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An experimental and kinetic modeling study on 4-methylheptane pyrolysis at atmospheric pressure 常压下 4-甲基庚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 : 2024-10-12 DOI: 10.1016/j.combustflame.2024.113790
Haikun Lang , Fangping Bin , Shuyao Chen , Xiaoli Zhang , Jiuzheng Yin , Jinzeng Pan , Zhandong Wang , Lixia Wei
Fischer–Tropsch synthesis is an important route for the productions of cleaner fuels from non-petroleum materials. Monomethylated alkanes are present in large quantities in Fischer–Tropsch synthetic fuels. However, side-chain position may make a difference in the combustion of the fuels. In this work, the 4-methylheptane (MH4) pyrolysis was investigated experimentally by using a jet-stirred reactor at 800–1125 K and at 760 Torr. Major pyrolysis products, including small molecules and aromatic products, were identified and measured by using the synchrotron ultra-violet photoionization method. Several species were detected and measured, including CH4, C2H2, C2H4, C2H6, C3H4, C3H6, C3H8, C4H6, IC4H8, C5H6, C5H81-3, C5H10-2, benzene, naphthalene, indene and C6H5C2H, etc. A detailed kinetic model of MH4 pyrolysis was developed and validated against the experimental results in this work. Rate of production analysis of MH4 indicates that the most significant consumption pathways are H-abstractions. The unimolecular decomposition reactions by the breakages of CC bonds are also important pathways in MH4 consumption. The pyrolysis product distributions of 4-methylheptane, 3-methylheptane and 2-methylheptane were compared to demonstrate the effect of the methyl side chain position on the pyrolysis of those fuels. It is noted that the mole fraction distributions of the smaller species, including CH4, C2H2 and C2H6, are not sensitive to the position of the methyl side-chain, while those of C3-C5 products, including PC3H4, C3H6, C4H6, IC4H8, C5H81-3 and C5H10-2, are strongly affected.

Novelty and significance statement

The products of 4-methylheptane pyrolysis were identified and measured by using the synchrotron ultra-violet photoionization method. A detailed kinetic model of 4-methylheptane pyrolysis at atmospheric was constructed for the first time. The consumption pathways of 4-methylheptane pyrolysis were clarified. The effect of methyl side chain position on fuel pyrolysis was analysed. 4-Methylheptane is one of the important branched alkanes in Fischer–Tropsch synthetic diesel fuel. The present work extends the understanding of pyrolysis of long branched alkanes. The results of the study provide guidance in exploring ideal compositions for diesel alternative fuels.
费托合成是利用非石油材料生产清洁燃料的重要途径。单甲基烷烃大量存在于费托合成燃料中。然而,侧链位置可能会影响燃料的燃烧。在这项工作中,使用喷射搅拌反应器在 800-1125 K 和 760 Torr 下对 4-甲基庚烷(MH4)热解进行了实验研究。利用同步辐射紫外线光离子化方法对主要热解产物(包括小分子和芳香族产物)进行了鉴定和测量。检测和测量的产物包括 CH4、C2H2、C2H4、C2H6、C3H4、C3H6、C3H8、C4H6、IC4H8、C5H6、C5H81-3、C5H10-2、苯、萘、茚和 C6H5C2H 等。本研究建立了详细的 MH4 热解动力学模型,并根据实验结果进行了验证。MH4 的生成速率分析表明,最主要的消耗途径是 H-萃取。由 CC 键断裂引起的单分子分解反应也是 MH4 消耗的重要途径。比较了 4-甲基庚烷、3-甲基庚烷和 2-甲基庚烷的热解产物分布,以说明甲基侧链位置对这些燃料热解的影响。结果表明,CH4、C2H2 和 C2H6 等小分子物质的摩尔分数分布对甲基侧链的位置不敏感,而 PC3H4、C3H6、C4H6、IC4H8、C5H81-3 和 C5H10-2 等 C3-C5 产物的摩尔分数分布则受到很大影响。首次构建了4-甲基庚烷在大气中热解的详细动力学模型。阐明了 4-甲基庚烷热解的消耗途径。分析了甲基侧链位置对燃料热解的影响。4 甲基庚烷是费托合成柴油中重要的支链烷烃之一。本研究拓展了人们对长支链烷烃热解的认识。研究结果为探索柴油替代燃料的理想成分提供了指导。
{"title":"An experimental and kinetic modeling study on 4-methylheptane pyrolysis at atmospheric pressure","authors":"Haikun Lang ,&nbsp;Fangping Bin ,&nbsp;Shuyao Chen ,&nbsp;Xiaoli Zhang ,&nbsp;Jiuzheng Yin ,&nbsp;Jinzeng Pan ,&nbsp;Zhandong Wang ,&nbsp;Lixia Wei","doi":"10.1016/j.combustflame.2024.113790","DOIUrl":"10.1016/j.combustflame.2024.113790","url":null,"abstract":"<div><div>Fischer–Tropsch synthesis is an important route for the productions of cleaner fuels from non-petroleum materials. Monomethylated alkanes are present in large quantities in Fischer–Tropsch synthetic fuels. However, side-chain position may make a difference in the combustion of the fuels. In this work, the 4-methylheptane (MH4) pyrolysis was investigated experimentally by using a jet-stirred reactor at 800–1125 K and at 760 Torr. Major pyrolysis products, including small molecules and aromatic products, were identified and measured by using the synchrotron ultra-violet photoionization method. Several species were detected and measured, including CH<sub>4</sub>, C<sub>2</sub>H<sub>2</sub>, C<sub>2</sub>H<sub>4</sub>, C<sub>2</sub>H<sub>6</sub>, C<sub>3</sub>H<sub>4</sub>, C<sub>3</sub>H<sub>6</sub>, C<sub>3</sub>H<sub>8</sub>, C<sub>4</sub>H<sub>6</sub>, IC<sub>4</sub>H<sub>8</sub>, C<sub>5</sub>H<sub>6</sub>, C<sub>5</sub>H<sub>8</sub>1-3, C<sub>5</sub>H<sub>10</sub>-2, benzene, naphthalene, indene and C<sub>6</sub>H<sub>5</sub>C<sub>2</sub>H, etc. A detailed kinetic model of MH4 pyrolysis was developed and validated against the experimental results in this work. Rate of production analysis of MH4 indicates that the most significant consumption pathways are H-abstractions. The unimolecular decomposition reactions by the breakages of C<img>C bonds are also important pathways in MH4 consumption. The pyrolysis product distributions of 4-methylheptane, 3-methylheptane and 2-methylheptane were compared to demonstrate the effect of the methyl side chain position on the pyrolysis of those fuels. It is noted that the mole fraction distributions of the smaller species, including CH<sub>4</sub>, C<sub>2</sub>H<sub>2</sub> and C<sub>2</sub>H<sub>6</sub>, are not sensitive to the position of the methyl side-chain, while those of C3-C5 products, including PC<sub>3</sub>H<sub>4</sub>, C<sub>3</sub>H<sub>6</sub>, C<sub>4</sub>H<sub>6</sub>, IC<sub>4</sub>H<sub>8</sub>, C<sub>5</sub>H<sub>8</sub>1-3 and C<sub>5</sub>H<sub>10</sub>-2, are strongly affected.