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Experimental and kinetic model studies of 2,3-dimethylhexane pyrolysis at atmospheric pressure 常压下 2,3-二甲基己烷热解的实验和动力学模型研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-17 DOI: 10.1016/j.combustflame.2024.113781
Jinzeng Pan , Jinyu Tan , Shiling Wei , Shuyao Chen , Haikun Lang , Fangping Bin , Zhandong Wang , Lixia Wei
Isomers of alkanes have a significant effect on their combustion performance. In order to better understand the effect of the number of methyl side chains on fuel performance, the pyrolysis experiments of 2,3-dimethylhexane (C8H18–23) were carried out by using a jet-stirred reactor and the synchrotron vacuum ultraviolet photoionization mass spectrometry at 770 - 1130 K and at atmospheric pressure. Key pyrolysis products, such as acetylene, ethylene, propene, 1,3-butadiene, 2-butene, 1-pentene, 2-methyl-2-butene, 2-methyl-2-hexene, 3-methyl-2-hexene, as well as benzene, styrene and naphthalene, etc., were identified and measured. A detailed kinetic model of C8H18–23 pyrolysis, including 1756 species and 6023 reactions, was constructed and validated against the experimental results in the present work. Rate of production and sensitivity analysis of C8H18–23 showed that the major consumption pathways are H-abstractions and unimolecular dissociation reactions, with the highest contributions from those at/between C(2) and C(3) atoms. Theoretical comparison of the pyrolysis of the three isomers of C8H18 hydrocarbon, i.e., C8H18–23, 2-methylheptane and n-octane, shows that with increasing of the number of methyl side chains, C8H18 will be more reactive in pyrolysis and be more effective in producing soot precursors.
烷烃的异构体对其燃烧性能有很大影响。为了更好地了解甲基侧链数量对燃料性能的影响,在 770 - 1130 K 和大气压力下,利用喷射搅拌反应器和同步辐射真空紫外光离子化质谱仪对 2,3 二甲基己烷(C8H18-23)进行了热解实验。对乙炔、乙烯、丙烯、1,3-丁二烯、2-丁烯、1-戊烯、2-甲基-2-丁烯、2-甲基-2-己烯、3-甲基-2-己烯以及苯、苯乙烯和萘等主要热解产物进行了鉴定和测定。本研究建立了 C8H18-23 热解的详细动力学模型,包括 1756 个物种和 6023 个反应,并根据实验结果进行了验证。C8H18-23 的生成率和灵敏度分析表明,主要的消耗途径是 H-萃取和单分子解离反应,其中 C(2)原子和 C(3)原子之间的反应贡献最大。对 C8H18 的三种异构体(即 C8H18-23、2-甲基庚烷和正辛烷)的热解进行的理论比较表明,随着甲基侧链数量的增加,C8H18 在热解中的反应性更强,产生烟尘前体的效果更好。
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引用次数: 0
Unraveling combustion chemistry of dimethyldiethoxysilane. II. A comprehensive study on the laminar flame propagation of ethoxysilane flame synthesis precursors 揭开二甲基二乙氧基硅烷燃烧化学的神秘面纱。II.乙氧基硅烷火焰合成前体层流火焰传播的综合研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-17 DOI: 10.1016/j.combustflame.2024.113795
Qilong Fang , Jun Fang , Yi Zhang , Tianyou Lian , Wei Li , Lili Ye , Yuyang Li
The ethoxysilane family is a popular precursor family for SiO2 nanoparticle flame synthesis, understanding their combustion characteristics and reaction mechanisms are essential to control the synthesis performance. However, there is a scarcity of fundamental combustion studies on ethoxysilane precursors, particularly regarding fuel decomposition and oxidation under flame circumstances. This work, as the second part of a serial work on the combustion of dimethyldiethoxysilane (DMDEOS) which is a representative ethoxysilane precursor, reports an experimental, theoretical, and kinetic modeling investigation on its laminar flames. Laminar burning velocities of the DMDEOS/air mixtures are obtained using the spherically propagating flame method at the initial pressure of 1 atm and initial temperature of 423 K, and equivalence ratios from 0.7 to 1.5. The H-abstraction reactions of DMDEOS by H, CH3, and OH, followed by the subsequent isomerization and β-scission reactions of fuel radicals, are theoretically investigated using ab initio quantum chemical calculations and rate constant calculations. A kinetic model of DMDEOS combustion incorporated with the present theoretical results is developed and validated against the new data. The rate of production analysis and sensitivity analysis indicate that the CH3SiOOH plays an important role in the laminar flame propagation of DMDEOS/air mixtures, and the relevant reactions exhibit significant sensitivity for the laminar flame propagation of DMDEOS. Additionally, the consumption of CH3SiOOH is the main source of key species that are essential for molecular growth. The modified fictitious diluent gas method is adopted to provide insights into the fuel molecular structure effects from the comparison with diethoxymethane (DEM), which has the same molecular skeleton length as DMDEOS. The thermal effect plays a dominantly positive role in the slower laminar flame propagation of DMDEOS than DEM under stoichiometric and rich conditions, while the chemical effect exhibits a negative effect.
