首页 > 最新文献

Combustion and Flame最新文献

英文 中文
The influence of MILD-to-flame transition on stabilization, reactive structures, and emissions of NH3/H2 mixtures in a semi-industrial furnace 半工业炉中轻火过渡对NH3/H2混合物稳定性、反应结构和排放的影响
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-12-03 DOI: 10.1016/j.combustflame.2025.114687
Ebrahim Rahmani , Natalia Cid , M․Mustafa Kamal , Axel Coussement , Alessandro Parente , Marco Lubrano Lavadera
Ammonia (NH₃) is a promising carbon-free fuel for decarbonizing energy systems, but its use in practical combustion systems is hindered by low flame stability and NOₓ emissions. Burning NH₃ with hydrogen (H₂) has been proposed to improve stability in conventional combustion systems; however, NOₓ emissions may persist or worsen. Moderate or Intense Low-Oxygen Dilution (MILD) combustion offers a pathway to suppress NOₓ through distributed reaction zones and reduced peak temperatures. The aim of this study is to stabilize pure NH₃ and characterize it with the H₂ addition in a semi-industrial reverse-flow furnace under MILD conditions. The experiments demonstrated the stabilization of pure NH₃ under MILD conditions without reactive enhancers, resulting in negligible NOₓ emissions but significant NH₃ slip. The impact of H₂ addition was assessed by analyzing how the transition from MILD to flame influences emissions. A transition from MILD to a lifted flame occurred at ∼14 % H₂, marked by a sharp rise in NOₓ and a steep decline in NH₃ slip. An optimal trade-off was observed at 12 % H₂, where NH₃ slip decreased from 2626 to 1336 ppm, accompanied by only a 12 ppm increase in NO, while maintaining MILD conditions. Decreasing the furnace temperature extended MILD combustion to 20 % H₂, but compared to the 12 % H₂, it caused higher NH₃ slip and only a slight reduction in NO, highlighting a trade-off between temperature control and NH₃ decomposition. The experimental findings were analyzed from a chemical kinetic viewpoint using a chemical reactor network approach. The results showed that NO reduction at H2≤20 % was dominated by thermal DeNOx, while NO formation at H₂≤80 % primarily originated from fuel-bound nitrogen. These findings advance the understanding of NH₃-H₂ MILD combustion at realistic scales and provide insight into the design of low-emission ammonia-based systems.
氨(NH₃)是一种很有前途的无碳燃料,用于脱碳能源系统,但它在实际燃烧系统中的使用受到低火焰稳定性和NOₓ排放的阻碍。人们提出用氢(H₂)燃烧NH₃来提高传统燃烧系统的稳定性;然而,NOₓ排放可能持续或恶化。中度或强烈低氧稀释(MILD)燃烧通过分布的反应区和降低峰值温度提供了抑制NOₓ的途径。本研究的目的是稳定纯NH₃,并在半工业逆流炉中在MILD条件下加氢对其进行表征。实验证明了在没有活性增强剂的MILD条件下,纯NH₃的稳定性,导致NOₓ的排放可以忽略不计,但NH₃的滑移很大。通过分析从MILD到火焰的转变对排放的影响来评估加氢的影响。从MILD到升起的火焰的转变发生在~ 14% H₂的温度下,其标志是NOₓ的急剧上升和NH₃滑移的急剧下降。在12%的H₂下观察到一个最佳的权衡,其中NH₃滑脱从2626 ppm下降到1336 ppm,同时只增加12 ppm的NO,同时保持轻度条件。降低炉子温度使轻度燃烧延长到20%的H₂,但与12%的H₂相比,它导致了更高的NH₃滑脱和NO的轻微减少,突出了温度控制和NH₃分解之间的权衡。用化学反应网络的方法从化学动力学的角度对实验结果进行了分析。结果表明:H2≤20%时NO的还原以热脱氮为主,H2≤80%时NO的生成主要来源于燃料结合氮。这些发现促进了对NH₃-H₂MILD燃烧在现实尺度上的理解,并为低排放氨基系统的设计提供了见解。
{"title":"The influence of MILD-to-flame transition on stabilization, reactive structures, and emissions of NH3/H2 mixtures in a semi-industrial furnace","authors":"Ebrahim Rahmani ,&nbsp;Natalia Cid ,&nbsp;M․Mustafa Kamal ,&nbsp;Axel Coussement ,&nbsp;Alessandro Parente ,&nbsp;Marco Lubrano Lavadera","doi":"10.1016/j.combustflame.2025.114687","DOIUrl":"10.1016/j.combustflame.2025.114687","url":null,"abstract":"<div><div>Ammonia (NH₃) is a promising carbon-free fuel for decarbonizing energy systems, but its use in practical combustion systems is hindered by low flame stability and NOₓ emissions. Burning NH₃ with hydrogen (H₂) has been proposed to improve stability in conventional combustion systems; however, NOₓ emissions may persist or worsen. Moderate or Intense Low-Oxygen Dilution (MILD) combustion offers a pathway to suppress NOₓ through distributed reaction zones and reduced peak temperatures. The aim of this study is to stabilize pure NH₃ and characterize it with the H₂ addition in a semi-industrial reverse-flow furnace under MILD conditions. The experiments demonstrated the stabilization of pure NH₃ under MILD conditions without reactive enhancers, resulting in negligible NOₓ emissions but significant NH₃ slip. The impact of H₂ addition was assessed by analyzing how the transition from MILD to flame influences emissions. A transition from MILD to a lifted flame occurred at ∼14 % H₂, marked by a sharp rise in NOₓ and a steep decline in NH₃ slip. An optimal trade-off was observed at 12 % H₂, where NH₃ slip decreased from 2626 to 1336 ppm, accompanied by only a 12 ppm increase in NO, while maintaining MILD conditions. Decreasing the furnace temperature extended MILD combustion to 20 % H₂, but compared to the 12 % H₂, it caused higher NH₃ slip and only a slight reduction in NO, highlighting a trade-off between temperature control and NH₃ decomposition. The experimental findings were analyzed from a chemical kinetic viewpoint using a chemical reactor network approach. The results showed that NO reduction at H<sub>2</sub>≤20 % was dominated by thermal DeNO<sub>x</sub>, while NO formation at H₂≤80 % primarily originated from fuel-bound nitrogen. These findings advance the understanding of NH₃-H₂ MILD combustion at realistic scales and provide insight into the design of low-emission ammonia-based systems.