</div></div><div><h3>Novelty and significance statement</h3><div>The products of 4-methylheptane pyrolysis were identified and measured by using the synchrotron ultra-violet photoionization method. A detailed kinetic model of 4-methylheptane pyrolysis at atmospheric was constructed for the first time. The consumption pathways of 4-methylheptane pyrolysis were clarified. The effect of methyl side chain position on fuel pyrolysis was analysed. 4-Methylheptane is one of the important branched alkanes in Fischer–Tropsch synthetic diesel fuel. The present work extends the understanding of pyrolysis of long branched alkanes. The results of the study provide guidance in exploring ideal compositions for diesel alternative fuels.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"270 ","pages":"Article 113790"},"PeriodicalIF":5.8,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142423808","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
Size-resolved ignition temperatures of isolated iron microparticles 分离铁微粒的尺寸分辨点火温度
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-12 DOI: 10.1016/j.combustflame.2024.113779
Daoguan Ning, Yuhang Li, Tao Li, Benjamin Böhm, Andreas Dreizler
Ignition temperatures of metal particles play an essential role in not only the fundamental theories of non-volatile dust flames but also the robust operation of practical metal fuel burners. The present paper introduces a novel approach to accurately measure the ignition temperature of an isolated particle. Micron-sized single particles are injected downwards into a quartz tube heated externally by a premixed flame near the bottom end. During free fall, a particle, if sufficiently small, closely follows the gas-phase temperature that increases gradually from top to bottom. By measuring the ignition position of the particles, the ignition temperature is determined from the gas-phase temperature profile that is quantified a priori. Applying the approach together with high-speed imagining and diffuse backlight-illumination techniques, the ignition temperature of approximately 30–60 μm iron particles in O2/N2 mixtures are comprehensively measured at oxygen mole fractions of 10%–50%. The experimental results reveal that the measured ignition temperatures is in the range of 1030–1130 K that are independent of the oxygen mole fraction and the particle size. In contrast, the particle size significantly influences the ignition probability. Smaller particles have lower probabilities to ignite. At the oxygen mole fraction of 10%, ignition is only observed for iron particles larger than approximately 45 μm. For all other cases, ignition is detected for all particle diameters. Possible mechanisms underlying the experimental observations are discussed.
Novelty and significance statement
A novel approach to measure the ignition temperature of an isolated, micron-sized particle is developed. Compared to existing methods, the new approach provides a convenient way to determine the ignition temperature accurately and examine the size dependence of the ignition characteristics. For the first time, size-resolved ignition temperatures of isolated iron particles are reported. For a fixed particle diameter, the existence of an ignition probability is revealed. The quantitative experimental results have a high potential to be widely used to validate models of iron particle ignition.
金属颗粒的点火温度不仅对非挥发性粉尘火焰的基础理论,而且对实用金属燃料燃烧器的稳健运行都起着至关重要的作用。本文介绍了一种精确测量孤立颗粒点火温度的新方法。微米大小的单个颗粒被向下注入一根石英管中,管子底端附近的预混合火焰从外部对其进行加热。在自由落体过程中,如果颗粒足够小,则会紧随气相温度从上到下逐渐升高。通过测量粒子的点火位置,可以根据先验量化的气相温度曲线确定点火温度。将该方法与高速成像和漫反射照明技术结合使用,全面测量了氧气摩尔分数为 10%-50% 时 O2/N2 混合物中约 30-60 μm 铁粒子的点火温度。实验结果表明,测得的点火温度在 1030-1130 K 之间,与氧分子分数和颗粒大小无关。相比之下,颗粒大小对点火概率有很大影响。颗粒越小,点火概率越低。当氧气摩尔分数为 10%时,只有大于约 45 μm 的铁颗粒才能被点燃。在所有其他情况下,所有直径的粒子都能检测到点火现象。新颖性和意义声明:本研究开发了一种测量孤立的微米级颗粒点火温度的新方法。与现有方法相比,新方法为精确测定点火温度和研究点火特性的尺寸依赖性提供了一种便捷的方法。首次报告了孤立铁粒子的尺寸分辨点火温度。对于固定的颗粒直径,揭示了点火概率的存在。定量实验结果极有可能被广泛用于验证铁粒子点火模型。
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引用次数: 0
The improved performance of plasma assisted combustion (PAC) simulations using the fully analytical Jacobian 使用全解析雅各布方程提高等离子体辅助燃烧(PAC)模拟性能
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-11 DOI: 10.1016/j.combustflame.2024.113788
Yangyang Ban , Fan Zhang , Naiyuan Zhang , Shenghui Zhong , Jiajian Zhu , Yiqiang Pei