乙氧基硅烷家族是二氧化硅纳米粒子火焰合成的常用前驱体家族,了解其燃烧特性和反应机理对于控制合成性能至关重要。然而,有关乙氧基硅烷前驱体的基础燃烧研究,尤其是有关火焰环境下燃料分解和氧化的研究还很缺乏。本研究作为乙氧基硅烷前驱体二甲基二乙氧基硅烷(DMDEOS)燃烧系列研究的第二部分,报告了对其层流火焰的实验、理论和动力学模型研究。在初始压力为 1 atm、初始温度为 423 K、当量比为 0.7 至 1.5 的条件下,采用球形传播火焰法获得了 DMDEOS/空气混合物的层燃速度。利用 ab initio 量子化学计算和速率常数计算,从理论上研究了 H、CH3 和 OH 对 DMDEOS 的吸附反应,以及随后燃料自由基的异构化和 β 裂解反应。结合目前的理论结果,建立了 DMDEOS 燃烧动力学模型,并根据新数据进行了验证。生成率分析和灵敏度分析表明,CH3SiOOH 在 DMDEOS/空气混合物的层流火焰传播中起着重要作用,相关反应对 DMDEOS 的层流火焰传播具有显著的灵敏度。此外,CH3SiOOH 的消耗是分子生长所必需的关键物种的主要来源。通过与分子骨架长度与 DMDEOS 相同的二乙氧基甲烷 (DEM) 进行比较,采用改进的虚构稀释气体法深入了解了燃料分子结构效应。在化学计量和富裕条件下,热效应对 DMDEOS 的层流火焰传播速度比 DEM 慢起着主要的积极作用,而化学效应则表现出负面影响。
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引用次数: 0
Laser-induced plasma analysis of ammonia-oxygen and ammonia-oxygen-enriched-air flames at elevated pressures 高压下氨氧和氨氧富集空气火焰的激光诱导等离子体分析
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-17 DOI: 10.1016/j.combustflame.2024.113803
Bilge Kaan Gokcecik, Nagaraju Guthikonda, Aleksander Clark, Peng Zhao, Zhili Zhang
This study employed Laser-induced breakdown spectroscopy (LIBS) to measure the fuel-oxidizer ratio (FOR) of ammonia combustion with oxygen-enriched air and pure oxygen flames at elevated pressures (100 - 300 kPa). The correlations between the spectral line intensity ratios of nitrogen (N), hydrogen (H), oxygen (O), and equivalence ratio were used to quantify the FOR of flames at various pressures. The effect of pressure on the stability and precision of the calibration profiles for the elemental intensity ratios in flames was investigated. It was observed that the H/O correlation decreases with pressure increase for both ammonia flames. N/O correlations decrease with elevated pressure for the ammonia-oxygen flame. Furthermore, the nitrogen (NII) spectral emission lines at 568 nm and 595 nm were used to estimate the plasma temperature, while the hydrogen (Hα) line at 656 nm was used for electron number density measurements.