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114687"},"PeriodicalIF":6.2,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691366","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
Study on the explosion characteristics and mechanism of hydrogen at different concentrations inhibited by inert gases 不同浓度氢气在惰性气体抑制下的爆炸特性及机理研究
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-12-02 DOI: 10.1016/j.combustflame.2025.114658
Xiaotong Wang , Baisheng Nie , Leilei Li , Weili Wang , Cheng Zhou
Hydrogen, as an important renewable energy source, is widely used but also has the potential safety hazard of explosion. Therefore, it is of great significance to study the explosion characteristics of hydrogen and the suppression mechanisms. This paper combines experimental research and numerical simulation based on the visual explosion pipeline experimental system to study the macro-inhibition laws and micro-inhibition mechanisms of hydrogen explosions by single and composite inert gases. The results showed that as the volume fraction of inert gas increased, macro explosion parameters such as explosion pressure, pressure rise rate, and detonation index all exhibited a decreasing trend. Furthermore, the critical volume fraction ranges for single and composite inert gases to completely suppress hydrogen explosions at different concentrations were determined, with the inhibitory effects of inert gases following the order CO₂ > CO₂ + N₂ > N₂. According to Chemkin simulations, the laminar flame speed of hydrogen combustion after the addition of inert gas is positively correlated with the adiabatic temperature and thermal diffusivity, and both decrease with increasing inert gas content, consistent with the change in explosion pressure. In addition, the addition of inert gases can reduce the concentration of H2 and O2, thereby lowering the collision probability of free radicals. Since CO2 can also undergo chemical reactions (R32: CO + OH = H + CO2), it consumes H free radicals and slows down the hydrogen explosion chain reaction, making CO2 the most effective inhibitor.
氢气作为一种重要的可再生能源,用途广泛,但也存在爆炸的安全隐患。因此,研究氢气的爆炸特性和抑制机理具有重要意义。本文基于可视化爆炸管道实验系统,将实验研究与数值模拟相结合,研究了单一惰性气体和复合惰性气体对氢气爆炸的宏观抑制规律和微观抑制机理。结果表明:随着惰性气体体积分数的增加,爆炸压力、升压率、爆轰指数等宏观爆炸参数均呈减小趋势;此外,还确定了不同浓度下单一惰性气体和复合惰性气体完全抑制氢爆炸的临界体积分数范围,惰性气体的抑制效果依次为CO₂>; CO₂+ N₂> N₂。根据Chemkin模拟,加入惰性气体后氢气燃烧的层流火焰速度与绝热温度和热扩散系数呈正相关,且两者均随惰性气体含量的增加而减小,与爆炸压力的变化一致。此外,惰性气体的加入可以降低H2和O2的浓度,从而降低自由基的碰撞概率。由于CO2还可以发生化学反应(R32: CO + OH = H + CO2),它消耗H自由基,减缓氢爆炸连锁反应,使CO2成为最有效的抑制剂。
{"title":"Study on the explosion characteristics and mechanism of hydrogen at different concentrations inhibited by inert gases","authors":"Xiaotong Wang ,&nbsp;Baisheng Nie ,&nbsp;Leilei Li ,&nbsp;Weili Wang ,&nbsp;Cheng Zhou","doi":"10.1016/j.combustflame.2025.114658","DOIUrl":"10.1016/j.combustflame.2025.114658","url":null,"abstract":"<div><div>Hydrogen, as an important renewable energy source, is widely used but also has the potential safety hazard of explosion. Therefore, it is of great significance to study the explosion characteristics of hydrogen and the suppression mechanisms. This paper combines experimental research and numerical simulation based on the visual explosion pipeline experimental system to study the macro-inhibition laws and micro-inhibition mechanisms of hydrogen explosions by single and composite inert gases. The results showed that as the volume fraction of inert gas increased, macro explosion parameters such as explosion pressure, pressure rise rate, and detonation index all exhibited a decreasing trend. Furthermore, the critical volume fraction ranges for single and composite inert gases to completely suppress hydrogen explosions at different concentrations were determined, with the inhibitory effects of inert gases following the order CO₂ &gt; CO₂ + N₂ &gt; N₂. According to Chemkin simulations, the laminar flame speed of hydrogen combustion after the addition of inert gas is positively correlated with the adiabatic temperature and thermal diffusivity, and both decrease with increasing inert gas content, consistent with the change in explosion pressure. In addition, the addition of inert gases can reduce the concentration of H<sub>2</sub> and O<sub>2</sub>, thereby lowering the collision probability of free radicals. Since CO<sub>2</sub> can also undergo chemical reactions (R32: CO + OH = H + CO<sub>2</sub>), it consumes H free radicals and slows down the hydrogen explosion chain reaction, making CO<sub>2</sub> the most effective inhibitor.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114658"},"PeriodicalIF":6.2,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691270","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