The open-source package ZDPlasKin is integrated into OpenFOAM to develop the ZDP-OF platform, facilitating simultaneous computations of plasma discharge and chemical reactions for plasma assisted combustion (PAC) simulations. To address the computational challenges arising from the disparity between plasma and chemical kinetics, a chemical model program providing a novel fully analytic molar concentration-based Jacobian, CKJac, is introduced, which incorporates computation cost minimization (CCM) strategies and a revised third-body reactions treatment to enhance the efficiency of solving Ordinary Differential Equations (ODE). Then, the efficiency, accuracy, and applicability of CKJac in handling stiff reactions are evaluated by comparing it with other chemistry models, such as pyJac and Standard (a native chemical model in OpenFOAM). The KLU sparse linear algebra library and LAPACK dense linear algebra library are integrated into CVODE and seulex. The effectiveness and robustness of CKJac with stiff ODE solvers, CVODE, and seulex are rigorously validated and demonstrated on four academic configurations: the zero-dimensional (0D) autoignition and PAC under adiabatic homogeneous constant-pressure systems, a two-dimensional (2D) turbulent reacting shear layer case, the three-dimensional (3D) Sandia Flame D, and 2D plasma assisted flame propagation configuration. It is found that CVODE exhibits a requirement for tighter tolerances to achieve high accuracy, and when using the internally generated numerical Jacobian, CVODE demonstrates high robustness. Seulex consistently presents high efficiency and comparable accuracy to CVODE. The low efficiency of CVODE is ascribed to the inefficient linear algebraic equation solving brought by the inherent reinitialization problem in CVODE. CKJac+seulex showcases a notable up to twofold speedup, delivering high accuracy under loose tolerances compared to Standard+seulex. Moreover, CKJac exhibits superior performance compared to pyJac in diverse combustion scenarios due to its low time costs associated with omega and Jacobian formulation evaluations. When combing with linear algebra libraries, pyJac+seulex_LAPACK shows high robustness and CKJac+seulex_KLU shows orders of magnitude speedup for large mechanisms tested in this work.
开源软件包 ZDPlasKin 被集成到 OpenFOAM 中,以开发 ZDP-OF 平台,促进等离子体辅助燃烧(PAC)模拟中等离子体放电和化学反应的同步计算。为了解决等离子体和化学动力学之间的差异所带来的计算挑战,我们引入了一个化学模型程序,该程序提供了一个新颖的基于摩尔浓度的全解析雅各比,即 CKJac,它结合了计算成本最小化(CCM)策略和修正的第三体反应处理方法,以提高常微分方程(ODE)的求解效率。然后,通过与其他化学模型(如 pyJac 和 Standard,OpenFOAM 中的原生化学模型)进行比较,评估了 CKJac 处理僵化反应的效率、准确性和适用性。CVODE 和 seulex 中集成了 KLU 稀疏线性代数库和 LAPACK 密集线性代数库。CKJac 与刚性 ODE 求解器、CVODE 和 seulex 的有效性和鲁棒性在四种学术配置上得到了严格验证和证明:零维 (0D) 自燃和绝热均质恒压系统下的 PAC、二维 (2D) 湍流反应剪切层情况、三维 (3D) 桑迪亚火焰 D 和二维等离子体辅助火焰传播配置。研究发现,CVODE 需要更严格的公差才能实现高精度,而且在使用内部生成的数值雅各布时,CVODE 表现出很高的鲁棒性。Seulex 始终保持较高的效率和与 CVODE 相当的精度。CVODE 效率低的原因是 CVODE 固有的重新初始化问题导致线性代数方程求解效率低下。与 Standard+seulex 相比,CKJac+seulex 的速度显著提高了两倍,并在宽松公差条件下实现了高精度。此外,与 pyJac 相比,CKJac 在不同的燃烧场景中表现出更优越的性能,这得益于它在欧米茄和雅各布公式评估方面的低时间成本。在与线性代数库结合使用时,pyJac+seulex_LAPACK 显示出很高的鲁棒性,而 CKJac+seulex_KLU 对本研究中测试的大型机构显示出数量级的速度提升。
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引用次数: 0
A Thickened Flame Model adaptation to weakly stretched flames for non-unity Lewis number mixtures 适应非统一路易斯数混合物弱拉伸火焰的加厚火焰模型
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.combustflame.2024.113758
S. Poncet, C. Mehl, K. Truffin, O. Colin
<div><div>For the study and design of industrial scale combustion systems, the Thickened Flame Model (TFM) is a widely used turbulent combustion model. It allows for the direct resolution of the flame front on Large Eddy Simulation (LES) meshes by artificially thickening the flame front by a factor <span><math><mi>F</mi></math></span>, i.e. <span><math><mrow><msub><mrow><mi>δ</mi></mrow><mrow><mi>L</mi></mrow></msub><mo>=</mo><mi>F</mi><msubsup><mrow><mi>δ</mi></mrow><mrow><mi>L</mi></mrow><mrow><mn>0</mn></mrow></msubsup></mrow></math></span>, while the unstretched adiabatic flame speed <span><math><msubsup><mrow><mi>S</mi></mrow><mrow><mi>L</mi></mrow><mrow><mn>0</mn></mrow></msubsup></math></span> is preserved. However, when considering differential diffusion effects, the modification of flame reactivity induced by strain rate and curvature is enhanced by the flame thickening process. Especially, at low stretch rates, the derivative of the flame speed with stretch, i.e. the Markstein length <span><math><mi>L</mi></math></span>, is multiplied by <span><math><mi>F</mi></math></span>. This induces large errors on the stretched flame speed estimation for mixtures with Lewis numbers <span><math><mrow><mi>L</mi><mi>e</mi></mrow></math></span> far from unity, such as for lean hydrogen/air combustion. The present work proposes a methodology to recover the exact Markstein length of thickened flames, called <span><math><mrow><mi>M</mi><mi>a</mi></mrow></math></span>-TFM. This easy-to-implement method relies on a 2-parameters evaluation, which monitors <span><math><mi>L</mi></math></span> and <span><math><msubsup><mrow><mi>S</mi></mrow><mrow><mi>L</mi></mrow><mrow><mn>0</mn></mrow></msubsup></math></span>. Various Markstein length definitions from literature are considered and estimated using two laminar stretched flame configurations: (i) reactants-to-products counter-flow and (ii) spherical flames. <span><math><mrow><mi>M</mi><mi>a</mi></mrow></math></span>-TFM is evaluated for (i) lean H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/air (<span><math><mrow><mi>L</mi><mi>e</mi><mo><</mo><mn>1</mn></mrow></math></span>) and (ii) stoichiometric C<span><math><msub><mrow></mrow><mrow><mn>8</mn></mrow></msub></math></span>H<sub>18</sub>/air (<span><math><mrow><mi>L</mi><mi>e</mi><mo>></mo><mn>1</mn></mrow></math></span>) mixtures at ambient conditions. <span><math><mrow><mi>M</mi><mi>a</mi></mrow></math></span>-TFM accurately recovers the targeted Markstein lengths for both mixtures, enabling precise estimation of either consumption or displacement flame speed at low stretch rates. <span><math><mrow><mi>M</mi><mi>a</mi></mrow></math></span>-TFM remains fairly accurate even at large strain rates for the <span><math><mrow><mi>L</mi><mi>e</mi><mo>></mo><mn>1</mn></mrow></math></span> flame, while on the contrary for the <span><math><mrow><mi>L</mi><mi>e</mi><mo><</mo><mn>1</mn></mrow></math></span> flame, the consumption
在研究和设计工业规模的燃烧系统时,加厚火焰模型(TFM)是一种广泛使用的湍流燃烧模型。它通过人为地将火焰前沿增厚 F 倍,即 δL=FδL0 来直接解析大涡模拟(LES)网格上的火焰前沿,同时保留未拉伸的绝热火焰速度 SL0。然而,当考虑到差分扩散效应时,应变率和曲率引起的火焰反应性变化会因火焰增粗过程而增强。特别是在低拉伸率时,火焰速度与拉伸的导数(即马克斯坦长度 L)会乘以 F。对于路易斯数 Le 远远低于统一的混合物,例如贫氢/空气燃烧,拉伸火焰速度估算会产生较大误差。本研究提出了一种恢复加厚火焰精确马克斯坦长度的方法,称为 Ma-TFM。这种易于实施的方法依赖于监测 L 和 SL0 的双参数评估。考虑并估算了文献中的各种马克斯坦长度定义,并使用了两种层流拉伸火焰配置:(i) 反应物-生成物逆流和 (ii) 球形火焰。Ma-TFM 针对环境条件下 (i) 贫氢/空气(Le<1)和 (ii) 化学计量 C8H18/空气(Le>1)混合物进行了评估。Ma-TFM 可准确恢复这两种混合物的目标马克斯坦长度,从而在低伸展率条件下精确估算消耗或位移火焰速度。对于 Le>1 火焰,Ma-TFM 即使在较大的应变速率下也能保持相当高的精确度,相反,对于 Le<1 火焰,消耗速度的预测则严重不足。然后对使用 Ma-TFM 的熄灭应变率进行了评估,结果显示,与标准 TFM 一样,两种火焰的熄灭应变率都系统性地预测不足。因此,还需要做更多的工作来揭示 Le<1 火焰条件。Ma-TFM 最后在具有化学计量 C8H18/ 空气混合物的火焰涡流配置上进行了评估。与标准 TFM 相比,Ma-TFM 能更好地估算火焰几何形状的演变和火焰前沿的反应性。以往的研究仅考虑逆流应变火焰来建立模型参数,而本研究通过比较应变火焰和弯曲(球形)火焰来评估所采用的典型火焰配置的影响。此外,还首次评估了所考虑的层流火焰速度(消耗速度或位移速度)的选择。最重要的是,以前的拉伸校正方法只适用于正马克斯坦长度混合物(Le>1 情况),而本文表明,只要拉伸率保持较低水平,建议的拉伸校正方法也可适用于负马克斯坦长度混合物(此处为贫氢/空气混合物)。最后,作为火焰/湍流相互作用建模的第一步,首次对典型火焰-漩涡配置的拉伸修正效率进行了量化。
{"title":"A Thickened Flame Model adaptation to weakly stretched flames for non-unity Lewis number mixtures","authors":"S. Poncet,&nbsp;C. Mehl,&nbsp;K. Truffin,&nbsp;O. Colin","doi":"10.1016/j.combustflame.2024.113758","DOIUrl":"10.1016/j.combustflame.2024.113758","url":null,"abstract":"&lt;div&gt;&lt;div&gt;For the study and design of industrial scale combustion systems, the Thickened Flame Model (TFM) is a widely used turbulent combustion model. It allows for the direct resolution of the flame front on Large Eddy Simulation (LES) meshes by artificially thickening the flame front by a factor &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;, i.e. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;δ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;mi&gt;δ&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, while the unstretched adiabatic flame speed &lt;span&gt;&lt;math&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;/math&gt;&lt;/span&gt; is preserved. However, when considering differential diffusion effects, the modification of flame reactivity induced by strain rate and curvature is enhanced by the flame thickening process. Especially, at low stretch rates, the derivative of the flame speed with stretch, i.e. the Markstein length &lt;span&gt;&lt;math&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;, is multiplied by &lt;span&gt;&lt;math&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;. This induces large errors on the stretched flame speed estimation for mixtures with Lewis numbers &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; far from unity, such as for lean hydrogen/air combustion. The present work proposes a methodology to recover the exact Markstein length of thickened flames, called &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;-TFM. This easy-to-implement method relies on a 2-parameters evaluation, which monitors &lt;span&gt;&lt;math&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;mi&gt;S&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;/math&gt;&lt;/span&gt;. Various Markstein length definitions from literature are considered and estimated using two laminar stretched flame configurations: (i) reactants-to-products counter-flow and (ii) spherical flames. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;-TFM is evaluated for (i) lean H&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;/air (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mo&gt;&lt;&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) and (ii) stoichiometric C&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;8&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;H&lt;sub&gt;18&lt;/sub&gt;/air (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mo&gt;&gt;&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) mixtures at ambient conditions. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;-TFM accurately recovers the targeted Markstein lengths for both mixtures, enabling precise estimation of either consumption or displacement flame speed at low stretch rates. &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;-TFM remains fairly accurate even at large strain rates for the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mo&gt;&gt;&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; flame, while on the contrary for the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;L&lt;/mi&gt;&lt;mi&gt;e&lt;/mi&gt;&lt;mo&gt;&lt;&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; flame, the consumption","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"270 ","pages":"Article 113758"},"PeriodicalIF":5.8,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142423987","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
