An experimental and modeling study on combustion characteristics of dimethyl ether/ nitrous oxide/ chlorine

IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Combustion and Flame Pub Date : 2025-05-01 Epub Date: 2025-03-03 DOI:10.1016/j.combustflame.2025.114071
Ruining He , Xuan Ren , Xin Bai , Yiheng Tong , Wei Lin , Ziwen Zhao , Frederick Nii Ofei Bruce , Fang Wang , Jinhu Liang , Yang Li
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Abstract

PEG and AP are widely used in strategic and tactical missile engines as key components of composite propellants. It remains a challenge to investigate the detailed combustion mechanism of PEG/AP due to the complex structure and complicated chemical reactions. DME, N2O and Cl2 are the main intermediates of PEG and AP pyrolysis, respectively, which play a crucial role in PEG/AP combustion. DME/N2O is also a promising combination propellant because of its high energy content and good combustion and environmental properties. This study systematically investigates the combustion characteristics of DME, N2O and Cl2 mixtures based on experimental measurements. The Ignition Delay Times (IDT) of DME/N2O mixtures at equivalence ratios of 0.5, 1.0, and 2.0 (N2O as the oxidant) were measured using a high-pressure shock tube at pressures of 10.0 and 20.0 bar and in the temperature range of 1250–1600 K. Besides, half of the N2O was replaced by Cl2 to investigate its impact on the ignition characteristics of DME/N2O. The result shows that although the addition of Cl2 reduces the activity of the fuel mixture system, the ignition activation energy required for ignition has not changed. The laminar flame speeds of DME/N2O mixtures were measured by a constant-volume reactor. The equivalence ratios ranged from 0.8 to 1.4, with N2 content controlled at 60 %, pressure at 1.0 bar, and initial temperature at 298/333 K. The experimental results were simulated using the NUIGMech1.3 model and a constructed model adding Cl2 related reactions to NUIGMech1.3 in this study. Sensitive and flux analyses were conducted to determine the crucial reactions for the IDT of DME/N2O and DME/N2O/Cl2. The results indicate that the decomposition of DME generates ĊH3 and ĊH3O, which is the most reactivity promoting reaction at all temperatures, and it doesn't be influenced by Cl2 presence. Meanwhile H-atom abstraction from DME by Ḣ is the most reactivity inhibiting reaction, while it shows promoting effect with the Cl2 addition, and the H-atom abstraction reaction by O2, which did not show significant sensitivity before the addition of Cl2, shows the strongest inhibitory effect at this time. H-atom abstraction reactions and C–O bond dissociation are two major pathways of DME primary consumption. Although the presence of Cl2 did not alter this macroscopic phenomenon, it had a significant impact on the flux of each pathway. Meanwhile, the addition of Cl2 directly changed the reaction after the third stage in the DME reaction pathways, making the reaction involving Cl2 dominant at this time. The results in the current study should be a positive contribution to the development and optimization of detailed gas-phase chemical kinetic mechanisms for PEG/AP multicomponent solid propellant.
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二甲醚/氧化亚氮/氯燃烧特性的实验与模拟研究
聚乙二醇和AP作为复合推进剂的关键部件广泛应用于战略战术导弹发动机。由于PEG/AP结构复杂,化学反应复杂,对其燃烧机理的详细研究仍是一个挑战。DME、N2O和Cl2分别是PEG和AP热解的主要中间体,在PEG/AP燃烧过程中起着至关重要的作用。二甲醚/二氧化二氮具有高能量含量、良好的燃烧性能和环境性能,是一种很有前途的组合推进剂。本研究在实验测量的基础上,系统地研究了二甲醚、N2O和Cl2混合物的燃烧特性。采用高压激波管,在压力为10.0和20.0 bar,温度范围为1250-1600 K的条件下,测量了当量比为0.5、1.0和2.0(氧化亚氮为氧化剂)的二甲醚/氧化亚氮混合物的点火延迟时间(IDT)。此外,将一半的N2O替换为Cl2,研究其对DME/N2O点火特性的影响。结果表明,Cl2的加入虽然降低了混合气系统的活度,但点火所需的点火活化能没有变化。用定容反应器测量了二甲醚/氧化二氮混合物的层流火焰速度。等效比为0.8 ~ 1.4,N2含量为60%,压力为1.0 bar,初始温度为298/333 K。采用NUIGMech1.3模型和本研究在NUIGMech1.3中加入Cl2相关反应的构建模型对实验结果进行模拟。通过灵敏度分析和通量分析确定了DME/N2O和DME/N2O/Cl2 IDT的关键反应。结果表明:二甲醚分解生成ĊH3和ĊH3O,在所有温度下都是最促进反应性的反应,且不受Cl2存在的影响。同时,Ḣ对二甲醚的h原子提取反应抑制作用最大,而Cl2的加入对二甲醚的h原子提取反应有促进作用,O2对二甲醚的h原子提取反应抑制作用最强,而Cl2加入前对二甲醚的h原子提取反应没有明显的敏感性。氢原子抽离反应和C-O键解离反应是二甲醚主要的初耗途径。虽然Cl2的存在并没有改变这一宏观现象,但它对各途径的通量有显著影响。同时,Cl2的加入直接改变了DME反应途径中第三阶段后的反应,使得此时涉及Cl2的反应占主导地位。本研究结果将为PEG/AP多组分固体推进剂气相化学动力学机理的详细开发和优化做出积极贡献。
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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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