本研究采用激光诱导击穿光谱(LIBS)测量了氨与富氧空气和纯氧火焰在高压(100 - 300 kPa)下燃烧的燃料氧化剂比(FOR)。利用氮(N)、氢(H)、氧(O)光谱线强度比和等效比之间的相关性来量化不同压力下火焰的 FOR。研究了压力对火焰中元素强度比校准曲线的稳定性和精确性的影响。观察发现,对于两种氨火焰,H/O 相关性随着压力的增加而降低。在氨氧火焰中,N/O 相关性随压力升高而降低。此外,波长为 568 纳米和 595 纳米的氮(NII)光谱发射线被用于估算等离子体温度,而波长为 656 纳米的氢(Hα)光谱发射线则被用于测量电子数密度。
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引用次数: 0
Parameter estimation of distributed activation energy models via chemical reaction neural network 通过化学反应神经网络对分布式活化能模型进行参数估计
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113798
Chunjie Zhai , Xinmeng Wang , Siyu Zhang , Zhaolou Cao
Kinetic parameter estimation is of fundamental importance in modeling the biomass pyrolysis process for biofuel production. In this work, a neural network architecture, named chemical reaction neural network (CRNN), was utilized to learn kinetic parameters (pre-exponential factor and distribution) in distributed activation energy models from the measurement of conversion rate without prior knowledge of the reaction. The Arrhenius equation is reformulated as the activation function of a neuron in the hidden layer of a three-layer neural network. The gradients of loss with respect to kinetic parameters can then be derived analytically, with which a gradient-based training algorithm is employed to optimize the kinetic parameters. The CRNN performance was evaluated based upon systematical numerical investigation of reactions with a double-Gaussian distribution function. The results show that by transforming the optimization problem into neural network training, the CRNN can accurately and efficiently recover the distribution and pre-exponential factor due to the embedded chemical knowledge. The applicability of CRNN in the pyrolysis of rice straw under different heating rates is examined by experimental measurements. It is shown that with the estimation provided the Kissinger method as the starting point, the CRNN is capable of reconstructing the conversion rate curve. We anticipate, as a feasible, efficient, and accurate model, the CRNN will benefit in enhancing the practice of biomass pyrolysis analysis.
动力学参数估计对于建立生物质热解过程模型以生产生物燃料至关重要。在这项工作中,利用一种名为化学反应神经网络(CRNN)的神经网络架构,在不事先了解反应的情况下,通过测量转化率来学习分布式活化能模型中的动力学参数(前指数因子和分布)。阿伦尼乌斯方程被重新表述为三层神经网络隐藏层中神经元的激活函数。与动力学参数有关的损失梯度可以通过分析得出,并采用基于梯度的训练算法来优化动力学参数。在对具有双高斯分布函数的反应进行系统数值研究的基础上,对 CRNN 的性能进行了评估。结果表明,通过将优化问题转化为神经网络训练,CRNN 可以利用嵌入的化学知识准确有效地恢复分布和前指数因子。实验测量检验了 CRNN 在不同加热速率下热解稻草中的适用性。结果表明,以基辛格方法提供的估计值为起点,CRNN 能够重建转化率曲线。我们预计,作为一个可行、高效和准确的模型,CRNN 将有助于提高生物质热解分析的实践水平。
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引用次数: 0
Experimental and modeling study of the oxidation of NH3/C2H4 mixtures in a shock tube 冲击管中 NH3/C2H4 混合物氧化的实验和模型研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113777
Shubao Song, Wanting Jia, Jiachen Sun, Cheng Wang, Jiankun Shao
<div><div>Ammonia is a promising zero-carbon fuel, offering new possibilities for sustainable energy system development. In this study, ignition delay times (IDTs) of NH<sub>3</sub>/C<sub>2</sub>H<sub>4</sub> mixtures with C<sub>2</sub>H<sub>4</sub> contents of 0 %, 5 %, 10 %, and 25 % were measured using a shock tube at temperatures ranging from 1176 to 1904 K, pressures of 1.0–8.5 atm, and equivalence ratios of 0.5, 1.0 and 2.0. A laser absorption diagnostic system was developed to track the temporal evolution of NH<sub>3</sub> concentration during the oxidation process behind the reflected shock waves. The experimental results indicate that the IDTs of the mixtures exhibit non-linear decrease with the addition of ethylene. Specifically, compared to pure ammonia, the addition of 5 %, 10 % and 25 % ethylene significantly increases the reactivity of the mixture, leading to a 36.7 %, 75.9 % and 90.2 % reduction in IDT at a temperature of 1563 K and a pressure of 1.0 atm, respectively. Moreover, the mixture exhibits similar reactivity under fuel-lean and stoichiometric conditions, which remains higher than the reactivity observed under fuel-rich conditions. Overall, the IDTs and the time required for complete consumption of the mixture decreases as temperature, pressure, and ethylene blending ratio increase. In order to simulate and analyze the reaction process of NH<sub>3</sub>/C<sub>2</sub>H<sub>4</sub> mixtures, a