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Carrier-phase direct numerical simulation and flamelet modeling of NOx formation in a pulverized coal/ammonia co-firing flame 煤粉/氨气联合燃烧火焰中氮氧化物形成的载流子相直接数值模拟和火焰模型
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-10 DOI: 10.1016/j.combustflame.2024.113722
<div><p>A carrier-phase direct numerical simulation (CP-DNS) of a coal/ammonia co-firing flame in a turbulent mixing layer is performed with a detailed chemical reaction mechanism including NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> formation. The combustion characteristics and NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> formation mechanism of the coal/ammonia co-firing flame are investigated in detail through a conditional reaction pathway analysis. A new four-fuel-stream flamelet model is proposed to adapt to the piloted pulverized coal/ammonia co-combustion system, in which the complex mixing among the volatiles, char off-gases, ammonia, and the pilot stream is characterized with four mixture fractions. The flamelet solutions in the fourfold mixture fraction space are transformed into a uniform space to facilitate the access to the flamelet table. The performance of the flamelet model is evaluated through an <em>a priori</em> analysis, a combustion mode analysis, and a chemical timescale analysis. For the turbulent coal/ammonia co-firing flame studied, two distinct flame fronts within the shear layer are observed with the upper part being dominated by ammonia combustion and the lower part being governed by coal combustion. The conditional analyses show that NO species is mainly generated by the lower layer governed by pulverized coal combustion where the nitrogen-containing species from volatile combustion are highly involved in the NO formation. The NO concentration first increases with decreasing the fraction of ammonia in the local computational cell, and then decreases towards pure pulverized coal combustion, which is characterized with a newly introduced manifold coordinate. While the temperature and the major and intermediate species mass fractions in the coal/ammonia co-firing flame can be reasonably predicted by the proposed flamelet model, the NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> species mass fractions are not well predicted in the region where pulverized coal combustion dominates. It is clarified that the inaccurate prediction of the NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> species is not caused by interpolation errors, multiple combustion modes or the kinetics of NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> formation, but mainly attributed to the definition of the progress variable.</p><p><strong>Novelty and significance statement</strong></p><p>The novelty of this research is the first DNS of a coal/ammonia co-firing flame in a turbulent mixing layer, and the proposal of a new flamelet tabulation method for predicting NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> formation in the coal/ammonia co-firing flame. It is significant because</p><p>• Coal/ammonia co-firing promises to provide continuous, secure power supply at a mu
利用包括氮氧化物形成在内的详细化学反应机制,对湍流混合层中的煤/氨共燃火焰进行了载流子相位直接数值模拟(CP-DNS)。通过条件反应途径分析,详细研究了煤/氨联合燃烧火焰的燃烧特性和氮氧化物形成机理。提出了一种新的四燃料流小火焰模型,以适应先导煤粉/氨气共燃系统,其中挥发物、木炭废气、氨气和先导气流之间的复杂混合以四种混合物分馏为特征。四重混合物馏分空间中的小火焰溶液被转化为统一空间,以方便进入小火焰表。通过先验分析、燃烧模式分析和化学时标分析,对小焰模型的性能进行了评估。对于所研究的湍流煤/氨联合燃烧火焰,在剪切层内观察到两个不同的火焰前沿,上部由氨燃烧主导,下部由煤燃烧主导。条件分析表明,NO 物种主要由煤粉燃烧的下层产生,其中挥发燃烧产生的含氮物种高度参与了 NO 的形成。NO 浓度首先随着局部计算单元中氨气比例的降低而增加,然后向纯煤粉燃烧方向降低,这是以新引入的流形坐标为特征的。虽然所提出的小火焰模型可以合理预测煤/氨共燃火焰中的温度和主要及中间物种质量分数,但在煤粉燃烧占主导地位的区域,氮氧化物物种质量分数的预测并不准确。本研究的新颖之处在于首次对湍流混合层中的煤/氨共烧火焰进行了 DNS 分析,并提出了一种新的小火焰表格法来预测煤/氨共烧火焰中氮氧化物的形成。其重要意义在于--与纯煤燃烧相比,煤/氨联合燃烧有望以更低的碳足迹提供持续、安全的电力供应;--利用载流子相 DNS 分析了煤/氨联合燃烧的基本物理原理;--根据 DNS 数据集评估了新提出的小火焰模型在预测氮氧化物种类方面的性能。
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引用次数: 0
FGM modeling considering preferential diffusion, flame stretch, and non-adiabatic effects for hydrogen-air premixed flame wall flashback 考虑到氢气-空气预混合火焰壁闪回的优先扩散、火焰拉伸和非绝热效应的 FGM 模型
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-10 DOI: 10.1016/j.combustflame.2024.113718