Investigating dimensional effects for improved modeling of opposed-flow solid fuel combustion 研究对流动固体燃料燃烧改进模型的尺寸效应
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-12-02 DOI: 10.1016/j.combustflame.2025.114670
Ryan D. DeBoskey , Clayton M. Geipel , Brian T. Bojko , Brian T. Fisher , David A. Kessler , Ryan F. Johnson , Venkateswaran Narayanaswamy
Simplified experimental configurations, such as the opposed-flow burner (OFB), are well-suited for fundamental investigation of the coupled solid fuel decomposition and combustion processes that occur in solid fuel ramjets and hybrid rockets. However, the high oxidizer flow rates (necessary for sustaining combustion) and low fuel blowing velocity from pyrolysis that are typically observed in the OFB introduce many dimensional effects that remain largely underexamined. This study investigates a series of parametric two-dimensional axisymmetric large-eddy simulations of hydroxyl-terminated polybutadiene (HTPB) combustion in an OFB. Numerical simulations are performed at 50% and 100% oxygen composition with increasing mass flux to compare with experimental measurements. Non-uniformity at the oxidizer nozzle and fuel surface, owing to large oxidizer flow rates and proximal separation distances, is observed. The inflow velocity spreading rates are extracted and used to calibrate an improved quasi one-dimensional counterflow flame model. The resulting quasi one-dimensional model significantly improves the prediction of flame standoff (35%) and regression rate (275%) within the OFB compared to the baseline model without spread rate consideration. Results demonstrate prediction of flame structure is considerably more sensitive to spread rate than chemical kinetics mechanism or solid fuel thermophysical modeling.
Novelty and significance statement
The inflow boundary spread rates were quantified for the first time in a solid fuel opposed-flow burner using high-fidelity predictive simulations. Correcting for this phenomenon was shown to significantly improve quasi one-dimensional model accuracy with experiment, a fundamental tool for determining useful chemical kinetics and pyrolysis modeling in heterogeneous combustion. The present results (1) underscore the importance of including nonuniform inflow conditions for the accurate modeling of solid fuel diffusion flames and (2) outline a methodology for quantifying the near wall physics at the solid fuel surface.
简化的实验配置,如反流燃烧器(OFB),非常适合于固体燃料冲压发动机和混合火箭中固体燃料分解和燃烧耦合过程的基础研究。然而,通常在OFB中观察到的高氧化剂流速(维持燃烧所必需的)和低热解燃料吹速引入了许多尚未得到充分研究的维度效应。本文研究了端羟基聚丁二烯(HTPB)在OFB中燃烧的一系列参数二维轴对称大涡模拟。数值模拟在50%和100%氧成分下随质量通量的增加进行,与实验测量结果进行比较。在氧化剂喷嘴和燃料表面的不均匀性,由于大的氧化剂流量和近分离距离,观察到。提取了入流速度扩散速率,并用于标定改进的准一维逆流火焰模型。与不考虑扩散率的基线模型相比,所得到的准一维模型显著提高了OFB内火焰距离的预测(35%)和回归率(275%)。结果表明,火焰结构预测比化学动力学机制或固体燃料热物理模型对蔓延速度的敏感性要高得多。新颖性和意义声明采用高保真预测模拟,首次对固体燃料对流燃烧器的流入边界扩散速率进行了量化。对这一现象进行校正可以显著提高准一维模型的实验精度,这是确定非均相燃烧中有用的化学动力学和热解模型的基本工具。目前的结果(1)强调了包括非均匀流入条件对固体燃料扩散火焰精确建模的重要性;(2)概述了一种量化固体燃料表面近壁物理的方法。
{"title":"Investigating dimensional effects for improved modeling of opposed-flow solid fuel combustion","authors":"Ryan D. DeBoskey ,&nbsp;Clayton M. Geipel ,&nbsp;Brian T. Bojko ,&nbsp;Brian T. Fisher ,&nbsp;David A. Kessler ,&nbsp;Ryan F. Johnson ,&nbsp;Venkateswaran Narayanaswamy","doi":"10.1016/j.combustflame.2025.114670","DOIUrl":"10.1016/j.combustflame.2025.114670","url":null,"abstract":"<div><div>Simplified experimental configurations, such as the opposed-flow burner (OFB), are well-suited for fundamental investigation of the coupled solid fuel decomposition and combustion processes that occur in solid fuel ramjets and hybrid rockets. However, the high oxidizer flow rates (necessary for sustaining combustion) and low fuel blowing velocity from pyrolysis that are typically observed in the OFB introduce many dimensional effects that remain largely underexamined. This study investigates a series of parametric two-dimensional axisymmetric large-eddy simulations of hydroxyl-terminated polybutadiene (HTPB) combustion in an OFB. Numerical simulations