detailed kinetic model was constructed based on previous studies by updating the interaction reaction between C<sub>2</sub>H<sub>4</sub> and NH<sub>2</sub> radical and validated against the current experimental results. Rate of production (ROP) and sensitivity analysis were performed to identify the primary consumption pathways of NH<sub>3</sub>/C<sub>2</sub>H<sub>4</sub> and the significant impact of C<sub>2</sub>H<sub>4</sub> on the reactivity. Additionally, due to the addition of C<sub>2</sub>H<sub>4</sub>, a substantial amount of NH<sub>2</sub> radical participates in the H-abstraction reaction (C<sub>2</sub>H<sub>4</sub> + NH<sub>2</sub><=>C<sub>2</sub>H<sub>3</sub> + NH<sub>3</sub>). This results in a reduced involvement of NH<sub>2</sub> in the DeNO<sub>x</sub> process and, consequently, the NH<sub>3</sub>/C<sub>2</sub>H<sub>4</sub> mixture exhibits a higher tendency to produce NO<sub>x</sub> compared to pure ammonia.</div></div><div><h3>Novelty and significance statement</h3><div>Ammonia offers new possibilities for sustainable energy systems but faces challenges like low combustion rate and mixing with reactive fuels can effectively enhance the ignition characteristics of NH<sub>3</sub>. The ignition delay times and speciation NH<sub>3</sub>/C<sub>2</sub>H<sub>4</sub> mixtures are systemically measured by using shock tube and laser absorption spectroscopy. A newly detailed kinetic NH<sub>3</sub>-C<sub>2</sub>H<sub>4</sub> model is also developed based on previous studies by updating the interaction reaction between C<sub
氨是一种前景广阔的零碳燃料,为可持续能源系统的发展提供了新的可能性。在这项研究中,使用冲击管测量了 C2H4 含量为 0%、5%、10% 和 25% 的 NH3/C2H4 混合物的点火延迟时间 (IDT),温度范围为 1176 至 1904 K,压力为 1.0 至 8.5 atm,当量比为 0.5、1.0 和 2.0。开发了一个激光吸收诊断系统,用于跟踪反射冲击波后氧化过程中 NH3 浓度的时间演变。实验结果表明,随着乙烯的加入,混合物的 IDT 呈现非线性下降。具体而言,与纯氨相比,添加 5%、10% 和 25% 的乙烯会显著提高混合物的反应活性,在温度为 1563 K 和压力为 1.0 atm 时,IDT 分别降低 36.7%、75.9% 和 90.2%。此外,该混合物在燃料贫乏和化学计量条件下表现出相似的反应活性,仍然高于在燃料丰富条件下观察到的反应活性。总体而言,随着温度、压力和乙烯掺混率的增加,混合物完全消耗所需的 IDT 和时间都在减少。为了模拟和分析 NH3/C2H4 混合物的反应过程,在以往研究的基础上,通过更新 C2H4 和 NH2 自由基之间的相互作用反应,构建了一个详细的动力学模型,并与当前的实验结果进行了验证。通过生产率(ROP)和敏感性分析,确定了 NH3/C2H4 的主要消耗途径以及 C2H4 对反应性的重要影响。此外,由于 C2H4 的加入,大量 NH2 自由基参与了 H-萃取反应(C2H4 + NH2<=>C2H3 + NH3)。这就减少了 NH2 在脱硝过程中的参与,因此,与纯氨相比,NH3/C2H4 混合物更倾向于产生氮氧化物。我们利用冲击管和激光吸收光谱系统地测量了 NH3/C2H4 混合物的点火延迟时间和特性。在以往研究的基础上,通过更新 C2H4 和 NH2 自由基之间的相互作用反应,建立了一个新的详细的 NH3-C2H4 动力学模型,并与当前的实验结果进行了验证。生成率和敏感性分析表明,相互作用反应(C2H4 + NH2<=>C2H3 + NH3)对二元混合物的点火性能有显著影响。此外,由于 C2H4 的加入,二元混合物的脱硝过程受到抑制,导致产生氮氧化物的倾向性更高。据我们所知,这是第一项系统测量 NH3/C2H4 混合物点火延迟时间和标示数据的实验研究。
{"title":"Experimental and modeling study of the oxidation of NH3/C2H4 mixtures in a shock tube","authors":"Shubao Song,&nbsp;Wanting Jia,&nbsp;Jiachen Sun,&nbsp;Cheng Wang,&nbsp;Jiankun Shao","doi":"10.1016/j.combustflame.2024.113777","DOIUrl":"10.1016/j.combustflame.2024.113777","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Ammonia is a promising zero-carbon fuel, offering new possibilities for sustainable energy system development. In this study, ignition delay times (IDTs) of NH&lt;sub&gt;3&lt;/sub&gt;/C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; mixtures with C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; contents of 0 %, 5 %, 10 %, and 25 % were measured using a shock tube at temperatures ranging from 1176 to 1904 K, pressures of 1.0–8.5 atm, and equivalence ratios of 0.5, 1.0 and 2.0. A laser absorption diagnostic system was developed to track the temporal evolution of NH&lt;sub&gt;3&lt;/sub&gt; concentration during the oxidation process behind the reflected shock waves. The experimental results indicate that the IDTs of the mixtures exhibit non-linear decrease with the addition of ethylene. Specifically, compared to pure ammonia, the addition of 5 %, 10 % and 25 % ethylene significantly increases the reactivity of the mixture, leading to a 36.7 %, 75.9 % and 90.2 % reduction in IDT at a temperature of 1563 K and a pressure of 1.0 atm, respectively. Moreover, the mixture exhibits similar reactivity under fuel-lean and stoichiometric conditions, which remains higher than the reactivity observed under fuel-rich conditions. Overall, the IDTs and the time required for complete consumption of the mixture decreases as