Preferential diffusion plays an important role especially in hydrogen flames. Flame stretch significantly affects the flame structure and induces preferential diffusion. A problematic phenomenon occurring in real combustion devices is flashback, which is influenced by non-adiabatic effects, such as wall heat loss. In this paper, an extended flamelet-generated manifold (FGM) method that explicitly considers the preferential diffusion, flame stretch, and non-adiabatic effects is proposed. In this method, the diffusion terms in the transport equations of scalars, viz. the progress variable, mixture fraction, and enthalpy, are formulated employing non-unity Lewis numbers that are variable in space and different for each chemical species. The applicability of the extended FGM method to hydrogen flames is investigated using two- and three-dimensional numerical simulations of hydrogen-air flame flashback in channel flows. The results of the extended FGM method are compared with those of detailed calculations and other FGM methods. The two-dimensional numerical simulations show that considering both preferential diffusion and flame stretch improves the prediction accuracy of the mixture fraction distribution and flashback speed. The three-dimensional numerical simulations show that the prediction accuracy of the flashback speed, backflow region, and distributions of physical quantities near the flame front is improved by employing the extended FGM method, compared with the FGM method that considers only the heat loss effect. In particular, the extended FGM method successfully reproduced the relationship between the reaction rate and curvature. These results demonstrate the effectiveness of the extended FGM method.

Novelty and Significance Statement The novelty of this research is the development of a flamelet-generated mani-fold (FGM) method that explicitly considers preferential diffusion, flame stretch, and non-adiabatic effects. To the best of the authors’ knowledge, no studies have performed numerical simulations of pure hydrogen flames using such an FGM method. The developed FGM method was applied to numerical simula- tions of hydrogen-air premixed flame flashback at an equivalence ratio of 0.5 and reproduced the flashback speed of lean hydrogen-air premixed flame. The applicability of the FGM method to the numerical simulation of hydrogen-air flashback is reported first. This research is significant because the FGM method is one of the most widely used combustion models for premixed combustion, and the development of an accurate FGM method will contribute to the engineering field. The accurate prediction of the flame flashback attempted in this study is particularly important for the development of hydrogen-fueled combustion devices.

特别是在氢火焰中,优先扩散起着重要作用。火焰拉伸会对火焰结构产生重大影响,并诱发优先扩散。在实际燃烧装置中出现的一个问题现象是回火,它受到非绝热效应(如壁面热损失)的影响。本文提出了一种扩展的火焰生成流形(FGM)方法,该方法明确考虑了优先扩散、火焰拉伸和非绝热效应。在该方法中,标量(即进度变量、混合物分数和焓)传输方程中的扩散项采用了非统一路易斯数,这些路易斯数在空间上是可变的,并且对每种化学物质都是不同的。通过对通道流中氢气-空气火焰回火的二维和三维数值模拟,研究了扩展 FGM 方法对氢气火焰的适用性。将扩展 FGM 方法的结果与详细计算和其他 FGM 方法的结果进行了比较。二维数值模拟结果表明,同时考虑优先扩散和火焰伸展可提高混合物分数分布和回火速度的预测精度。三维数值模拟结果表明,与只考虑热损失效应的 FGM 方法相比,采用扩展 FGM 方法提高了火焰前沿附近的回火速度、回流区域和物理量分布的预测精度。特别是,扩展 FGM 方法成功地再现了反应速率与曲率之间的关系。新颖性和意义声明 本研究的新颖性在于开发了一种明确考虑了优先扩散、火焰伸展和非绝热效应的火焰生成马尼褶(FGM)方法。据作者所知,目前还没有研究使用这种 FGM 方法对纯氢火焰进行数值模拟。所开发的 FGM 方法被应用于等效比为 0.5 的氢气-空气预混合火焰闪回的数值模拟,并再现了贫氢气-空气预混合火焰的闪回速度。首先报告了 FGM 方法在氢气-空气回火数值模拟中的适用性。这项研究意义重大,因为 FGM 方法是预混合燃烧中应用最广泛的燃烧模型之一,开发精确的 FGM 方法将有助于工程领域的研究。本研究尝试对火焰回火进行精确预测,这对氢燃料燃烧装置的开发尤为重要。
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引用次数: 0
Spark knock: A source for particulate matter emissions from gasoline spark ignited engines 火花撞击:汽油火花点火发动机排放颗粒物的一个来源
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-10 DOI: 10.1016/j.combustflame.2024.113712