Kinetic investigations on the β-scission reactions of hydroperoxy methyl-ester radicals and the concerted HO2 elimination reactions of methyl-ester peroxy radicals: Implication for low-temperature combustion modeling of methyl esters 氢过氧甲基酯自由基的 β 分裂反应和甲基酯过氧自由基的协同 HO2 消除反应的动力学研究:对甲酯低温燃烧模型的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.combustflame.2024.113787
Tao Li , Siyu Chen , Juanqin Li , Quan Zhu , Zerong Li
The β-scission reactions of hydroperoxy methyl-ester radicals (•QOOH radicals in methyl esters) and the concerted HO2• elimination reactions of methyl-ester peroxy radicals (ROO• in methyl esters) are two reaction classes that play a crucial role in terminating the chain reaction during the low-temperature combustion of methyl esters. These reactions are also key contributors to the negative temperature coefficient behavior and ignition inhibition observed in biodiesel. Although limited rate constants for these classes in small methyl esters have been calculated, those in larger methyl ester models are frequently approximated based on analogous alkyl reactions in alkanes. In this study, the isodesmic reaction method is utilized to correct the energy barriers and high-pressure-limit rate constants calculated at the low-level B3LYP method. The objective is to approximate the results obtained with the high-level G4 method. The β-scission class is further categorized into 6 subclasses based on the position of the newly formed CC bond in the olefin ester product and the location of the radical on the reactant and the concerted elimination class is divided into 4 subclasses based on the position of the newly formed CC bond in the olefin ester product and the carbon sites where the -OOH group and the eliminated H atom are situated. High-pressure-limit and pressure-dependent rate rules for subclasses are established by averaging rate constants within each subclass. Notably, substantial disparities are observed between our rate constants and those reported in models for large methyl esters, where rate constants are approximated from analogous alkyl reactions in alkanes. This underscores the significant uncertainty associated with the direct application of alkyl reaction rate constants in biodiesel models. Consequently, a low-temperature oxidation model of methyl octanoate/ethanol is developed through the incorporation of the rate rules derived in this study, resulting in a model that effectively reproduces experimental data within the conditions of a jet-stirred reactor.
氢过氧甲基酯自由基(甲基酯中的 -QOOH 自由基)的 β 分裂反应和甲基酯过氧自由基(甲基酯中的 ROO-)的协同 HO2- 消除反应是在甲基酯低温燃烧过程中对终止链式反应起关键作用的两类反应。这些反应也是生物柴油中出现负温度系数行为和点火抑制的主要原因。虽然计算出的小型甲酯中此类反应的速率常数有限,但大型甲酯模型中的速率常数通常是根据烷烃中类似的烷基反应来近似计算的。在本研究中,利用等渗反应方法修正了低级 B3LYP 方法计算出的能障和高压极限速率常数。这样做的目的是为了接近用高级 G4 方法得到的结果。根据新形成的 CC 键在烯烃酯产物中的位置以及自由基在反应物上的位置,将 β 裂解类进一步分为 6 个子类;根据新形成的 CC 键在烯烃酯产物中的位置以及 -OOH 基团和被消除的 H 原子所在的碳位点,将协同消除类分为 4 个子类。通过平均每个亚类中的速率常数,建立了亚类的高压极限和压力依赖性速率规则。值得注意的是,我们的速率常数与大甲酯模型中报告的速率常数之间存在很大差异,后者的速率常数是根据烷烃中类似的烷基反应近似得出的。这说明在生物柴油模型中直接应用烷基反应速率常数存在很大的不确定性。因此,通过纳入本研究得出的速率规则,建立了辛酸甲酯/乙醇的低温氧化模型,该模型可在喷射搅拌反应器的条件下有效再现实验数据。
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引用次数: 0
Shock tube experiments and numerical study on ignition delay times of ammonia/oxymethylene ether-2 (OME2) mixtures 关于氨/氧甲醚-2(OME2)混合物点火延迟时间的冲击管实验和数值研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.combustflame.2024.113783
Lingfeng Dai, Jiacheng Liu, Chun Zou, Qianjin Lin, Tong Jiang, Chao Peng
Recently, ammonia (NH3) becomes an attractive alternative fuel to reduce CO2 emissions. The combustion of NH3 mixed with reactive fuels is a feasible solution to the issue of low reactivity. In the present study, the ignition delay times (IDTs) of NH3/OME2 were measured in a shock tube at an equivalence ratio of 0.5, two pressures of 1.75 and 10 bar, and a temperature range of 1245–1797 K with OME2 mole fractions of 0.05, 0.1, and 0.2. The OME2NH3 model was proposed including the OME2 model updated in this work, the NH3 model optimized in our previous work, and some cross-reactions between nitrogen-containing species and C1C4 species. The OME2NH3 model well predicts the IDTs and species profiles of NH3/OME2 and IDTs and laminar flame speeds of NH3/OME1, as well as the IDTs, laminar flame speeds, and species profiles of OME1 and OME2. The cross-reactions considered in this work significantly improve the model prediction. The effects of cross-reactions on the high and low-temperature reactivity of NH3/OME2 were analyzed in detail. The comparison between the OME2NH3 model and the Li-Shrestha model illustrated that the OME2 model updated in this work significantly improves the model prediction. This research provides archival experimental data for the NH3/OME2 ignition and provides insights into the interactions between OME2 and NH3 by the detailed numerical simulations.