are performed at 50% and 100% oxygen composition with increasing mass flux to compare with experimental measurements. Non-uniformity at the oxidizer nozzle and fuel surface, owing to large oxidizer flow rates and proximal separation distances, is observed. The inflow velocity spreading rates are extracted and used to calibrate an improved quasi one-dimensional counterflow flame model. The resulting quasi one-dimensional model significantly improves the prediction of flame standoff (35%) and regression rate (275%) within the OFB compared to the baseline model without spread rate consideration. Results demonstrate prediction of flame structure is considerably more sensitive to spread rate than chemical kinetics mechanism or solid fuel thermophysical modeling.</div><div><strong>Novelty and significance statement</strong></div><div>The inflow boundary spread rates were quantified for the first time in a solid fuel opposed-flow burner using high-fidelity predictive simulations. Correcting for this phenomenon was shown to significantly improve quasi one-dimensional model accuracy with experiment, a fundamental tool for determining useful chemical kinetics and pyrolysis modeling in heterogeneous combustion. The present results (1) underscore the importance of including nonuniform inflow conditions for the accurate modeling of solid fuel diffusion flames and (2) outline a methodology for quantifying the near wall physics at the solid fuel surface.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114670"},"PeriodicalIF":6.2,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691269","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
Linear analysis of thermo-diffusive instability from edge flames to fully-premixed laminar flames with a wide range of Damköhler number and Lewis number greater than unity 从边缘火焰到全预混层流火焰(Damköhler数和Lewis数大于1)的热扩散不稳定性线性分析
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-12-02 DOI: 10.1016/j.combustflame.2025.114694
David Bhatt, Daniel Rodríguez
A model problem for thermo-diffusive instabilities on planar laminar flames is considered, which studies flames stabilized in the proximity of a cold burner in a co-flow mixing layer between fuel and oxidizer streams. It accounts for the driving mechanisms for the onset of thermo-diffusive instability, but assumes constant density and neglects flow or pressure gradients. A premixedness parameter characterizes the transverse gradient of the mixture fraction at the upstream boundary. By varying the premixedness parameter from zero to unity, different flame structures are recovered covering the complete spectrum from non-premixed edge flames to fully-premixed planar flames, through partially-premixed triple flames. A modal linear stability analysis is presented. The equations governing small-amplitude flame fluctuations are recast as an eigenvalue problem, in which the eigenfunctions describe two-dimensional flow field variables with arbitrary spatial dependence, and the eigenvalues describe the oscillation frequency and temporal growth rate. For all partially-premixed flames, a pair of complex eigenvalues are found, corresponding to upstream–downstream pulsations of the flame leading edge. These eigenmodes are unstable for a bounded region in the Premixedness-Damköhler space. Fully-premixed flames present multiple pairs of unstable eigenmodes; the most unstable pair corresponds to an upstream–downstream oscillation of the flame without distortion along the transverse direction, while the subsequent ones describe wavy deformations of the flame structure consistent with the formation of cellular patterns. The predictions of the linear stability analysis compare well with results from nonlinear simulations.
Novelty and significance statement
A novel methodology is presented for the instability analysis of laminar flames that considers linear eigenmodes with arbitrary dependence on two spatial directions. The computationally-inexpensive approach allows to perform vast parametric studies of the influence of the physical parameters, thus providing new physical insights. Here, it is applied to a model problem for thermo-diffusive instability, that allows studying the complete range of flames possible in a co-flow configuration in a unified set up. A wide range of Damköhler numbers a premixedness parameters are analyzed and the instability maps are reported, which is a novelty in the literature. The methodology proposed can be directly applied to other 2D configurations and can incorporate more complex phenomena like the coupling between the thermodiffusive instability and flow and pressure gradients, and differential diffusivity.
