高压下绵延的氨/氢弱火焰的存在和化学性质

IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Combustion and Flame Pub Date : 2024-06-08 DOI:10.1016/j.combustflame.2024.113528
Shumeng Xie , Huangwei Zhang
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引用次数: 0

摘要

最近,在一台快速压缩机上实验观察到了 NH3/H2 混合物的两级点火现象,这与火焰分岔和冷焰的概念密切相关。可能会出现一个有趣的问题:NH3/H2 混合物中是否也存在类似的火焰分岔现象?为了回答这个问题,本研究采用了预混逆流构型,并通过一维模拟研究了 NH3/H2/air 火焰的潜在分岔。研究首次观察到 NH3/H2 混合物的新型弱燃烧模式,并将其称为弱火焰。与传统的热火焰不同,弱火焰的火焰温度明显较低(1300-1500 K),热释放率(∼109 J/m3/s)仅为热火焰的 1%。在弱火焰中,H2 全部被氧化成 H2O,而只有部分 NH3 被部分氧化,形成 H2O、N2、N2O 和 NO。进一步的反应路径分析显示,NH3(+OH)→NH2(+NO2)→H2NO(+NH2、+HO2、+O2、+NO2)→HNO(+O2)→NO(+HO2)→NO2→N2O 路径是弱焰中氨的主要氧化路径。此外,还系统地评估了压力、氢含量和等效比的影响,以探索氨/氢弱火焰的运行条件。研究结果表明,弱焰在压力较高时得到促进,并在氢气添加量适中(即 xH2 = 0.02-0.4)的条件下存在。研究进一步提出了一种制度图,以总结氢摩尔分数和当量比的综合影响。最后,测试了化学机制的影响,对于能够预测弱火焰的模型来说,弱火焰中的主要氨氧化途径仍然存在。
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Existence and chemistry of stretched ammonia/hydrogen weak flames at elevated pressures

Recently, a two-stage ignition phenomenon of NH3/H2 mixtures was experimentally observed in a rapid compression machine, which is closely linked to the concept of flame bifurcations and cool flames. One interesting question may arise: do similar flame bifurcations exist in NH3/H2 mixtures? To answer this, this study employs the premixed counterflow configuration and examines the potential bifurcations of the NH3/H2/air flame with one-dimensional simulations. For the first time, a novel weak combustion mode of NH3/H2 mixtures is observed and termed as the weak flame in the following. Unlike the conventional hot flame, the weak flame exhibits significantly lower flame temperatures (1300–1500 K) and a mere 1 % of the heat release rate (∼109 J/m3/s) associated with hot flames. Within the weak flame, H2 is entirely oxidized to H2O, whereas only a portion of NH3 is partially oxidized, resulting in the formation of H2O, N2, N2O, and NO. Further reaction path analyses reveal that the NH3 (+OH) → NH2 (+NO2) → H2NO (+NH2, +HO2, +O2, +NO2) → HNO (+O2) → NO (+HO2) → NO2 → N2O pathway is the primary oxidation route of ammonia in the weak flame. Furthermore, the effects of pressure, hydrogen content, and equivalence ratio are systematically assessed to explore the operation conditions of the ammonia/hydrogen weak flame. The study reveals that the weak flame is promoted at elevated pressures, and exists with a moderate hydrogen addition, i.e., xH2 = 0.02–0.4. A regime diagram is further proposed to summarize the combined influences of hydrogen molar fraction and equivalence ratio. In the end, the impacts of chemical mechanisms are tested and the dominant ammonia oxidization path in the weak flame persists for models capable of predicting weak flames.

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来源期刊
Combustion and Flame
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.
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