近来,氨气(NH3)已成为减少二氧化碳排放的一种极具吸引力的替代燃料。NH3 与活性燃料混合燃烧是解决低活性问题的可行方案。本研究测量了 NH3/OME2 在冲击管中的点火延迟时间 (IDT),测量条件为当量比 0.5,两个压力分别为 1.75 和 10 巴,温度范围为 1245-1797 K,OME2 摩尔分数分别为 0.05、0.1 和 0.2。提出的 OME2NH3 模型包括本研究中更新的 OME2 模型、先前研究中优化的 NH3 模型以及含氮物质和 C1C4 物质之间的一些交叉反应。OME2NH3 模型很好地预测了 NH3/OME2 的 IDT 和物种分布、NH3/OME1 的 IDT 和层流火焰速度,以及 OME1 和 OME2 的 IDT、层流火焰速度和物种分布。这项工作中考虑的交叉反应大大改进了模型预测。详细分析了交叉反应对 NH3/OME2 高温和低温反应性的影响。OME2NH3 模型与 Li-Shrestha 模型之间的比较表明,本研究中更新的 OME2 模型明显改善了模型预测。这项研究提供了 NH3/OME2 点火的档案实验数据,并通过详细的数值模拟深入了解了 OME2 与 NH3 之间的相互作用。
{"title":"Shock tube experiments and numerical study on ignition delay times of ammonia/oxymethylene ether-2 (OME2) mixtures","authors":"Lingfeng Dai,&nbsp;Jiacheng Liu,&nbsp;Chun Zou,&nbsp;Qianjin Lin,&nbsp;Tong Jiang,&nbsp;Chao Peng","doi":"10.1016/j.combustflame.2024.113783","DOIUrl":"10.1016/j.combustflame.2024.113783","url":null,"abstract":"<div><div>Recently, ammonia (NH<sub>3</sub>) becomes an attractive alternative fuel to reduce CO<sub>2</sub> emissions. The combustion of NH<sub>3</sub> mixed with reactive fuels is a feasible solution to the issue of low reactivity. In the present study, the ignition delay times (IDTs) of NH<sub>3</sub>/OME<sub>2</sub> were measured in a shock tube at an equivalence ratio of 0.5, two pressures of 1.75 and 10 bar, and a temperature range of 1245–1797 K with OME<sub>2</sub> mole fractions of 0.05, 0.1, and 0.2. The OME<sub>2</sub><img>NH<sub>3</sub> model was proposed including the OME<sub>2</sub> model updated in this work, the NH<sub>3</sub> model optimized in our previous work, and some cross-reactions between nitrogen-containing species and C<sub>1</sub><img>C<sub>4</sub> species. The OME<sub>2</sub><img>NH<sub>3</sub> model well predicts the IDTs and species profiles of NH<sub>3</sub>/OME<sub>2</sub> and IDTs and laminar flame speeds of NH<sub>3</sub>/OME<sub>1</sub>, as well as the IDTs, laminar flame speeds, and species profiles of OME<sub>1</sub> and OME<sub>2</sub>. The cross-reactions considered in this work significantly improve the model prediction. The effects of cross-reactions on the high and low-temperature reactivity of NH<sub>3</sub>/OME<sub>2</sub> were analyzed in detail. The comparison between the OME<sub>2</sub><img>NH<sub>3</sub> model and the Li-Shrestha model illustrated that the OME<sub>2</sub> model updated in this work significantly improves the model prediction. This research provides archival experimental data for the NH<sub>3</sub>/OME<sub>2</sub> ignition and provides insights into the interactions between OME<sub>2</sub> and NH<sub>3</sub> by the detailed numerical simulations.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"270 ","pages":"Article 113783"},"PeriodicalIF":5.8,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142423809","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
Numerical analysis of the flame piston-model for acceleration runaway in thin tubes 薄管中加速失控火焰活塞模型的数值分析
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.combustflame.2024.113775
Raúl Hernández-Sánchez , Bruno Denet
A one-dimensional model is developed and studied to explore the flame acceleration runaway mechanism for deflagration-to-detonation transition in thin tubes. This mechanism relies solely on the thermal feedback between the compression waves ahead of the flame and the temperature-sensitive laminar velocity of the flame. Within this model, the primary driver of the flame acceleration and compressive heating enhancement is the gas flow caused by the increased flame surface area. Results from the numerical integration of the reactive Navier–Stokes equations for perfect gases with a single-step chemical-kinetics model are compared with the solutions obtained when considering the flame as a steady-state discontinuity. The numerical results illustrate the flame acceleration runaway in finite time caused by a double feedback loop established in this model. The evolution of the flame acceleration towards a finite-time singularity eventually leads to the formation of a shock wave within the flame structure, triggering the onset of a detonation.
Novelty and significance statement
This paper presents numerical results obtained using an approach recently proposed to study the effect of flame acceleration on the one-dimensional internal structure of the flame. Unlike previous studies on flame acceleration leading to DDT based on one-dimensional models in which the flame acceleration due to the increase of its surface area is modeled by accelerating chemical kinetics, the present approach consists in the introduction of a backflow of burned gases pushing the flame tip from behind as a piston. The numerical analysis performed in this work allows considering finite reaction rates in this model obtaining results that compare favorably with those obtained when the flame is considered as a discontinuity. The results of this numerical study support previous analytical studies on the flame acceleration runaway mechanism for DDT and illustrate the acceleration process of a flame propagating over a gas flow with a markedly subsonic velocity which leads to the onset of a detonation.