考虑了平面层流火焰的热扩散不稳定性模型问题,该模型研究了在燃料流和氧化剂流共流混合层中靠近冷燃烧器稳定的火焰。它解释了热扩散不稳定性发生的驱动机制,但假设密度恒定,忽略了流量或压力梯度。预混性参数表征了混合分数在上游边界处的横向梯度。通过将预混性参数从0变化到1,恢复了从非预混边缘火焰到完全预混平面火焰,再到部分预混三重火焰的全谱火焰结构。给出了一种模态线性稳定性分析方法。本文将控制火焰小幅度波动的方程转化为特征值问题,其中特征函数描述具有任意空间依赖性的二维流场变量,特征值描述振荡频率和时间增长率。对于所有的部分预混火焰,发现了一对复特征值,对应于火焰前缘的上下游脉动。这些特征模态对于Premixedness-Damköhler空间中的有界区域是不稳定的。全预混火焰存在多对不稳定特征模态;最不稳定的对对应于火焰沿横向方向的上游-下游振荡,而随后的对描述了火焰结构的波浪形变形,与细胞图案的形成一致。线性稳定性分析的预测结果与非线性模拟的结果比较好。提出了一种新的层流火焰不稳定性分析方法,该方法考虑了任意依赖于两个空间方向的线性特征模态。计算成本低廉的方法允许对物理参数的影响进行大量参数研究,从而提供新的物理见解。在这里,它被应用于热扩散不稳定性的模型问题,它允许研究在统一设置的共流配置中可能的火焰的完整范围。分析了大范围的Damköhler数和预混参数,并报道了不稳定性图,这在文献中是新颖的。所提出的方法可以直接应用于其他二维结构,并可以纳入更复杂的现象,如热扩散不稳定性与流量和压力梯度之间的耦合,以及微分扩散率。
{"title":"Linear analysis of thermo-diffusive instability from edge flames to fully-premixed laminar flames with a wide range of Damköhler number and Lewis number greater than unity","authors":"David Bhatt,&nbsp;Daniel Rodríguez","doi":"10.1016/j.combustflame.2025.114694","DOIUrl":"10.1016/j.combustflame.2025.114694","url":null,"abstract":"<div><div>A model problem for thermo-diffusive instabilities on planar laminar flames is considered, which studies flames stabilized in the proximity of a cold burner in a co-flow mixing layer between fuel and oxidizer streams. It accounts for the driving mechanisms for the onset of thermo-diffusive instability, but assumes constant density and neglects flow or pressure gradients. A premixedness parameter characterizes the transverse gradient of the mixture fraction at the upstream boundary. By varying the premixedness parameter from zero to unity, different flame structures are recovered covering the complete spectrum from non-premixed edge flames to fully-premixed planar flames, through partially-premixed triple flames. A modal linear stability analysis is presented. The equations governing small-amplitude flame fluctuations are recast as an eigenvalue problem, in which the eigenfunctions describe two-dimensional flow field variables with arbitrary spatial dependence, and the eigenvalues describe the oscillation frequency and temporal growth rate. For all partially-premixed flames, a pair of complex eigenvalues are found, corresponding to upstream–downstream pulsations of the flame leading edge. These eigenmodes are unstable for a bounded region in the Premixedness-Damköhler space. Fully-premixed flames present multiple pairs of unstable eigenmodes; the most unstable pair corresponds to an upstream–downstream oscillation of the flame without distortion along the transverse direction, while the subsequent ones describe wavy deformations of the flame structure consistent with the formation of cellular patterns. The predictions of the linear stability analysis compare well with results from nonlinear simulations.</div><div>Novelty and significance statement</div><div>A novel methodology is presented for the instability analysis of laminar flames that considers linear eigenmodes with arbitrary dependence on two spatial directions. The computationally-inexpensive approach allows to perform vast parametric studies of the influence of the physical parameters, thus providing new physical insights. Here, it is applied to a model problem for thermo-diffusive instability, that allows studying the complete range of flames possible in a co-flow configuration in a unified set up. A wide range of Damköhler numbers a premixedness parameters are analyzed and the instability maps are reported, which is a novelty in the literature. The methodology proposed can be directly applied to other 2D configurations and can incorporate more complex phenomena like the coupling between the thermodiffusive instability and flow and pressure gradients, and differential diffusivity.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114694"},"PeriodicalIF":6.2,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691268","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
A novel combinatorial approach to evaluate the ignition and combustion performance of aluminum powders alloyed with other elements 一种评价其他元素合金铝粉点火和燃烧性能的新组合方法
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-12-01 DOI: 10.1016/j.combustflame.2025.114640
John Fite , Michael Flickinger , John Carbo , Anthony Megalla , Isaiah Queen , Michael Kruppa , Preetom Borah , Megan Bokhoor , Milad Alemohammad , Colin Goodman , Mark Foster , John Slotwinski , Timothy P. Weihs
Promptly neutralizing stockpiles of bio- and chem-agents without dispersing them depends in part on tailoring the ignition and combustion performance of reactive metal powders through alloying. Careful selection of chemistry can enhance heat release and nano oxide production. However, the prodigious alloy design space necessitates high-throughput experimental techniques for systematic alloy screening. This work demonstrates a novel combinatorial approach that uses physical vapor deposition to fabricate Al-Zr and (Al 8 at% Mg)-Zr powders with well controlled volumes and microstructures and compositions ranging from zero to 23 at% Zr. The microscale powders ignite in air above 14 at% Zr, and their ignition temperatures decrease linearly as more Zr is added. Oxidation and combustion vary nonlinearly with Zr content, showing dramatic increases in the degree of oxidation and the number of hot particles above 19–20 at% Zr. The addition of 8 at% Mg is found to aid both ignition and combustion.