This study explores the relationship between knocking and particulate matter emissions in both single-cylinder and multi-cylinder direct injection spark ignition (DISI) engines. The concentration of particulate matter emissions rapidly increases after the onset of knock with advancing spark timing. Single-cylinder engine experiments were conducted with variations in intake temperature and coolant temperature. The results showed that knock plays a role in generating particulate matter emissions. Moreover, knock intensity had a greater effect on the increase in particulate emissions compared to the variation of in-cylinder temperature. Experiments conducted on a multi-cylinder turbocharged engine validated the existence of this phenomenon in production engines. The phenomenon is shown to exist across diverse engine conditions and a range of gasoline fuel compositions (anti-knock index rating and oxygenate/aromatic/alkylate content). The knock-soot correlation was seen more prominently at lower engine speeds where the magnitudes of knock intensity were higher. The fuel study showed that while the AKI rating of the fuel directly correlated to the propensity to knock, it also indirectly correlated to the particulate emissions concentration. When running on high AKI-rated fuels, the engine emitted lower concentrations of particulate emissions irrespective of whether the fuel was heavily doped with ethanol or aromatics. At similar AKI ratings, aromatic blended gasoline operation led to higher particulate emissions than ethanol blended gasoline operation. The study concludes by suggesting empirical theories for the existence of the knock-soot correlation.

本研究探讨了单缸和多缸火花直接喷射点火(DISI)发动机的爆震与颗粒物排放之间的关系。爆震发生后,随着火花正时的提前,颗粒物排放浓度迅速增加。在进气温度和冷却液温度变化的情况下进行了单缸发动机实验。结果表明,爆震在产生颗粒物排放方面发挥了作用。此外,与缸内温度变化相比,爆震强度对颗粒物排放增加的影响更大。在一台多缸涡轮增压发动机上进行的实验验证了这一现象在量产发动机中的存在。实验表明,在各种发动机工况和各种汽油成分(抗爆指数等级和含氧量/芳香族/烷基含量)下都存在这种现象。在发动机转速较低、爆震强度较高的情况下,爆震与怠速的相关性更为突出。燃料研究表明,虽然燃料的 AKI 等级与爆震倾向直接相关,但也间接与颗粒排放浓度相关。当使用高 AKI 等级燃料时,无论燃料中掺入大量乙醇还是芳烃,发动机排放的颗粒物浓度都较低。在类似的 AKI 等级下,芳烃混合汽油的运行比乙醇混合汽油的运行导致更高的微粒排放。研究最后提出了存在爆震-怠速相关性的经验理论。
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引用次数: 0
High efficient solid composite propellant combustion by electric control 电控高效固体复合推进剂燃烧
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-09 DOI: 10.1016/j.combustflame.2024.113717

In this study, the influence of a direct-current electric field under high pressures on the burning rate and combustion efficiency of a propellant were investigated, and the results were verified by solid rocket motor (SRM) experiments. The effects of the electric field on combustion of propellant were studied at various ambient pressures (1–7 MPa) and different applied voltages (−5 to 5 kV). It was found that an applied electric field had a catalytic effect on the propellant combustion at different ambient pressures. When applying an electric field at 1 MPa, as the applied voltage increased from 0 to 5 kV, the burning rate and combustion efficiency increased from 3.390 to 3.884 mm/s, combustion efficiency increased from 95.13 % to 97.45 %, respectively. However, a high ambient pressure weakened the burning rate catalytic influence of the applied electric field. Hot firing of the SRM verified that the electric field could increase the thrust and the specific impulse of the motor by 6.1N(25.3 %) and 7.5s(3.3 %), respectively. Additionally, the forward electric field had a greater catalytic effect on the propellant combustion than the reverse electric field. The high-strength applied electric field was found to catalyze particle charge acceleration, the rupture of aluminum droplets, and ion excitation. By utilizing this phenomenon, the combustion, and energetic properties of solid rocket motors (SRMs) can be finely adjusted using an electric field. The results of this research contribute to the advancement of a more effective approach for thrust control in SRMs.

Novelty and significance

This study investigates the effects of an electric field on aluminum droplets and combustion flames in propellants. An experimental setup was designed to regulate the combustion of solid propellants using an electric field, and this setup was tested in a solid rocket motor. A specialized electric field experiment apparatus and an electric field-regulated motor were designed to validate the influence of the electric field on propellant combustion. The results show that the electric field increased the propellant's combustion rate by up to 8.8 % and improved combustion efficiency by up to 1.81 %. An electric field of 1.5 kV increased the motor's thrust by 6.1 N and the specific impulse by 7.5 s. This research elucidates the impact of electric field strength and direction on propellant combustion characteristics and analyzes the underlying mechanisms from the perspective of combustion flames and aluminum particle behavior. The study provides a new approach for energy management in solid rocket motors.