temperature, pressure, and ethylene blending ratio increase. In order to simulate and analyze the reaction process of NH&lt;sub&gt;3&lt;/sub&gt;/C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; mixtures, a detailed kinetic model was constructed based on previous studies by updating the interaction reaction between C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; and NH&lt;sub&gt;2&lt;/sub&gt; radical and validated against the current experimental results. Rate of production (ROP) and sensitivity analysis were performed to identify the primary consumption pathways of NH&lt;sub&gt;3&lt;/sub&gt;/C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; and the significant impact of C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; on the reactivity. Additionally, due to the addition of C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;, a substantial amount of NH&lt;sub&gt;2&lt;/sub&gt; radical participates in the H-abstraction reaction (C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; + NH&lt;sub&gt;2&lt;/sub&gt;&lt;=&gt;C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;3&lt;/sub&gt; + NH&lt;sub&gt;3&lt;/sub&gt;). This results in a reduced involvement of NH&lt;sub&gt;2&lt;/sub&gt; in the DeNO&lt;sub&gt;x&lt;/sub&gt; process and, consequently, the NH&lt;sub&gt;3&lt;/sub&gt;/C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; mixture exhibits a higher tendency to produce NO&lt;sub&gt;x&lt;/sub&gt; compared to pure ammonia.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Novelty and significance statement&lt;/h3&gt;&lt;div&gt;Ammonia offers new possibilities for sustainable energy systems but faces challenges like low combustion rate and mixing with reactive fuels can effectively enhance the ignition characteristics of NH&lt;sub&gt;3&lt;/sub&gt;. The ignition delay times and speciation NH&lt;sub&gt;3&lt;/sub&gt;/C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; mixtures are systemically measured by using shock tube and laser absorption spectroscopy. A newly detailed kinetic NH&lt;sub&gt;3&lt;/sub&gt;-C&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt; model is also developed based on previous studies by updating the interaction reaction between C&lt;sub","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"270 ","pages":""},"PeriodicalIF":5.8,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Resident mechanism of a holder-stabilized ultra-lean hydrogen enriched residual flame 支架稳定超稀薄富氢残焰的驻留机制
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113797
Wenquan Yang, Jianlong Wan
The lean premixed combustion near the flammability limit is a promising technology to achieve cleaner and higher efficiency combustion of gaseous fuels. The residual flame usually occurs in the vicinity of the flammability limit. The deep insight into this flame behavior is crucial to further improve the lean premixed combustion performance. In the present study, the ultra-lean 40%H2–60%CH4-air premixed residual flame stabilized on the heat-conducting holder in a preheated micro burner is observed experimentally and numerically, and its resident mechanism is analyzed quantitatively in terms of the effects of the stretch, preferential transport, and conjugate heat transfer. The stretch and heat-loss effects do harm to the anchoring performance of the residual flame root. By contrast, the preferential transport effect contributes to maintaining it via generating the local fuel-richer region. This is why the flame root can still maintain although it suffers a higher stretch rate compared to the corresponding extinction strain rate of a planar flame. The small stretch and heat-loss effects as well as the noticeable preferential transport effect contribute to maintaining the residual flame tip. More critically, the preferential transport effect increases and heat-loss effect decreases when the equivalence ratio reduces, which ensures that the residual flame tip still can maintain at the ultra-low equivalence ratio. To the best of our knowledge, such a detailed main factors visualization of the stable residual flame has not been reported yet. The present study helps us to further understand the ultra-lean residual flame dynamics.