迅速中和储存的生物和化学试剂而不分散它们,部分取决于通过合金化调整活性金属粉末的点火和燃烧性能。精心选择的化学物质可以提高热量释放和纳米氧化物的生产。然而,巨大的合金设计空间需要高通量实验技术进行系统的合金筛选。这项工作展示了一种新的组合方法,使用物理气相沉积来制造Al-Zr和(Al 8)-Zr粉末,具有良好控制的体积和微观结构,成分范围从0到23在% Zr。当Zr含量高于14 %时,微粉在空气中着火,随着Zr含量的增加,其着火温度呈线性降低。氧化和燃烧随Zr含量呈非线性变化,在% Zr时,氧化程度和热颗粒数量在19-20以上显著增加。发现在% Mg时添加8有助于点火和燃烧。
{"title":"A novel combinatorial approach to evaluate the ignition and combustion performance of aluminum powders alloyed with other elements","authors":"John Fite ,&nbsp;Michael Flickinger ,&nbsp;John Carbo ,&nbsp;Anthony Megalla ,&nbsp;Isaiah Queen ,&nbsp;Michael Kruppa ,&nbsp;Preetom Borah ,&nbsp;Megan Bokhoor ,&nbsp;Milad Alemohammad ,&nbsp;Colin Goodman ,&nbsp;Mark Foster ,&nbsp;John Slotwinski ,&nbsp;Timothy P. Weihs","doi":"10.1016/j.combustflame.2025.114640","DOIUrl":"10.1016/j.combustflame.2025.114640","url":null,"abstract":"<div><div>Promptly neutralizing stockpiles of bio- and chem-agents without dispersing them depends in part on tailoring the ignition and combustion performance of reactive metal powders through alloying. Careful selection of chemistry can enhance heat release and nano oxide production. However, the prodigious alloy design space necessitates high-throughput experimental techniques for systematic alloy screening. This work demonstrates a novel combinatorial approach that uses physical vapor deposition to fabricate Al-Zr and (Al 8 at% Mg)-Zr powders with well controlled volumes and microstructures and compositions ranging from zero to 23 at% Zr. The microscale powders ignite in air above 14 at% Zr, and their ignition temperatures decrease linearly as more Zr is added. Oxidation and combustion vary nonlinearly with Zr content, showing dramatic increases in the degree of oxidation and the number of hot particles above 19–20 at% Zr. The addition of 8 at% Mg is found to aid both ignition and combustion.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114640"},"PeriodicalIF":6.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691271","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
Synergistic suppression of magnesium dust explosions by montmorillonite/ammonium polyphosphate composites: Experimental and kinetic modeling insights 蒙脱土/聚磷酸铵复合材料协同抑制镁粉尘爆炸:实验和动力学建模见解
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-30 DOI: 10.1016/j.combustflame.2025.114667
Dongyang Qiu , Mohammad Zaid Kamil , Mohammad Alauddin , Lijuan Liu , Xianfeng Chen , Chuyuan Huang , Paul Amyotte
Magnesium (Mg) dust in metal processing and energy settings exhibits high explosion sensitivity and strong destructiveness, readily triggering cascading accidents. To precisely control this risk, this study mechanochemically prepared montmorillonite (MMT) and ammonium polyphosphate (APP) composite inhibitors, established a vertical combustion duct platform, evaluated its suppression efficacy for Mg dust explosions, and combined residue characterization, thermal analysis, and Chemkin simulations to elucidate the synergistic suppression mechanism. The MMT/APP composite outperformed single components; at an inerting ratio (α) = 1.25, the 1:1 formulation fragmented the flame, prevented the formation of a continuous front, and self-extinguished at mid-duct. Relative to pure Mg dust, the maximum flame velocity (Vmax) decreased by 91.5%; the peak flame front pressure (Pmax) and the maximum rate of pressure rise ((dP/dt)max) were reduced by 97.6% and 98.0%, respectively; and the peak temperature (Tp) fell to 236°C. Mechanistically, MMT provides endothermy alongside heat and mass transfer shielding. At elevated temperature, MMT forms refractory SiO2 and Al2O3 phases and lamellae that suppress O2 diffusion and interparticle heat conduction. Gas phase reaction kinetics simulations indicate that APP decomposes endothermically to generate nitrogen and phosphorus-containing intermediates that markedly deplete the O radical, manifested as rapid chain termination along the nitrogen pathway and sustained suppression along the phosphorus pathway. This study provides quantitative guidance for the formulation of efficient Mg dust inhibitors and supports improvements in the inherent safety of Mg processing.
金属加工和能源环境中的镁粉尘具有较高的爆炸敏感性和较强的破坏性,容易引发级联事故。为了精确控制这一风险,本研究采用机械化学方法制备蒙脱土(MMT)和聚磷酸铵(APP)复合抑制剂,建立垂直燃烧管道平台,评估其对Mg粉尘爆炸的抑制效果,并结合残留物表征、热分析和Chemkin模拟来阐明协同抑制机理。MMT/APP复合材料表现优于单一组分;在惯性比(α) = 1.25时,1:1配方使火焰破碎,阻止了连续锋面的形成,并在中间风道处自行熄灭。与纯Mg粉尘相比,最大火焰速度(Vmax)降低了91.5%;火焰峰前压力(Pmax)和最大升压率(dP/dt)max分别降低了97.6%和98.0%;峰值温度(Tp)降至236℃。在机械上,MMT提供吸热和传热传质屏蔽。在高温下,MMT形成耐火SiO2和Al2O3相和片层,抑制O2扩散和颗粒间热传导。气相反应动力学模拟表明,APP吸热分解生成含氮和含磷中间体,显著消耗O自由基,表现为沿氮途径的快速链终止和沿磷途径的持续抑制。该研究为有效的Mg粉尘抑制剂的配方提供了定量指导,并支持提高Mg加工的固有安全性。