本研究调查了高压直流电场对推进剂燃烧速率和燃烧效率的影响,并通过固体火箭发动机(SRM)实验验证了结果。在不同的环境压力(1-7 兆帕)和不同的外加电压(-5 至 5 千伏)下,研究了电场对推进剂燃烧的影响。研究发现,在不同的环境压力下,外加电场对推进剂的燃烧有催化作用。当施加 1 兆帕的电场时,随着施加电压从 0 千伏增加到 5 千伏,燃烧速率和燃烧效率分别从 3.390 mm/s 增加到 3.884 mm/s,燃烧效率从 95.13 % 增加到 97.45 %。然而,高环境压力削弱了外加电场对燃烧率的催化作用。SRM 的热点火验证了电场可使发动机的推力和比冲分别增加 6.1 牛顿(25.3%)和 7.5 秒(3.3%)。此外,与反向电场相比,正向电场对推进剂燃烧的催化作用更大。研究发现,高强度外加电场可催化粒子电荷加速、铝液滴破裂和离子激发。利用这一现象,可以通过电场对固体火箭发动机(SRM)的燃烧和能量特性进行微调。新颖性和意义本研究调查了电场对推进剂中铝液滴和燃烧火焰的影响。研究人员设计了一套实验装置,利用电场调节固体推进剂的燃烧,并在固体火箭发动机中对这套装置进行了测试。为了验证电场对推进剂燃烧的影响,设计了专门的电场实验装置和电场调节发动机。结果表明,电场使推进剂的燃烧率提高了 8.8%,燃烧效率提高了 1.81%。该研究阐明了电场强度和方向对推进剂燃烧特性的影响,并从燃烧火焰和铝粒子行为的角度分析了其内在机理。该研究为固体火箭发动机的能量管理提供了一种新方法。
{"title":"High efficient solid composite propellant combustion by electric control","authors":"","doi":"10.1016/j.combustflame.2024.113717","DOIUrl":"10.1016/j.combustflame.2024.113717","url":null,"abstract":"<div><p>In this study, the influence of a direct-current electric field under high pressures on the burning rate and combustion efficiency of a propellant were investigated, and the results were verified by solid rocket motor (SRM) experiments. The effects of the electric field on combustion of propellant were studied at various ambient pressures (1–7 MPa) and different applied voltages (−5 to 5 kV). It was found that an applied electric field had a catalytic effect on the propellant combustion at different ambient pressures. When applying an electric field at 1 MPa, as the applied voltage increased from 0 to 5 kV, the burning rate and combustion efficiency increased from 3.390 to 3.884 mm/s, combustion efficiency increased from 95.13 % to 97.45 %, respectively. However, a high ambient pressure weakened the burning rate catalytic influence of the applied electric field. Hot firing of the SRM verified that the electric field could increase the thrust and the specific impulse of the motor by 6.1N(25.3 %) and 7.5s(3.3 %), respectively. Additionally, the forward electric field had a greater catalytic effect on the propellant combustion than the reverse electric field. The high-strength applied electric field was found to catalyze particle charge acceleration, the rupture of aluminum droplets, and ion excitation. By utilizing this phenomenon, the combustion, and energetic properties of solid rocket motors (SRMs) can be finely adjusted using an electric field. The results of this research contribute to the advancement of a more effective approach for thrust control in SRMs.</p></div><div><h3>Novelty and significance</h3><p>This study investigates the effects of an electric field on aluminum droplets and combustion flames in propellants. An experimental setup was designed to regulate the combustion of solid propellants using an electric field, and this setup was tested in a solid rocket motor. A specialized electric field experiment apparatus and an electric field-regulated motor were designed to validate the influence of the electric field on propellant combustion. The results show that the electric field increased the propellant's combustion rate by up to 8.8 % and improved combustion efficiency by up to 1.81 %. An electric field of 1.5 kV increased the motor's thrust by 6.1 N and the specific impulse by 7.5 s. This research elucidates the impact of electric field strength and direction on propellant combustion characteristics and analyzes the underlying mechanisms from the perspective of combustion flames and aluminum particle behavior. The study provides a new approach for energy management in solid rocket motors.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164695","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
Burning and flame extinction patterns of PMMA under external heating and oxygen deficiency 外部加热和缺氧条件下 PMMA 的燃烧和火焰熄灭模式
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-07 DOI: 10.1016/j.combustflame.2024.113664

The paper presents an experimental study investigating the impact of under-oxygenated conditions on the burning characteristics and flame extinction of horizontal transparent poly(methyl-methacrylate) (PMMA) slabs subjected to external heating. Small-sized solids are exposed to various constant levels of radiant heat flux in a nitrogen-diluted environment at ambient pressure. The study aims to understand the multivariable dependence of PMMA combustion on oxygen and heating levels. The analysis goes beyond the study of global and local variables to provide an understanding of the mechanisms involved, revealing a notable effect on burning characteristics and flame extinction mechanisms by blow-off. The results provide a detailed assessment of the surface energy balance and flame bulk properties. The results demonstrate good repeatability up to a certain oxygen limit, beyond which the flame combustion regime exhibits stochastic behaviour. The study of heat transfer mechanisms has revealed that flame radiation and external heating play a predominant role in the heating of horizontal solid fuels, In contrast, within the flame, convection is the main contributor to solid heating, rather than flame radiation. Solid characteristics show linear trends proportional to oxygen depletion, while gas phase characteristics show monotonic trends strongly influenced by the changing combustion regime. The surface temperature of the solid is highly sensitive to the test conditions that affect the energy balance. Dimensionless parameters are developed and data are correlated with existing literature. The analysis demonstrates that the linear or monotonic trends are maintained regardless of external heating. Finally, models are proposed and validated to predict both the extinction limit and the burning rate independently of irradiance and oxygen levels.

