Simulation study on detailed chemical reaction kinetics of pure ammonia combustion

钱琳; 张洋溢; 贾子秀; 杨振宇; 余波

doi:10.19666/j.rlfd.202504061

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Simulation study on detailed chemical reaction kinetics of pure ammonia combustion

Thermal Power Generation Vol. 54, Issue 8, Pages: 113-123(2025)

更新时间：2026-08-11

- Simulation study on detailed chemical reaction kinetics of pure ammonia combustion
- 作者机构：
  
  1. 中国矿业大学低碳能源与动力工程学院
  2. 西安热工研究院有限公司
  3. 深能库尔勒发电有限公司
- 作者简介：
- 基金信息：
- DOI：10.19666/j.rlfd.202504061
  CLC： TQ113.2;TQ038
- Published：2025
- 稿件说明：
移动端阅览
[1]钱琳,张洋溢,贾子秀,等.纯氨燃烧详细化学反应动力学模拟研究[J],2025,54(08):113-123.
[1]钱琳,张洋溢,贾子秀,等.纯氨燃烧详细化学反应动力学模拟研究[J],2025,54(08):113-123. DOI： 10.19666/j.rlfd.202504061.

DOI：10.19666/j.rlfd.202504061.

摘要

“双碳”目标下，氨作为零碳燃料有望成为化石燃料的替代品。针对氨燃烧存在的燃烧速度慢、点火能量高、着火延迟显著等问题，基于Shrestha、Mei、Mei-2021、Stagni、CEU-NH3、Gotama和Glarborg的不同氨燃烧化学反应动力学机理，采用Chemkin模拟研究了初始温度、压力及氧体积分数对氨燃烧特性的影响。结果表明：初始温度增加，氨层流火焰传播速度提高，点火延迟时间降低，有利于氨的着火及燃烧；压力增加层流火焰传播速度降低，但点火延迟时间显著降低，压力增加有利于着火但不利于火焰传播；氧体积分数增大，层流火焰传播速度增大，峰值向稀燃方向移动；并通过敏感性分析揭示了H+O2=O+OH、NH_2+NO=NNH+OH和NH_2+NO=H_2O+N2的分支比对火焰传播的正向促进作用，而NH_2+O=HNO+H会抑制火焰传播；反应H+O2(+M)=HO2(+M)、NH3=H+NH2、HNO=H+NO及NH_2+HO2=NH_3+O2在高压下呈高敏感性；HNO和N_iHi的反应在稀燃燃烧时敏感性系数较高；H_2NO是影响高压低温时点火延迟时间的重要中间组分；通过优化氨燃烧条件调控关键反应路径及反应动力学可改善氨燃烧特性。

Abstract

Under the “dual-carbon” target

ammonia as a zero carbon fuel is expected to become a substitute for fossil fuels. Focusing on the problems of slow combustion speed

high ignition energy

and significant ignition delay in ammonia combustion

the effects of initial temperature

pressure

and oxygen volume fraction on ammonia combustion characteristics are studied via Chemkin simulation

based on the different ammonia combustion chemical reaction kinetics mechanisms of Shrestha

Mei

Mei-2021

Stagni

CEU-NH3

Gotama

and Glarborg. The results show that

as the initial temperature increases

the propagation speed of ammonia laminar flame increases

and the ignition delay time decreases

which is beneficial for ammonia ignition and combustion. The increase in pressure reduces the propagation speed of laminar flames

but significantly shortens the ignition delay time. The increase in pressure is beneficial for ignition but not conducive to flame propagation. As the volume fraction of O2 increases

the laminar flame propagation speed increases and the peak shifts towards lean combustion. Sensitivity analysis reveals that the branching ratios of H+O2=O+OH

H_2+NO=NNH+OH

and NH_2+NO=H_2O+N2 have a positive promoting effect on flame propagation

while that of NH_2+O=HNO+H inhibits flame propagation. The reactions H+O2(+M)=HO2(+M)

NH3=H+NH2

HNO=H+NO

and NH_2+HO2=NH_3+O2 exhibit high sensitivity at high pressures. The sensitivity coefficients of the reactions between HNO and N_iHi is relatively high during lean burn combustion. H_2NO is an important intermediate component that affects the ignition delay time at high pressures and low temperatures. By optimizing the conditions of ammonia combustion and regulating key reaction pathways and reaction kinetics

the characteristics of ammonia combustion can be improved.

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Keywords

references

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