建立并研究了一个一维模型,以探索薄管中爆燃到爆燃转变的火焰加速失控机制。该机制完全依赖于火焰前方的压缩波与火焰的温度敏感层流速度之间的热反馈。在这一模型中,火焰加速和压缩加热增强的主要驱动力是火焰表面积增大引起的气体流动。采用单步化学动力学模型对完全气体的反应纳维-斯托克斯方程进行数值积分的结果,与将火焰视为稳态不连续时获得的解进行了比较。数值结果表明,在该模型中建立的双反馈回路导致火焰在有限时间内加速失控。火焰加速度向有限时间奇点的演化最终导致在火焰结构内形成冲击波,引发爆炸。与以往基于一维模型对导致 DDT 的火焰加速进行的研究(其中通过加速化学动力学对由于表面积增加而导致的火焰加速进行建模)不同,本方法包括引入燃烧气体的回流,将火焰尖端作为活塞从后面推动。这项工作中进行的数值分析允许在该模型中考虑有限的反应速率,得到的结果与将火焰视为不连续体时得到的结果相差无几。这项数值研究的结果支持了之前关于滴滴涕火焰加速失控机制的分析研究,并说明了火焰以明显的亚音速在气流中传播并导致爆炸发生的加速过程。
{"title":"Numerical analysis of the flame piston-model for acceleration runaway in thin tubes","authors":"Raúl Hernández-Sánchez ,&nbsp;Bruno Denet","doi":"10.1016/j.combustflame.2024.113775","DOIUrl":"10.1016/j.combustflame.2024.113775","url":null,"abstract":"<div><div>A one-dimensional model is developed and studied to explore the flame acceleration runaway mechanism for deflagration-to-detonation transition in thin tubes. This mechanism relies solely on the thermal feedback between the compression waves ahead of the flame and the temperature-sensitive laminar velocity of the flame. Within this model, the primary driver of the flame acceleration and compressive heating enhancement is the gas flow caused by the increased flame surface area. Results from the numerical integration of the reactive Navier–Stokes equations for perfect gases with a single-step chemical-kinetics model are compared with the solutions obtained when considering the flame as a steady-state discontinuity. The numerical results illustrate the flame acceleration runaway in finite time caused by a double feedback loop established in this model. The evolution of the flame acceleration towards a finite-time singularity eventually leads to the formation of a shock wave within the flame structure, triggering the onset of a detonation.</div><div><strong>Novelty and significance statement</strong></div><div>This paper presents numerical results obtained using an approach recently proposed to study the effect of flame acceleration on the one-dimensional internal structure of the flame. Unlike previous studies on flame acceleration leading to DDT based on one-dimensional models in which the flame acceleration due to the increase of its surface area is modeled by accelerating chemical kinetics, the present approach consists in the introduction of a backflow of burned gases pushing the flame tip from behind as a piston. The numerical analysis performed in this work allows considering finite reaction rates in this model obtaining results that compare favorably with those obtained when the flame is considered as a discontinuity. The results of this numerical study support previous analytical studies on the flame acceleration runaway mechanism for DDT and illustrate the acceleration process of a flame propagating over a gas flow with a markedly subsonic velocity which leads to the onset of a detonation.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"270 ","pages":"Article 113775"},"PeriodicalIF":5.8,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142423807","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
Investigating combustion efficiency and NOx emission reduction in fluidized bed ammonia-coal co-firing 流化床氨-煤联合燃烧的燃烧效率和氮氧化物减排研究
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-10 DOI: 10.1016/j.combustflame.2024.113735
Tianxin Li , Lin Li , Chong Liu , Heng Liu , Guang Sun , Ning Ding , Dennis Lu , Lunbo Duan
Ammonia, a carbon-free fuel, can significantly reduce CO2 emissions when co-fired with coal in power plants. Fluidized bed combustion, known for its excellent gas-solid mixing and low NOx emissions, is a promising method for ammonia-coal co-firing. However, challenges remain in optimizing ammonia injection and controlling nitrogen oxide emissions. This study investigates these aspects using a lab-scale fluidized bed reactor with flexible ammonia injection points. Key variables, such as ammonia co-firing ratios, injection location, temperature, and outlet oxygen concentration, are examined. The results show that with ammonia injection ratios up to 70 %, NO and N2O emissions slightly increase, while ammonia escape is maintained below 5 ppm. Air staging effectively controls NOx emissions, and higher temperatures promote N2O decomposition, but increase NOx levels. Ammonia injection does not raise unburned carbon content. Rate of production and sensitivity analyses highlight the role of OH radicals in ammonia conversion and identify the critical reactions affecting NO generation. This study highlights the feasibility of fluidized bed ammonia-coal co-firing technology.
氨是一种无碳燃料,在发电厂与煤共同燃烧时可显著减少二氧化碳排放量。流化床燃烧因其出色的气固混合和低氮氧化物排放而闻名,是一种很有前景的氨煤共烧方法。然而,在优化氨喷射和控制氮氧化物排放方面仍存在挑战。本研究利用实验室规模的流化床反应器和灵活的氨注入点对这些方面进行了研究。研究了一些关键变量,如氨气共烧比率、注入位置、温度和出口氧气浓度。结果表明,当氨的注入比例高达 70%时,氮氧化物和一氧化二氮的排放量会略有增加,而氨的逸出量则保持在 5ppm 以下。空气分级可有效控制氮氧化物的排放,较高的温度可促进一氧化二氮的分解,但会增加氮氧化物的含量。氨的注入不会提高未燃烧碳的含量。生产率和敏感性分析强调了 OH 自由基在氨转化中的作用,并确定了影响 NO 生成的关键反应。这项研究强调了流化床氨-煤联合燃烧技术的可行性。
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引用次数: 0
Strong and weak interactions of a V-shaped premixed swirling flame with outer vortex rings 带有外涡旋环的 V 形预混合漩涡火焰的强相互作用和弱相互作用
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-08 DOI: 10.1016/j.combustflame.2024.113760
Yongzhi Ren, Qiuxiao Wang, Yuqian Peng, Liangliang Xu, Xi Xia, Fei Qi
This paper reports two distinct vortex-flame interaction mechanisms existing in a self-excited V-shaped premixed flame. Time-resolved simultaneous measurements of particle image velocimetry (PIV) and OH* chemiluminescence are employed to capture the mean and coherent flow and flame structures. The qualitative study demonstrates the importance of the outer vortex rings (OVR) in governing the flame front dynamics of two representative lean and near-stoichiometric cases. The interaction of the flame with the OVRs is further analyzed quantitatively during one OVR's entire lifespan. Results suggest that the vortex-flame interaction in the lean case is a weak one as the response of the flame's HRR to OVR's growth is interrupted by the tip extinction. This can be understood as a response to the flow perturbation excited in the Helmholtz mode of the plenum. However, the near-stoichiometric case yields a strong interaction that the peak HRR is synchronized with the OVR's peak circulation, which could contribute to a stronger thermoacoustic coupling that leads to the stronger pressure oscillation and frequency drift away from the Helmholtz mode.
