Scholarlink

<p>Ammonia–coal co-combustion can achieve low carbon emissions, but the introduction of NH<sub>3</sub> increases the risk of NO<sub><i>x</i></sub> formation. This study utilized density functional theory to investigate the mechanism of heterogeneous reduction of NO during ammonia–coal co-combustion, as well as the effect of char-N on NO reduction. The research results indicate that compared to char, char-N is more conducive to the heterogeneous reduction of NO due to its lower N<sub>2</sub> desorption energy barrier and higher heat release. The formation of –OH and the desorption of H<sub>2</sub>O during the reaction process are key factors limiting the NO reduction reaction, and the desorption of H<sub>2</sub>O mainly occurs at high temperatures. The presence of NH<sub>2</sub> significantly enhances the feasibility of N<sub>2</sub> desorption kinetics and makes it a spontaneous process. In addition, in a high-temperature reducing atmosphere, an increase in temperature can promote the heterogeneous reduction reaction of NO. This study reveals the synergistic emission reduction mechanism of ammonia–coal co-combustion, providing theoretical guidance for low-carbon and clean utilization technologies of coal combustion.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Microscopic mechanism of char-NO heterogeneous reduction in ammonia–coal co-combustion process

  • 期刊论文

  • 发表日期：

    2025年10月7日

查看全文
  • Shirong Xu,
  • Jun Shen,
  • Zihao You,
  • Rongjie Yu,
  • Jiaxun Liu

摘要

Ammonia–coal co-combustion can achieve low carbon emissions, but the introduction of NH3 increases the risk of NOx formation. This study utilized density functional theory to investigate the mechanism of heterogeneous reduction of NO during ammonia–coal co-combustion, as well as the effect of char-N on NO reduction. The research results indicate that compared to char, char-N is more conducive to the heterogeneous reduction of NO due to its lower N2 desorption energy barrier and higher heat release. The formation of –OH and the desorption of H2O during the reaction process are key factors limiting the NO reduction reaction, and the desorption of H2O mainly occurs at high temperatures. The presence of NH2 significantly enhances the feasibility of N2 desorption kinetics and makes it a spontaneous process. In addition, in a high-temperature reducing atmosphere, an increase in temperature can promote the heterogeneous reduction reaction of NO. This study reveals the synergistic emission reduction mechanism of ammonia–coal co-combustion, providing theoretical guidance for low-carbon and clean utilization technologies of coal combustion.