A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

doi:10.1016/j.cjche.2021.05.010

Chinese Journal of Chemical Engineering ›› 2021, Vol. 35 ›› Issue (7): 107-123.DOI: 10.1016/j.cjche.2021.05.010

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A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

Tingting Jiao^1,3, Huiling Fan¹, Shoujun Liu^2,3, Song Yang^2,3, Wenguang Du^1,3, Pengzheng Shi⁴, Chao Yang¹, Yeshuang Wang¹, Ju Shangguan^1,3

1. State Key Laboratory of Clean and Efficient Coal Utilization, Taiyuan University of Technology, Taiyuan 030024, China;
2. College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, China;
3. Shanxi Engineering Central of Civil Clean Fuel, Taiyuan University of Technology, Taiyuan 030000, China;
4. Taiyuan Green Coke Energy Co., Ltd., Taiyuan 030006, China

Received:2020-11-09 Revised:2021-05-13 Online:2021-09-30 Published:2021-07-28
Contact: Ju Shangguan
Supported by:
This study was supported by National Natural Science Foundation of China (21878210), Shanxi "1331" Civil Clean Fuel Engineering Research Center, Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi (2019L0313), Patent Promotion and implementation in Shanxi Province (20200719) and sponsored by Taiyuan Green Coke Energy Co., Ltd. (China).

A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

Tingting Jiao^1,3, Huiling Fan¹, Shoujun Liu^2,3, Song Yang^2,3, Wenguang Du^1,3, Pengzheng Shi⁴, Chao Yang¹, Yeshuang Wang¹, Ju Shangguan^1,3

1. State Key Laboratory of Clean and Efficient Coal Utilization, Taiyuan University of Technology, Taiyuan 030024, China;
2. College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, China;
3. Shanxi Engineering Central of Civil Clean Fuel, Taiyuan University of Technology, Taiyuan 030000, China;
4. Taiyuan Green Coke Energy Co., Ltd., Taiyuan 030006, China

通讯作者: Ju Shangguan
基金资助:
This study was supported by National Natural Science Foundation of China (21878210), Shanxi "1331" Civil Clean Fuel Engineering Research Center, Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi (2019L0313), Patent Promotion and implementation in Shanxi Province (20200719) and sponsored by Taiyuan Green Coke Energy Co., Ltd. (China).

Abstract

Abstract: The emission of NO_x during coal combustion contributes to the formation of acid rain and photochemical smog, which would seriously affect the quality of atmospheric environment. Therefore, the decrease of NO_x is of great importance for improving the efficient utilization of coal. The present review comprehensively summarized the influence factors and mechanisms of migration and transformation of nitrogen during the coal pyrolysis and combustion based on experimental study and quantum chemical calculation. Firstly, in the process of pyrolysis:the occurrence state and transformation of nitrogen were concluded. The influence of temperature, atmosphere, heating rate and catalyst on formation of NO_x precursor and nitrogen migration path at the molecular level were summarized; Secondly, during the process of combustion:the influence of temperature, ambient oxygen concentration, physical structure of coal char, catalyst on heterogeneous oxidation of char (N) were summarized; The effects of char surface properties, catalyst and ambient atmosphere on heterogeneous reduction of NO_x were also concluded. Based on the quantum chemical calculation, the reaction path of heterogeneous oxidation of char-N and heterogeneous reduction of NO_x were described in detail. Current studies focus more on the generation of HCN and NH₃, but in order to reduce the pollution of NO_x from the source, it is necessary to further improve the process conditions and the optimal formula of producing more N₂ during pyrolysis, as well as clarify the path of the generation of N₂. Experiments study and quantum chemistry calculation should be combined to complete the research of directional nitrogen reduction during pyrolysis and denitration during combustion.

Key words: Coal combustion, Pyrolysis, Environment, Nitrogen oxides, Quantum chemical calculation

摘要： The emission of NO_x during coal combustion contributes to the formation of acid rain and photochemical smog, which would seriously affect the quality of atmospheric environment. Therefore, the decrease of NO_x is of great importance for improving the efficient utilization of coal. The present review comprehensively summarized the influence factors and mechanisms of migration and transformation of nitrogen during the coal pyrolysis and combustion based on experimental study and quantum chemical calculation. Firstly, in the process of pyrolysis:the occurrence state and transformation of nitrogen were concluded. The influence of temperature, atmosphere, heating rate and catalyst on formation of NO_x precursor and nitrogen migration path at the molecular level were summarized; Secondly, during the process of combustion:the influence of temperature, ambient oxygen concentration, physical structure of coal char, catalyst on heterogeneous oxidation of char (N) were summarized; The effects of char surface properties, catalyst and ambient atmosphere on heterogeneous reduction of NO_x were also concluded. Based on the quantum chemical calculation, the reaction path of heterogeneous oxidation of char-N and heterogeneous reduction of NO_x were described in detail. Current studies focus more on the generation of HCN and NH₃, but in order to reduce the pollution of NO_x from the source, it is necessary to further improve the process conditions and the optimal formula of producing more N₂ during pyrolysis, as well as clarify the path of the generation of N₂. Experiments study and quantum chemistry calculation should be combined to complete the research of directional nitrogen reduction during pyrolysis and denitration during combustion.

关键词: Coal combustion, Pyrolysis, Environment, Nitrogen oxides, Quantum chemical calculation

Tingting Jiao, Huiling Fan, Shoujun Liu, Song Yang, Wenguang Du, Pengzheng Shi, Chao Yang, Yeshuang Wang, Ju Shangguan. A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study[J]. Chinese Journal of Chemical Engineering, 2021, 35(7): 107-123.

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A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

A review on nitrogen transformation and conversion during coal pyrolysis and combustion based on quantum chemical calculation and experimental study

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