本文报告了自激 V 形预混合火焰中存在的两种不同的涡流-火焰相互作用机制。采用粒子图像测速仪(PIV)和 OH* 化学发光的时间分辨同步测量来捕捉平均和相干的流动和火焰结构。定性研究证明了外涡环(OVR)在控制两种具有代表性的贫油和近碳计量情况下的火焰前沿动态方面的重要性。研究还进一步定量分析了在一个外涡环的整个生命周期中火焰与外涡环的相互作用。结果表明,在贫化情况下,涡流与火焰的相互作用是微弱的,因为火焰的 HRR 对 OVR 增长的响应被尖端熄灭所打断。这可以理解为是对在全腔亥姆霍兹模式下激发的流动扰动的响应。然而,在接近化学计量的情况下,HRR 的峰值与 OVR 的循环峰值同步,这可能会产生更强的热声耦合,导致更强的压力振荡和频率偏离 Helmholtz 模式。
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引用次数: 0
Three-dimensional simulations of NEPE propellant combustion under depressurization effects 减压效应下 NEPE 推进剂燃烧的三维模拟
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-10-07 DOI: 10.1016/j.combustflame.2024.113785
Kaixuan Chen , Zhenwei Ye , Yizhe Yu , Xiaochun Xue , Yonggang Yu
This study aims to analyze the characteristics of micro-combustion and unsteady flame development in nitrate ester-plasticized polyether (NEPE) propellant when exposed to rapid pressure decay. A three-dimensional NEPE propellant combustion model is firstly established to achieve this goal. The framework consists of two parts. Firstly, we used sequential algorithms to generate a 3D numerical pack satisfying industrial requirements. In the numerically generated propellant pack, Ammonium perchlorate (AP) particles, and Cyclotetramethylene tetranitramine (HMX) particles are assumed as spheres, whereas the void space is Nitroglycerin/1,2,4-Butane triol trinitrate (NG/BTTN) binder. Secondly, a new kinetic model considering the pyrolysis of condensed phase and complicated interaction of gas species in the gas phase is proposed, which has been not reported until now. The accuracy of this framework is verified via comparing with experimental results. Upon simulating the depressurization combustion of NEPE propellant, it is observed that the non-planar surface stimulates the growth of Leading-Edge Flames, leading to intensified burning during the initial stage of depressurization combustion. After 5.2 ms of depressurization combustion, a remarkable increase in bulk heat release in the gas phase is discovered, attributed to the involvement of coarse AP particles, thereby providing a conducive oxidizing burning environment. Examination of the propellant surface temperature reveals that the oxidizer/binder interface exhibits higher temperatures (∼950 K) at 3.4 MPa, while the particle core typically remains cooler (∼850 K) at pressures ranging from 1.0 to 3.5 MPa. The dynamic temperature fluctuations are a result of the heterogeneity of the propellant microstructure, which also serves as the primary cause of oscillations in several globally averaged parameters. The flickering flame behavior during transient combustion, along with the corresponding combustion characteristics, offers theoretical insights for the study of combustion instability in solid rocket motors, warranting further validation through experimental cases.
本研究旨在分析硝酸酯塑化聚醚(NEPE)推进剂在受到快速压力衰减时的微燃烧和非稳态火焰发展特征。为实现这一目标,首先建立了一个三维 NEPE 推进剂燃烧模型。该框架由两部分组成。首先,我们使用顺序算法生成满足工业要求的三维数值包。在数值生成的推进剂包中,高氯酸铵(AP)颗粒和环四亚甲基四硝胺(HMX)颗粒被假定为球体,而空隙则是硝化甘油/1,2,4-丁烷三醇三硝酸酯(NG/BTTN)粘合剂。其次,考虑到凝聚相的热解和气相中气体物种的复杂相互作用,提出了一种新的动力学模型,这是迄今为止尚未报道过的。通过与实验结果比较,验证了这一框架的准确性。在模拟 NEPE 推进剂的减压燃烧时,观察到非平面表面刺激了前缘火焰的生长,导致减压燃烧初始阶段燃烧加剧。经过 5.2 毫秒的减压燃烧后,发现气相中的散热量显著增加,这归因于粗 AP 粒子的参与,从而提供了一个有利的氧化燃烧环境。对推进剂表面温度的研究表明,在 3.4 兆帕压力下,氧化剂/粘合剂界面的温度较高(∼950 K),而在 1.0 至 3.5 兆帕压力下,颗粒核心的温度通常较低(∼850 K)。动态温度波动是推进剂微观结构的异质性造成的,这也是几个全局平均参数发生振荡的主要原因。瞬态燃烧过程中的火焰闪烁行为以及相应的燃烧特征,为固体火箭发动机燃烧不稳定性的研究提供了理论启示,值得通过实验案例进一步验证。
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Combustion and Flame
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