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Ignition characteristics of 1-Nitropropane: Experimental measurements and kinetic modeling
Fuel ( IF 6.7 ) Pub Date : 2022-02-10 , DOI: 10.1016/j.fuel.2022.123385
Li He 1 , Chong Li 2 , Yanlei Shang 3 , Hongbo Ning 2 , Jinchun Shi 3 , Sheng-Nian Luo 1, 2
Affiliation  

1-nitropropane (1-NP), a potential advanced propellant and a fuel additive, is considered as a suitable surrogate for understanding the combustion properties of nitro-alkanes. Here, the ignition characteristics of 1-NP/O2/Ar are investigated at the pressures of 4–20 atm, the equivalence ratios of 0.5–2, and the temperatures of 910–1790 K in a heated shock tube. The ignition delay time of 1-NP increases with decreasing pressure and increasing equivalence ratio. The pressure effect is more pronounced at high temperature, while the effect of equivalence ratio is insignificant at the dilution level of 95.75% Ar. The rate constants of the important unimolecular decomposition reactions of 1-NP are calculated at 500–2000 K and 0.0001–100 atm, and a new 1-NP model is proposed based on our calculations and the nitromethane model by Shang et al.. The new model has a good performance in predicting the measured ignition delay times of 1-NP but gives an overestimation under the fuel-rich condition with a dilution level of 95.75% Ar. The kinetic analyses are carried out to elucidate the ignition mechanism of 1-NP and the defects of the model. The results indicate that the C–N bond fission reaction is the dominant pathway consuming 1-NP, and the reactions involving NOx control the ignition process. Ethylene and propylene are the key intermediates, and further work on the reactions between NO and the species related to the degeneration of alkene is necessary to complete the combustion model of 1-NP.



中文翻译:

1-硝基丙烷的点火特性:实验测量和动力学建模

1-硝基丙烷 (1-NP) 是一种潜在的先进推进剂和燃料添加剂,被认为是了解硝基烷烃燃烧特性的合适替代品。这里,1-NP/O 的点火特性2/Ar 在 4–20 atm 的压力、0.5–2 的当量比和 910–1790 K 的温度下在加热的激波管中进行研究。1-NP的着火延迟时间随着压力的降低和当量比的增加而增加。压力效应在高温下更为明显,而当量比的影响在 95.75% Ar 的稀释水平下不显着。在 500–2000 K 和 0.0001–100 atm 下计算了 1-NP 的重要单分子分解反应的速率常数,并在我们的计算和尚等人的硝基甲烷模型的基础上提出了新的 1-NP 模型。新模型在预测测量的 1-NP 点火延迟时间方面具有良好的性能,但在稀释水平为 95.75% Ar 的富燃料条件下给出了高估。进行动力学分析以阐明1-NP的点火机理和模型的缺陷。结果表明,C-N键裂变反应是消耗1-NP的主要途径,涉及的反应X控制点火过程。乙烯和丙烯是关键中间体,进一步研究 NO 与烯烃简并相关物质的反应是完成 1-NP 燃烧模型的必要条件。

更新日期:2022-02-11
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