{"title":"Synergistic suppression of magnesium dust explosions by montmorillonite/ammonium polyphosphate composites: Experimental and kinetic modeling insights","authors":"Dongyang Qiu ,&nbsp;Mohammad Zaid Kamil ,&nbsp;Mohammad Alauddin ,&nbsp;Lijuan Liu ,&nbsp;Xianfeng Chen ,&nbsp;Chuyuan Huang ,&nbsp;Paul Amyotte","doi":"10.1016/j.combustflame.2025.114667","DOIUrl":"10.1016/j.combustflame.2025.114667","url":null,"abstract":"<div><div>Magnesium (Mg) dust in metal processing and energy settings exhibits high explosion sensitivity and strong destructiveness, readily triggering cascading accidents. To precisely control this risk, this study mechanochemically prepared montmorillonite (MMT) and ammonium polyphosphate (APP) composite inhibitors, established a vertical combustion duct platform, evaluated its suppression efficacy for Mg dust explosions, and combined residue characterization, thermal analysis, and Chemkin simulations to elucidate the synergistic suppression mechanism. The MMT/APP composite outperformed single components; at an inerting ratio (α) = 1.25, the 1:1 formulation fragmented the flame, prevented the formation of a continuous front, and self-extinguished at mid-duct. Relative to pure Mg dust, the maximum flame velocity (<em>V</em><sub>max</sub>) decreased by 91.5%; the peak flame front pressure (<em>P</em><sub>max</sub>) and the maximum rate of pressure rise ((<em>dP</em>/<em>dt</em>)<sub>max</sub>) were reduced by 97.6% and 98.0%, respectively; and the peak temperature (<em>T</em><sub>p</sub>) fell to 236°C. Mechanistically, MMT provides endothermy alongside heat and mass transfer shielding. At elevated temperature, MMT forms refractory SiO<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub> phases and lamellae that suppress O<sub>2</sub> diffusion and interparticle heat conduction. Gas phase reaction kinetics simulations indicate that APP decomposes endothermically to generate nitrogen and phosphorus-containing intermediates that markedly deplete the O radical, manifested as rapid chain termination along the nitrogen pathway and sustained suppression along the phosphorus pathway. This study provides quantitative guidance for the formulation of efficient Mg dust inhibitors and supports improvements in the inherent safety of Mg processing.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114667"},"PeriodicalIF":6.2,"publicationDate":"2025-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691307","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
Dielectric interface modification enables low-power microwave ignition of aluminum particles: Mechanisms and combustion performance evaluation 介电界面改性使铝颗粒的低功率微波点火:机理和燃烧性能评价
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-30 DOI: 10.1016/j.combustflame.2025.114657
Xiaoyuan Chen , Xi Chen , Bin Zhang , Tuan Zhao , Jia Zhao , Kangzhen Xu , Suhang Chen
Microwave ignition technology holds transformative potential in multi-point simultaneous uniform ignition for propulsion systems and energy conversion, attributable to its non-intrusive energy delivery and rapid response characteristics, yet it faces challenges in igniting metallic fuels like aluminum (Al) particles inert to microwaves. To address this critical problem of microwave energy coupling inefficiency in Al, interfacial layers of PF (C8H12ClNO2 and CF3(CF2)7CH2CH2SH) and APTES (C9H23NO3Si) were constructed to introduce chemical bonding and electrostatic adsorption on the Al surface, followed by inducing CUFO (CuFe2O4) dielectric interface anchoring and forming Al@PF@CUFO and Al@APTES@CUFO. This construction of core/shell not only shortens the mass and heat transfer distance but also enhances the interfacial polarization, leading to a strong response to microwaves. Microwave ignition analysis indicates that Al@APTES@CUFO (23.41 ms) exhibits a shorter ignition delay time compared to Al@PF@CUFO (29.51 ms), which can be attributed to the superior bridging capability and rapid decomposition of APTES. APTES not only shortens mass and heat transfer pathways but also facilitates rapid microwave energy absorption by Al/CUFO under microwave irradiation, generating localized hotspots and accelerating the ignition reaction kinetics. Furthermore, Al@PF@CUFO reveals a 327% increase in combustion rate compared to Al@APTES@CUFO, attributed to the fluorination reaction induced by PF decomposition and carbon catalysis derived from the decomposition of PDA. These findings establish dielectric interface engineering as a paradigm-shifting approach to overcome microwave ignition barriers in metallic fuels, with implications for next-generation microwave-controlled solid propellants, pyrotechnics, explosives, etc.