在易燃极限附近进行贫油预混合燃烧是一种很有前途的技术,可实现更清洁、更高效的气体燃料燃烧。残余火焰通常出现在易燃极限附近。深入了解这种火焰行为对于进一步提高贫油预混燃烧性能至关重要。本研究通过实验和数值方法观察了预热微型燃烧器中稳定在导热支架上的 40%H2-60%CH4-air 预混合超稀薄残余火焰,并从拉伸、优先传输和共轭传热等效应方面对其驻留机制进行了定量分析。拉伸和热损失效应对残留火焰根部的锚定性能造成了损害。相比之下,优先传输效应则通过产生局部燃料富集区来维持残留焰根。这就是为什么与平面火焰的相应熄灭应变率相比,残留焰根的拉伸率更高,但仍能保持的原因。较小的拉伸和热损失效应以及明显的优先传输效应有助于维持残余焰尖。更关键的是,当等效比降低时,优先传输效应增加,热损失效应减少,这确保了残余焰尖在超低等效比时仍能保持。据我们所知,关于稳定残焰的如此详细的主要因素可视化尚未见报道。本研究有助于我们进一步了解超低残余火焰动力学。
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引用次数: 0
Experimental and kinetic modeling study of cyclopentanone pyrolysis in a jet-stirred reactor 喷射搅拌式反应器中环戊酮热解的实验和动力学模型研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113796
Hong Wang , Bingzhi Liu , Qiang Xu , Shijun Dong , Zhandong Wang , Long Zhu
Cyclopentanone (CPN) is a widely available biofuel with excellent combustion properties, but detailed speciation profiles during its pyrolysis have rarely been studied. This work examines the pyrolysis of CPN in a jet-stirred reactor (JSR) at atmospheric pressure, with residence time of 2 s and a temperature range from 830 K to 1100 K. Dozens of pyrolysis intermediates and products were measured using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography (GC). Among them, several new species were observed, including water, carbon dioxide, formaldehyde, indene, 1,2-dihydroindene, naphthalene, 1,2-dihydronaphthalene, 1-methylnaphthalene, acenaphthylene, biphenyl, and fluorene. A detailed kinetic model was developed based on the literature, and in general, it predicted the experimental results for most species well. Kinetic analyses indicated that the consumption of CPN was controlled by the bimolecular reactions with H atom. The formation of water, carbon dioxide and formaldehyde could be explained by the reaction pathways of OH radical. The pyrolysis of CPN yielded a significant number of alkenes and alkynes at higher temperatures; the bimolecular addition reactions of these species with resonantly stabilized radicals are important to the formation of polycyclic aromatic hydrocarbons (PAHs). Based on those, this work provides valuable insights into CPN pyrolysis chemistry and it promotes the development of a comprehensive CPN combustion model.
环戊酮(CPN)是一种广泛使用的生物燃料,具有优异的燃烧特性,但很少有人研究过其热解过程中的详细规格剖面。本研究采用同步辐射真空紫外光离子化质谱法(SVUV-PIMS)和气相色谱法(GC)对 CPN 在常压、停留时间为 2 秒、温度范围为 830 K 至 1100 K 的喷射搅拌反应器(JSR)中的热解过程进行了研究。其中观察到了一些新的物种,包括水、二氧化碳、甲醛、茚、1,2-二氢茚、萘、1,2-二氢萘、1-甲基萘、苊烯、联苯和芴。根据文献建立了一个详细的动力学模型,该模型总体上很好地预测了大多数物种的实验结果。动力学分析表明,氯化萘的消耗受控于与 H 原子的双分子反应。水、二氧化碳和甲醛的生成可以用 OH 自由基的反应途径来解释。在较高温度下,CPN 的热解产生了大量的烯烃和炔烃;这些物质与共振稳定自由基的双分子加成反应对多环芳烃的形成非常重要。在此基础上,这项工作为氯化萘热解化学提供了宝贵的见解,并促进了氯化萘燃烧综合模型的发展。
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引用次数: 0
Investigation on the dynamics of shock wave generated by detonation reflection 爆炸反射产生的冲击波动力学研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113791
Zezhong Yang, Bo Zhang
When a detonation wave hits a rigid wall, a reverse shock is created. This occurrence is common in closed pipe detonation experiments. To better comprehend the propagation dynamics of the reverse shock, experiments were performed in a 2.5-meter-long detonation tube. Normal reflection, Mach reflection, and regular reflection of detonation are generated by changing the end-wall profile. Three different mixtures, 2H2+O2+40%Ar (with very regular cellular pattern), C2H4+3O2+40%Ar (regular), and CH4+2O2 (irregular), are used to examine how detonation stability affects the subsequent reflected shock propagation procedure. The reflection process is visualized by using a high-speed schlieren imaging technique. A one-dimensional simulation with a detailed chemical reaction mechanism was employed to further illustrate the dynamics of the reflected shock, which is generated by detonation normal reflection. Results show that the variation of the reflected shock speed in normal reflection can be categorized into three phases. First, the reflected shock speed rapidly decreases in the detonation reaction zone. It then slowly increases due to the transmitted expansion wave. Finally, the shock wave velocity gradually decreases in the stationary flow. A post-shock blast wave appears in the shocked but unburnt mixture. However, its impact on the reflected shock structure is minimal, as it attenuates drastically. The collision of the detonation and the shock-shock interaction at the tip of the reflectors boosts the reflected shock speed, and the acceleration ratio in the two regular mixtures is 33.7 %–48.7 %, while it is approximately 20 % in the irregular mixture. This study offers a fresh perspective on the complex detonation reflection process through the combined analysis of both experimental and numerical results.