本文介绍了一项实验研究,调查了缺氧条件对受到外部加热的水平透明聚甲基丙烯酸甲酯(PMMA)板的燃烧特性和火焰熄灭的影响。在环境压力下的氮稀释环境中,小尺寸固体暴露在各种恒定水平的辐射热流量下。研究旨在了解 PMMA 燃烧对氧气和加热水平的多变量依赖性。分析超越了对全局和局部变量的研究,提供了对相关机制的理解,揭示了吹熄对燃烧特性和火焰熄灭机制的显著影响。结果提供了对表面能量平衡和火焰体积特性的详细评估。结果表明,在一定的氧气极限范围内,火焰燃烧机制具有良好的可重复性。对传热机制的研究表明,火焰辐射和外部加热在水平固体燃料的加热过程中起着主导作用,相反,在火焰内部,对流是固体加热的主要因素,而不是火焰辐射。固体特性呈现出与氧气耗尽成正比的线性趋势,而气相特性则呈现出受燃烧制度变化影响较大的单调趋势。固体表面温度对影响能量平衡的试验条件非常敏感。研究开发了无量纲参数,并将数据与现有文献进行了关联。分析表明,无论外部加热与否,线性或单调趋势都会保持不变。最后,还提出并验证了预测消光极限和燃烧速率(与辐照度和氧气水平无关)的模型。
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引用次数: 0
Publication / Copyright Information 出版/版权信息
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-06 DOI: 10.1016/S0010-2180(24)00383-3
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引用次数: 0
On the CN production through a spark-plug discharge in dry air-CO2 mixture: The role of atomic oxygen 在干燥空气-二氧化碳混合物中通过火花塞放电产生氯化萘:原子氧的作用
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-06 DOI: 10.1016/j.combustflame.2024.113707

This communication aims to explore the cyanide kinetics during spark-plug discharge with a focus on updating its kinetic cycle. A plasmochemical model augmenting oxygen-CO2 interaction was utilized for this purpose, within an axially symmetric domain to solve the fluid and kinetic equations. The simulations reveal an amplification of CN production in the discharge region, showing that the cyanide density reached a peak exceeding the safety limit for humans.

Novelty and significance statement

Numerical simulations of spark plug discharge are essential for predicting their outcomes. Crispim et al. (2021) did not consider crucial processes in dry air-CO2 and other factors affecting CN consumption and CO production, requiring a review of CN kinetics. To address this, we used a new chemical cycle with previously unconsidered processes to investigate cyanide concentration. Our simulations assess the percentage impact of each physical–chemical process on species concentration during electrical discharge, identifying the most influential processes on cyanide consumption and carbon monoxide production. We present the main processes and percentages of CN consumption and CO production in Ar-CO2, which were not previously addressed. Moreover, the new CN(A2Π) concentration values are significantly higher than the previous theoretical results.

