Effect of Pre-pyrolysis Temperature on NO<sub><i>x</i></sub> Formation in Coal-Ammonia Co-combustion: a Molecular Dynamics Study

LIANG Wuzhou; MA Suxia; FENG Yuchuan; LIU Zhongyuan; ZHAO Guanjia

doi:10.19805/j.cnki.jcspe.2025.240405

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Effect of Pre-pyrolysis Temperature on NO_x Formation in Coal-Ammonia Co-combustion: a Molecular Dynamics Study

更新时间：2026-10-10

- Effect of Pre-pyrolysis Temperature on NO_x Formation in Coal-Ammonia Co-combustion: a Molecular Dynamics Study
- Chinese Journal of Power Engineering Vol. 45, Issue 8, Pages: 1330-1336(2025)
- 作者机构：
  
  1. 国网山西省电力公司电力科学研究院,山西,太原,030012
  2. 太原理工大学电气与动力工程学院,山西,太原,030024
- 作者简介：
- 基金信息：
- DOI：10.19805/j.cnki.jcspe.2025.240405
  CLC：
- Online First：12 August 2025，
  
  Published：2025
- 稿件说明：
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梁五洲,马素霞,冯于川,刘众元,赵贯甲. 预热解温度对煤氨混燃NO_x生成的影响:分子动力学研究动力工程学报, 2025, 45(8): 1330-1336 https://doi. DOI: 10.19805/j.cnki.jcspe.2025.240405.

org/10.19805/j.cnki.jcspe.2025.240405
梁五洲,马素霞,冯于川,刘众元,赵贯甲. 预热解温度对煤氨混燃NO_x生成的影响:分子动力学研究动力工程学报, 2025, 45(8): 1330-1336 https://doi. DOI: 10.19805/j.cnki.jcspe.2025.240405. DOI：

org/10.19805/j.cnki.jcspe.2025.240405 DOI：

摘要

为响应国家"双碳"政策

减少燃煤电厂CO

的排放

煤氨混燃得到了广泛关注。通过分子动力学模拟对不同温度下煤氨预热解产物的种类和数量变化

以及预热解燃烧过程中的N元素迁移路径进行研究

得出预热解温度对NO

排放的影响机理。结果表明

升高预热解温度会降低燃烧过程NO

排放。温度升高促进了预热解过程中煤氨之间的相互反应

CN、HCN的产量随着预热解温度的提升而提升

煤氨之间的相互影响促进煤中的H原子转化为H

。预热解温度的升高会促进NH

自热解产生N

减少体系中产生NO

的氮源

含量的降低会减少体系中HNO的生成量

进而降低NO

的排放量。预热解温度的升高会促进H

的产生

的存在

一方面会消耗大量O

减少燃烧过程中NO

的生成量

另一方面会加速HNO向N

转化的过程

减少HNO分解产生的NO量。

Abstract

In response to the national "dual carbon" policy

so as to reduce carbon dioxide emissions from coal-fired power plants

the co-combustion of coal and ammonia has received widespread attention. Based on molecular dynamic simulation

researches were conducted on the changes in the types and quantities of coal-ammonia pre-pyrolysis products at different temperatures

and the migration pathways of nitrogen element during pre-pyrolysis and combustion processes

so as to obtain the influence mec

hanism of pre-pyrolysis temperature on NO

emissions. Results show that

the increase of pre-pyrolysis temperature leads to the decrease of NO

emissions during combustion. Due to the increased temperature can enhance the interactions between coal and ammonia during pre-pyrolysis

the production of CN and HCN increases with the increase of pre-pyrolysis temperature

and the conversion of hydrogen atoms in coal into H

is promoted by the interactions between coal and ammonia. Meanwhile

the increase of pre-pyrolysis temperature can promote the pyrolysis of NH

to produce N

reducing the nitrogen sources available for NO

formation. The reduction in NH

content decreases the generation of HNO

thereby lowering NO

emissions. Additionally

the increase of pre-pyrolysis temperature can promote the production of H

. The presence of H

on the one hand

can consume a large amount of O

reducing the formation of NO

during combustion

on the other hand

can accelerate the conversion of HNO to N

thus reducing the generation of NO from HNO decomposition.

关键词

Keywords

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Effect of Pre-pyrolysis Temperature on NOx Formation in Coal-Ammonia Co-combustion: a Molecular Dynamics Study

DOI：10.19805/j.cnki.jcspe.2025.240405

摘要

Abstract

关键词

Keywords

references

Effect of Pre-pyrolysis Temperature on NO_x Formation in Coal-Ammonia Co-combustion: a Molecular Dynamics Study