当爆轰波撞击刚性墙壁时,会产生反向冲击。这种情况在封闭管道引爆实验中很常见。为了更好地理解反向冲击的传播动力学,我们在 2.5 米长的爆管中进行了实验。通过改变端壁轮廓产生了引爆的法向反射、马赫反射和规则反射。使用三种不同的混合物,即 2H2+O2+40%Ar(具有非常规则的蜂窝模式)、C2H4+3O2+40%Ar(规则)和 CH4+2O2(不规则),来研究引爆稳定性如何影响随后的反射冲击传播过程。利用高速裂隙成像技术对反射过程进行了可视化。此外,还采用了具有详细化学反应机理的一维模拟,以进一步说明由引爆正常反射产生的反射冲击的动态。结果表明,法向反射中反射冲击速度的变化可分为三个阶段。首先,反射冲击速度在起爆反应区迅速降低。然后,由于传播的膨胀波,反射冲击波速度缓慢上升。最后,冲击波速度在静止流中逐渐减小。冲击后的爆炸波出现在已冲击但未燃烧的混合物中。然而,它对反射冲击结构的影响微乎其微,因为它会急剧衰减。爆炸的碰撞和反射器顶端的冲击波相互作用提高了反射冲击速度,两种规则混合物中的加速比为 33.7%-48.7%,而不规则混合物中的加速比约为 20%。本研究通过对实验和数值结果的综合分析,为复杂的爆轰反射过程提供了一个全新的视角。
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引用次数: 0
Fuel mobility dynamics and their influence on applied smouldering systems 燃料流动动力学及其对应用烟熏系统的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-16 DOI: 10.1016/j.combustflame.2024.113789
Seyed Ziaedin Miry , Marco A.B. Zanoni , Tarek L. Rashwan , Laura Kinsman , José L. Torero , Jason I. Gerhard
Many recent environmentally beneficial applications of smouldering treat hazardous organic liquid fuels in inert porous media. In these applications, organic liquid mobilization can affect the treatment process, and the dynamics are poorly understood. Organic liquid mobilization is therefore a key knowledge gap that hinders the optimization of applied smouldering. This is especially the case in large scales where mobilization appears to be more significant. Liquid mobilization inside a porous medium cannot be easily measured directly, therefore numerical modelling is essential to understand the fundamental processes and to clarify the effects and dynamics of the fuel mobilization on the smouldering reaction. Contrasting numerical models with experimental temperature measurements have revealed many aspects of smouldering that cannot be measured. In this study, a previously developed 1D smouldering model was equipped with multiphase flow equations and compared against laboratory column experiments. The combination of model and experiments has served to quantify the dynamics of organic liquid fuel mobility by simulating high (i.e., non-mobile) and low (i.e., mobile) viscous fuels. The findings from this study shed light on the complicated interplay between multiphase flow, heat and mass transfer, and smoulder chemistry common to many applied smouldering systems. Numerical results confirmed that increasing the viscosity results in fuel remaining in the reaction zone and led to an increase in the peak temperature and smouldering front velocities. Lower viscosity fuels mobilized away from the reaction zone, thereby accumulating fuel in the pre-heating zone of the reactor. The fundamental understanding generated from this research will improve the design, implementation, and optimization of smouldering-based technologies for environmentally beneficial applications worldwide.
