ketone coal char and NO (495.45kJ/mol) is higher than that of the pure carbon-based char and NO (331.32 kJ/mol). Without the presence of CO, the P1 of intermediate products is more prone to oxygen desorption than the pure carbon-based char, and surface defects are produced. With the presence of CO, the ketone char provides surface free active sites for the oxygen desorption process, which reduces energy barrier of the process.
- ketone group,
- NO,
- CO,
- surface defect,
- oxygen desorption

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References(22)

References

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