本文旨在探索火花塞放电过程中的氰化物动力学,重点是更新其动力学循环。为此,我们在一个轴对称域内使用了一个增强氧气-二氧化碳相互作用的质化学模型来求解流体和动力学方程。模拟结果表明,在放电区域,氯化萘生成量增加,氰化物密度达到峰值,超过了人体安全极限。Crispim 等人(2021 年)没有考虑干空气-CO2 的关键过程以及影响 CN 消耗和 CO 生成的其他因素,因此需要对 CN 动力学进行审查。为了解决这个问题,我们使用了一种新的化学循环,其中包含了之前未考虑的过程,以研究氰化物浓度。我们的模拟评估了放电过程中每个物理化学过程对物种浓度的百分比影响,确定了对氰化物消耗和一氧化碳生成影响最大的过程。我们介绍了 Ar-CO2 中消耗氯化萘和产生一氧化碳的主要过程和百分比,这是以前未曾涉及的。此外,新的 CN(A2Π) 浓度值明显高于之前的理论结果。
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引用次数: 0
Towards predictive simplified chemical kinetics for hydrogen detonations 实现氢引爆的简化化学动力学预测
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-06 DOI: 10.1016/j.combustflame.2024.113710
<div><p>A methodology to develop predictive simplified kinetics schemes (one-step/three-step chain-branching) is presented in which detonation velocity-curvature (<span><math><mrow><mi>D</mi><mo>−</mo><mi>κ</mi></mrow></math></span>) curves computed with detailed thermochemistry are used as the fitting target aiming to capture the turning point of the curve (<span><math><msub><mrow><mi>κ</mi></mrow><mrow><mtext>crit</mtext></mrow></msub></math></span>). This was motivated by the similar trend observed between the <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mtext>crit</mtext></mrow></msub></math></span> values obtained using the simplified schemes of Taileb et al. (2020), fitted using conventional methods, and the critical reactive layer heights for detonation propagation under yielding confinement (<span><math><msub><mrow><mi>h</mi></mrow><mrow><mtext>crit</mtext></mrow></msub></math></span>) reported by the same authors. Both updated schemes satisfactorily reproduce the target <span><math><mrow><mi>D</mi><mo>−</mo><mi>κ</mi></mrow></math></span> curves and are used to (re)compute multidimensional cellular detonations propagating in channels and confined by inert layers. Simulations show a much better agreement with the results obtained with detailed kinetics for the detonation flow fields, cell sizes distributions, and <span><math><msub><mrow><mi>h</mi></mrow><mrow><mtext>crit</mtext></mrow></msub></math></span>. Moreover, it is observed that the average curvatures of the computed fronts are in line with those predicted by the <span><math><mrow><mi>D</mi><mo>−</mo><mi>κ</mi></mrow></math></span> formulation, providing supporting evidence of the applicability of reduced order models for fast and inexpensive estimates of detonation limiting behaviors in safety studies.</p><p><strong>Novelty and Significance Statement</strong></p><p>The novelty of this research lies in proposing and testing an alternative methodology to determine the kinetics parameters of simplified kinetics schemes (<span><math><mrow><mn>1</mn><mo>−</mo></mrow></math></span>step and <span><math><mrow><mn>3</mn><mo>−</mo></mrow></math></span>step) so that these retain the predictive capabilities of detailed kinetics. This is achieved by using detonation velocity-curvature curves (<span><math><mrow><mi>D</mi><mo>−</mo><mi>κ</mi></mrow></math></span>) as a fitting target. Conventional fitting procedures, such as targeting ignition delay times and/or matching ZND profiles have been shown to perform poorly in previous research. The new methodology shows significant improvements in the prediction of dynamic detonation parameters in ideal detonations such as cell sizes distributions, as well as in the prediction of the critical reactive layer heights for detonation propagation under yielding confinement (<span><math><msub><mrow><mi>h</mi></mrow><mrow><mtext>crit</mtext></mrow></msub></math></span>); a canonical configuration of interest to propulsion and industrial safety. For the l
提出了一种开发预测性简化动力学方案(一步/三步链支化)的方法,其中使用详细热化学计算的爆速-曲率(D-κ)曲线作为拟合目标,旨在捕捉曲线的转折点(κcrit)。这是由于在使用传统方法拟合 Taileb 等人(2020 年)的简化方案获得的 κcrit 值与同一作者报告的屈服约束下起爆传播的临界反应层高度(hcrit)之间观察到了类似的趋势。这两种更新的方案都能令人满意地再现目标的 D-κ 曲线,并用于(重新)计算在通道中传播并受惰性层约束的多维蜂窝式起爆。模拟结果表明,在引爆流场、细胞大小分布和 hcrit 方面,模拟结果与采用详细动力学方法获得的结果更加一致。此外,还观察到计算前沿的平均曲率与 D-κ 公式预测的一致,为安全研究中快速、低成本估算起爆极限行为的减阶模型的适用性提供了佐证。这是通过将爆速-曲率曲线(D-κ)作为拟合目标来实现的。传统的拟合程序,例如以点火延迟时间和/或匹配 ZND 剖面为目标,在以前的研究中表现不佳。新方法在预测理想爆轰中的动态爆轰参数(如单元尺寸分布)以及预测屈服约束(hcrit)下爆轰传播的临界反应层高度(一种与推进和工业安全相关的典型构型)方面都有显著改进。对于后者,新方法得出 H2-O2 起爆的 hcrit 分别为 hcrit=12 毫米(而不是 24 毫米(传统方法))和 hcrit=8 毫米(而不是 20 毫米),适用于 1 步和 3 步模型。Dκ 结果更接近于用详细动力学方法得出的结果(hcrit=6 毫米)和实验测量结果(hcrit=4.6 毫米)。该方法具有通用性,可应用于任何感兴趣的混合物。
{"title":"Towards predictive simplified chemical kinetics for hydrogen detonations","authors":"","doi":"10.1016/j.combustflame.2024.113710","DOIUrl":"10.1016/j.combustflame.2024.113710","url":null,"abstract":"&lt;div&gt;&lt;p&gt;A methodology to develop predictive simplified kinetics schemes (one-step/three-step chain-branching) is presented in which detonation velocity-curvature (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) curves computed with detailed thermochemistry are used as the fitting target aiming to capture the turning point of the curve (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mtext&gt;crit&lt;/mtext&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;). This was motivated by the similar trend observed between the &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mtext&gt;crit&lt;/mtext&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; values obtained using the simplified schemes of Taileb et al. (2020), fitted using conventional methods, and the critical reactive layer heights for detonation propagation under yielding confinement (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;h&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mtext&gt;crit&lt;/mtext&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) reported by the same authors. Both updated schemes satisfactorily reproduce the target &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; curves and are used to (re)compute multidimensional cellular detonations propagating in channels and confined by inert layers. Simulations show a much better agreement with the results obtained with detailed kinetics for the detonation flow fields, cell sizes distributions, and &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;h&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mtext&gt;crit&lt;/mtext&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;. Moreover, it is observed that the average curvatures of the computed fronts are in line with those predicted by the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; formulation, providing supporting evidence of the applicability of reduced order models for fast and inexpensive estimates of detonation limiting behaviors in safety studies.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Novelty and Significance Statement&lt;/strong&gt;&lt;/p&gt;&lt;p&gt;The novelty of this research lies in proposing and testing an alternative methodology to determine the kinetics parameters of simplified kinetics schemes (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;step and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;step) so that these retain the predictive capabilities of detailed kinetics. This is achieved by using detonation velocity-curvature curves (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;D&lt;/mi&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;κ&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) as a fitting target. Conventional fitting procedures, such as targeting ignition delay times and/or matching ZND profiles have been shown to perform poorly in previous research. The new methodology shows significant improvements in the prediction of dynamic detonation parameters in ideal detonations such as cell sizes distributions, as well as in the prediction of the critical reactive layer heights for detonation propagation under yielding confinement (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;h&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mtext&gt;crit&lt;/mtext&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;); a canonical configuration of interest to propulsion and industrial safety. For the l","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S001021802400419X/pdfft?md5=cfeb8baa19de00e6a101557930f3e334&pid=1-s2.0-S001021802400419X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental assessment of kinetic energy backscatter in turbulent premixed swirl flames across swirl, scale, and conditions 湍流预混漩涡火焰动能后向散射在不同漩涡、尺度和条件下的实验评估
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-05 DOI: 10.1016/j.combustflame.2024.113701