最近许多有益于环境的烟熏应用都是在惰性多孔介质中处理有害的有机液体燃料。在这些应用中,有机液体移动会影响处理过程,而人们对其动态变化知之甚少。因此,有机液体迁移是一个关键的知识缺口,阻碍了烟化应用的优化。特别是在大规模应用中,这种情况更为明显。多孔介质内部的液体移动不容易直接测量,因此,要了解基本过程并阐明燃料移动对烟化反应的影响和动态,必须进行数值模拟。数字模型与实验温度测量结果的对比揭示了烟熏的许多无法测量的方面。在本研究中,先前开发的一维烟化模型配备了多相流方程,并与实验室柱状实验进行了比较。模型和实验相结合,通过模拟高粘度(即非流动性)和低粘度(即流动性)燃料,量化了有机液体燃料的流动动态。这项研究的结果揭示了多相流、传热和传质以及许多应用烟熏系统常见的烟熏化学之间复杂的相互作用。数值结果证实,增加粘度会使燃料停留在反应区,并导致峰值温度和烟熏前沿速度上升。粘度较低的燃料会远离反应区,从而在反应器的预热区积聚燃料。这项研究产生的基本认识将改进基于烟化技术的设计、实施和优化,使其在全球范围内得到有益于环境的应用。
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引用次数: 0
Effect of AP and AN on the combustion and injection performance of Al-H2O gelled propellant AP 和 AN 对 Al-H2O 胶状推进剂燃烧和喷射性能的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-15 DOI: 10.1016/j.combustflame.2024.113801
Songchen Yue , Zhan Wen , Qiu Wu , Yao Shu , Jian Jiang , Peijin Liu , Wen Ao
Aluminum-water propellants (Al-H2O propellants), representing a novel class of solid propellants, demonstrate the merits of cost efficiency and reduced feature signal characteristics. However, the conventional formulations of Al-H2O propellants are hampered by the generation of substantial condensed residues. In our investigation, we explored the incorporation of oxidizers into the Al-H2O propellant grain, aiming to enhance combustion and injection performance. Employing a multifaceted experimental approach, we conducted thermal gravimetric analysis, laser ignition experiments, and ignition tests within a lab-scale solid rocket motor (SRM) firing to systematically examine the effects of varying content of ammonium perchlorate (AP) and ammonium nitrate (AN) on the combustion and injection performance of Al-H2O propellants. Our findings indicated that integrating AP and AN at a mass fraction of 3 % each notably curtailed ignition delay time by approximately 67 % and 90 %, respectively, and concurrently decreased burning rates by approximately 50 % and 58 %. Significantly, it has been observed that a composition incorporating a 5 % mass fraction of AP enhances the combustion efficiency of the Al-H2O propellant system by approximately 2 %. Conversely, the integration of a 5 % mass fraction of AN into the same propellant matrix results in an augmentation of the injection efficiency by an estimated 47 %. Empirical evidence validating the augmentative impacts of AP and AN on the performance of Al-H2O propellants has been substantiated through a series of motor hot firing experiments. Furthermore, the combustion behavior of Al-H2O propellants has been elucidated through an analysis of the combustion physical mechanism of Al particles. The thermal decomposition of AP yields a substantial volume of oxidizing gases, which effectively accelerates the combustion rate of the Al particles, subsequently leading to an enhancement in the overall combustion efficiency of the propellant. Conversely, the decomposition of AN results in an increased production of nitrogen gas, thereby augmenting the velocity of gas flow and, consequently, elevating the injection efficiency of the propellant. This finding holds promise for guiding the developmental trajectory of Al-H2O propellants and refining the design parameters of propulsion systems.
铝水推进剂(Al-H2O 推进剂)是一类新型固体推进剂,具有成本效益高、特征信号减少等优点。然而,Al-H2O 推进剂的传统配方因会产生大量冷凝残留物而受到影响。在我们的研究中,我们探索了在 Al-H2O 推进剂颗粒中加入氧化剂的方法,旨在提高燃烧和喷射性能。我们采用多方面的实验方法,进行了热重力分析、激光点火实验和实验室规模固体火箭发动机(SRM)点火试验,系统地研究了不同含量的高氯酸铵(AP)和硝酸铵(AN)对 Al-H2O 推进剂燃烧和喷射性能的影响。我们的研究结果表明,加入质量分数各为 3% 的 AP 和 AN 后,点火延迟时间分别显著缩短了约 67% 和 90%,燃烧速率也同时降低了约 50% 和 58%。值得注意的是,加入质量分数为 5% 的 AP 的组合物可使 Al-H2O 推进剂系统的燃烧效率提高约 2%。相反,在相同的推进剂基质中加入质量分数为 5% 的 AN,则可将喷射效率提高约 47%。通过一系列发动机热点火实验,验证了 AP 和 AN 对 Al-H2O 推进剂性能的增强作用。此外,通过分析 Al 粒子的燃烧物理机制,还阐明了 Al-H2O 推进剂的燃烧行为。AP 的热分解产生大量氧化气体,有效加快了 Al 粒子的燃烧速度,从而提高了推进剂的整体燃烧效率。相反,AN 的分解会增加氮气的产生,从而提高气体流动速度,进而提高推进剂的喷射效率。这一发现有望为 Al-H2O 推进剂的发展轨迹提供指导,并完善推进系统的设计参数。
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引用次数: 0
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Combustion and Flame
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