Effect of trace amount of Nitric Oxide (NO) addition on ammonia autoignition in a rapid compression machine

IF 5.8 2区工程技术 Q2 ENERGY & FUELS

Combustion and Flame Pub Date : 2025-04-25 DOI:10.1016/j.combustflame.2025.114182

Gabriel J. Gotama , Yueying Liang , Liang Yu , Yongxiang Zhang , Wei Zhou , Zimu Wang , Yi Yang , Xingcai Lu

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Abstract

Nitric oxide (NO) is an important product and a major intermediate species in ammonia combustion. This paper investigates the impact of NO on ammonia oxidation in a rapid compression machine. Ignition delay times are measured under stoichiometric and lean (φ = 0.5) conditions with 0 to 2000 ppm NO addition at 25 - 40 bar and 1080 - 1200 K. Due to a small fraction of NO converted to nitrogen dioxide (NO₂) during the reactant preparation, the investigation can be considered as simultaneous doping with NO and NO₂ where the NO₂ can be quantified using simulation. The addition of NO (and the converted NO₂) consistently promotes ammonia autoignition where the ignition delay can be reduced by up to a factor of 6. This NO promotion behaviour was consistent across the pressures investigated. A kinetic model was developed using recent updates on elementary reactions, which improves the simulation compared to existing models. Analysis using the developed model indicated that NO addition enhances the HO₂ production via reaction H₂NO + O₂ = HNO + HO₂, and HNO + O₂ = NO + HO₂, which provide an abundant supply of HO₂ for reaction NO + HO₂ = NO₂ + OH and keep high OH production all the way to autoignition. The impact of pure NO is also isolated using simulation. The results indicate that NH₃ is unique in that higher NO invariably leads to shorter ignition delay which does not show the saturation effect as previously reported for hydrocarbon/NO and H₂/NO cases.

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微量一氧化氮（NO）对快速压缩机氨自燃的影响

一氧化氮（NO）是氨燃烧的重要产物和主要中间物质。研究了NO对快速压缩机氨氧化的影响。在25 ~ 40 bar、1080 ~ 1200 K、0 ~ 2000 ppm NO添加条件下，在化学计量学和lean （φ = 0.5）条件下测量了点火延迟时间。由于在反应物制备过程中，有一小部分NO转化为二氧化氮（NO2），因此研究可以认为是NO和NO2同时掺杂，其中NO2可以通过模拟进行量化。添加NO（和转化的NO2）始终促进氨自燃，其中点火延迟可以减少多达6的因素。这种NO促进行为在调查的压力中是一致的。利用最近更新的元素反应理论建立了一个动力学模型，与现有模型相比，该模型的模拟能力得到了提高。利用所建立的模型分析表明，NO的加入促进了H2NO + O2 = HNO + HO2和HNO + O2 = NO + HO2反应中HO2的生成，为NO + HO2 = NO2 + OH反应提供了充足的HO2供给，并保持了高的OH产量直至自燃。纯NO的影响也通过模拟分离出来。结果表明，NH3的独特之处在于，较高的NO总是导致较短的点火延迟，而不像以前报道的碳氢化合物/NO和H2/NO情况那样出现饱和效应。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Combustion and Flame 工程技术-工程：化工

CiteScore

9.50

自引率

20.50%

发文量

631

审稿时长

3.8 months

期刊介绍： The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on: Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including: Conventional, alternative and surrogate fuels; Pollutants; Particulate and aerosol formation and abatement; Heterogeneous processes. Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including: Premixed and non-premixed flames; Ignition and extinction phenomena; Flame propagation; Flame structure; Instabilities and swirl; Flame spread; Multi-phase reactants. Advances in diagnostic and computational methods in combustion, including: Measurement and simulation of scalar and vector properties; Novel techniques; State-of-the art applications. Fundamental investigations of combustion technologies and systems, including: Internal combustion engines; Gas turbines; Small- and large-scale stationary combustion and power generation; Catalytic combustion; Combustion synthesis; Combustion under extreme conditions; New concepts.