The inter-scale transfer of kinetic energy is analyzed in fuel-lean turbulent premixed swirl flames with varying equivalence ratio, velocity, and swirl number. Measurements are made using tomographic particle image velocimetry (TPIV) and formaldehyde planar laser induced fluorescence (PLIF) to measure three-dimensional velocity fields and deduce planar flame properties, respectively. It first is demonstrated that velocity measurements that spatially filter the true velocity fields at the TPIV interrogation box size can be used to deduce inter-scale energy transfer at scales sufficiently above the TPIV resolution. Mean small-to-large scale transfer of kinetic energy – i.e. mean backscatter or an inverse cascade – occurs across all conditions and length-scales studied, in contrast to the classical production-driven forward cascade described by Kolmogorov’s equilibrium concepts. The magnitude of backscatter increases with increasing turbulence kinetic energy and equivalence ratio (in these lean flames), but decreased with increasing swirl number. Normalization by a dimensionless thermal expansion parameter that relates the pressure difference and kinetic energy difference over the flame (O’Brien et al., (2017)) collapses the data across equivalence ratios at a given flow condition. Further normalization by a characteristic parameter describing the swirl-induced radial pressure gradient largely collapses the data across swirl numbers and flow rates. The existence of the inverse cascade at the studied conditions and the relationship with the swirl-induced pressure gradient indicate that large-scale, geometry-driven pressure fields play an important role in turbulent kinetic energy dynamics for practical systems.

Novelty and Significance Statement

This paper presents a novel extension of previous analyzes of the inverse turbulent kinetic energy cascade in turbulent premixed flames to high Karlovitz numbers and large spatial scales. It provides the first demonstration – either experimentally or computationally – that energy backscatter reaches to scales beyond the turbulent flame brush thickness and occurs for Ka>100. By studying multiple swirl numbers, it provides novel insight regarding the influence of geometry-scale pressure fields on kinetic energy dynamics in flames. It also demonstrates new analytical techniques for experimentally quantifying backscatter.

The manuscript is significant because it provides some of the most compelling evidence to-date that standard models for turbulence and turbulence-flame interactions – which are based on Kolmogorov’s equilibrium hypothesis – are missing key physical phenomena. It, therefore, motivates development and use of more accurate LES closure models.

