Simplified Mechanisms of Nitrogen Migration Paths for Ammonia-Coal Co-Combustion Reactions

Yun Hu, Fang Wu (), Guoqing Chen, Wenyu Cheng, Baoju Han, Kexiang Zuo, Xinglong Gao, Jianguo Liu and Jiaxun Liu
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Yun Hu: China Energy Science and Technology Research Institute Co., Ltd., Nanjing 210023, China
Fang Wu: School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
Guoqing Chen: China Energy Science and Technology Research Institute Co., Ltd., Nanjing 210023, China
Wenyu Cheng: China Energy Science and Technology Research Institute Co., Ltd., Nanjing 210023, China
Baoju Han: China Energy Science and Technology Research Institute Co., Ltd., Nanjing 210023, China
Kexiang Zuo: China Energy Changzhou Second Power Generation Co., Ltd., Changzhou 213125, China
Xinglong Gao: China Energy Changzhou Second Power Generation Co., Ltd., Changzhou 213125, China
Jianguo Liu: School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China
Jiaxun Liu: School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

Energies, 2025, vol. 18, issue 19, 1-16

Abstract: Ammonia–coal co-combustion has emerged as a promising strategy for reducing carbon emissions from coal utilization, although its underlying reaction mechanisms remain insufficiently understood. The Chemkin simulation of zero-dimensional homogeneous reaction model and entrained flow reaction model was employed here, and the ROP (rate of production) and sensitivity analysis was performed for analyzing in-depth reaction mechanisms. The nitrogen conversion pathways were revealed, and the mechanisms were simplified. Based on simplified mechanisms, molecular-level reaction pathways and thermochemical conversion networks of nitrogen-containing precursors were established. The results indicate that NO emissions peak at a 30% co-firing ratio, while N 2 O formation increases steadily. The NH radical facilitates NO reduction to N 2 O, with NH + NO → N 2 O + H identified as the dominant pathway. Enhancing NNH formation and suppressing NCO intermediates are key to improving nitrogen conversion to N 2 . This paper quantifies the correlation between NO x precursors such as HCN and NH 3 and intermediates such as NCO and NNH during ammonia–coal co-firing and emphasizes the important role of N 2 O. These insights offer a molecular-level foundation for designing advanced ammonia–coal co-combustion systems aimed at minimizing NO x emissions.

Keywords: fuel–N transformation; co-firing systems; NO x reduction; reaction kinetics; entrained flow reaction (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2025
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