本文分析了在不同当量比、速度和漩涡数的燃料倾斜湍流预混合漩涡火焰中动能的尺度间传递。使用断层粒子图像测速仪(TPIV)和甲醛平面激光诱导荧光(PLIF)分别测量三维速度场和推断平面火焰特性。首先证明的是,在 TPIV 检测盒尺寸上对真实速度场进行空间过滤的速度测量结果,可用于推断 TPIV 分辨率以上尺度的尺度间能量传递。在所研究的所有条件和长度尺度下,都会发生平均的小尺度到大尺度的动能传递(即平均反向散射或反向级联),这与科尔莫戈罗夫平衡概念所描述的经典的生产驱动型正向级联形成了鲜明对比。反向散射的幅度随着湍流动能和等效比(在这些贫焰中)的增加而增加,但随着漩涡数的增加而减小。通过将火焰上的压力差和动能差联系起来的无量纲热膨胀系数进行归一化处理(O'Brien 等人,(2017 年)),可以在给定流动条件下将不同等效比的数据合并。通过描述漩涡引起的径向压力梯度的特征参数进行进一步归一化,可以在很大程度上整理不同漩涡数和流速下的数据。在研究条件下反级联的存在以及与漩涡诱导压力梯度的关系表明,大尺度、几何驱动的压力场在实际系统的湍流动能动力学中发挥着重要作用。 新颖性和意义声明 本文将之前对湍流预混火焰中反湍流动能级联的分析扩展到了高卡尔洛维茨数和大空间尺度,是一种新颖的研究方法。它首次通过实验或计算证明,能量反向散射的尺度超出了湍流火焰刷厚度,并且在 Ka>100 时也会发生。通过研究多个漩涡数,它提供了关于几何尺度压力场对火焰动能动态影响的新见解。该手稿意义重大,因为它提供了迄今为止最有说服力的证据,证明基于科尔莫哥罗夫平衡假说的湍流和湍流-火焰相互作用标准模型遗漏了关键的物理现象。因此,它推动了更精确的 LES 闭合模型的开发和使用。
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引用次数: 0
In-depth exploration of multi-stage heat release phenomenon in high-temperature regions of PMH auto-ignition 深入探讨 PMH 自燃高温区的多级放热现象
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-09-05 DOI: 10.1016/j.combustflame.2024.113715

2,2,4,6,6-pentamethylheptane (PMH) stands out as a highly branched alkane with promising applications in sustainable aviation fuels, making it a notable candidate for ongoing efforts to replace conventional jet fuels. This study contributes significantly to our understanding of PMH combustion by providing a comprehensive dataset of new high-temperature experimental data and an optimized detailed high-temperature kinetic mechanism. The experimental results exhibit a strong agreement with the predictions of the refined model. The shock tube experiments covered a range of conditions, including equivalence ratios of 0.5 and 1.0, pressures from 1 to 20 atm, and temperatures from 850 to 1450 K. One noteworthy observation is the significant two-stage heat release phenomenon in the high-temperature region, particularly in highly branched alkanes like PMH. Although the heat release in the first stage is weak and its impact on the actual engine may be limited, it holds scientific significance in optimizing the chemical reaction kinetics model. The detailed kinetic analysis, incorporating sensitivity analysis and reaction path analysis based on the optimized model, offers a profound insight into the combustion characteristics of PMH. This analytical approach deepens our understanding of the observed first-stage heat release phenomenon from a kinetic perspective, shedding light on the intricate combustion behavior of PMH under high-temperature conditions. The findings contribute not only to the fundamental knowledge of PMH combustion but also hold practical relevance for the development and optimization of alternative fuels.

2,2,4,6,6-五甲基庚烷(PMH)是一种高度支化的烷烃,在可持续航空燃料中具有广阔的应用前景,因此成为替代传统喷气燃料的重要候选物质。本研究通过提供新的高温实验数据的综合数据集和优化的详细高温动力学机制,极大地促进了我们对 PMH 燃烧的理解。实验结果与改进模型的预测结果非常吻合。冲击管实验涵盖了一系列条件,包括当量比为 0.5 和 1.0、压力为 1 至 20 个大气压、温度为 850 至 1450 K。虽然第一阶段的热释放很微弱,对实际发动机的影响可能有限,但它对优化化学反应动力学模型具有重要的科学意义。详细的动力学分析,包括基于优化模型的敏感性分析和反应路径分析,使我们对 PMH 的燃烧特性有了深刻的认识。这种分析方法从动力学角度加深了我们对观察到的第一阶段放热现象的理解,揭示了 PMH 在高温条件下错综复杂的燃烧行为。这些发现不仅有助于增进对 PMH 燃烧的基本认识,而且对替代燃料的开发和优化也具有实际意义。
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引用次数: 0
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Combustion and Flame
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