微波点火技术由于其非侵入式能量传递和快速响应特性,在推进系统和能量转换的多点同步均匀点火方面具有变革潜力,但在点燃对微波惰性的铝(Al)颗粒等金属燃料方面面临挑战。为了解决Al中微波能量耦合效率低的关键问题,构建了PF (C8H12ClNO2和CF3(CF2)7CH2CH2SH)和APTES (C9H23NO3Si)界面层,在Al表面引入化学键和静电吸附,诱导CUFO (CuFe2O4)介电界面锚定,形成Al@PF@CUFO和Al@APTES@CUFO。这种核/壳结构不仅缩短了传质和传热距离,而且增强了界面极化,使其对微波的响应更强。微波点火分析表明,Al@APTES@CUFO (23.41 ms)比Al@PF@CUFO (29.51 ms)具有更短的点火延迟时间,这可归因于APTES优越的桥接能力和快速分解。APTES不仅缩短了Al/CUFO在微波照射下的传质和传热途径,而且促进了Al/CUFO对微波能量的快速吸收,产生局部热点,加速了引燃反应动力学。此外,Al@PF@CUFO显示,与Al@APTES@CUFO相比,燃烧速率增加了327%,这是由于PF分解引起的氟化反应和PDA分解产生的碳催化作用。这些发现确立了介电界面工程作为克服金属燃料微波点火障碍的一种范式转换方法,对下一代微波控制固体推进剂、烟火、炸药等具有重要意义。
{"title":"Dielectric interface modification enables low-power microwave ignition of aluminum particles: Mechanisms and combustion performance evaluation","authors":"Xiaoyuan Chen ,&nbsp;Xi Chen ,&nbsp;Bin Zhang ,&nbsp;Tuan Zhao ,&nbsp;Jia Zhao ,&nbsp;Kangzhen Xu ,&nbsp;Suhang Chen","doi":"10.1016/j.combustflame.2025.114657","DOIUrl":"10.1016/j.combustflame.2025.114657","url":null,"abstract":"<div><div>Microwave ignition technology holds transformative potential in multi-point simultaneous uniform ignition for propulsion systems and energy conversion, attributable to its non-intrusive energy delivery and rapid response characteristics, yet it faces challenges in igniting metallic fuels like aluminum (Al) particles inert to microwaves. To address this critical problem of microwave energy coupling inefficiency in Al, interfacial layers of PF (C<sub>8</sub>H<sub>12</sub>ClNO<sub>2</sub> and CF<sub>3</sub>(CF<sub>2</sub>)<sub>7</sub>CH<sub>2</sub>CH<sub>2</sub>SH) and APTES (C<sub>9</sub>H<sub>23</sub>NO<sub>3</sub>Si) were constructed to introduce chemical bonding and electrostatic adsorption on the Al surface, followed by inducing CUFO (CuFe<sub>2</sub>O<sub>4</sub>) dielectric interface anchoring and forming Al@PF@CUFO and Al@APTES@CUFO. This construction of core/shell not only shortens the mass and heat transfer distance but also enhances the interfacial polarization, leading to a strong response to microwaves. Microwave ignition analysis indicates that Al@APTES@CUFO (23.41 ms) exhibits a shorter ignition delay time compared to Al@PF@CUFO (29.51 ms), which can be attributed to the superior bridging capability and rapid decomposition of APTES. APTES not only shortens mass and heat transfer pathways but also facilitates rapid microwave energy absorption by Al/CUFO under microwave irradiation, generating localized hotspots and accelerating the ignition reaction kinetics. Furthermore, Al@PF@CUFO reveals a 327% increase in combustion rate compared to Al@APTES@CUFO, attributed to the fluorination reaction induced by PF decomposition and carbon catalysis derived from the decomposition of PDA. These findings establish dielectric interface engineering as a paradigm-shifting approach to overcome microwave ignition barriers in metallic fuels, with implications for next-generation microwave-controlled solid propellants, pyrotechnics, explosives, etc.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114657"},"PeriodicalIF":6.2,"publicationDate":"2025-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691304","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
On the use of a sensitivity-enhanced algorithm to quantify sooting dynamics in droplet combustion of highly sooty fuels 基于灵敏度增强算法的高煤烟燃料液滴燃烧烟气动力学定量研究
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-29 DOI: 10.1016/j.combustflame.2025.114668
Minghui Xu , Xi Liu , Michael C. Hicks , C. Thomas Avedisian , Yuhao Xu
This paper describes a sensitivity-based algorithm for extracting the soot volume fraction (SVF, fv) from digital video images of organic liquid droplets burning under conditions that promote spherically symmetric gas transport. The algorithm was applied for the first time to digital video images of n-propylbenzene (nP) droplets with initial diameters (D0) ranging from 2.1 mm to 5.8 mm. The SVF was obtained by measuring the intensity of light along rays-of-interest (ROIs) through a droplet’s center on the images. A “greedy algorithm” was employed to calculate the dynamic Coefficient of Variation to optimize the number of ROIs and thus enhance the repeatability and accuracy of SVF data. These data analysis efforts revealed many new physical insights into the sooting dynamics of a heavily sooty fuel, nP. The results showed that fv increased with time for a given D0, reached a maximum (fv, max), then decreased. Also, fv, max coincided with the measured soot shell location. The actual mass of soot formed as a function of time followed this same trend, increasing first because of fuel pyrolysis and then decreasing because of oxidation. While the peak value of fv, max over the entire duration of a burn (f *v, max) decreased with increasing D0, the maximum mass of soot (ms, max) itself increased linearly with D02.
本文提出了一种基于灵敏度的有机液滴在促进球对称气体传输条件下燃烧的数字视频图像中烟灰体积分数(SVF, fv)提取算法。该算法首次应用于初始直径(D0)为2.1 ~ 5.8 mm的n-丙基苯(nP)液滴的数字视频图像。通过测量沿感兴趣射线(roi)的光强度,通过液滴的中心在图像上获得SVF。采用“贪心算法”计算动态变异系数,优化roi个数,提高SVF数据的重复性和准确性。这些数据分析工作揭示了许多新的物理见解,以烟尘重燃料nP的烟尘动力学。结果表明:在一定的D0条件下,fv随时间增加,达到最大值(fv, max)后减小;fv, max与实测烟尘壳位置吻合。实际形成的烟灰质量随时间的变化遵循同样的趋势,首先由于燃料热解而增加,然后由于氧化而减少。在整个燃烧过程中fv, max的峰值(f *v, max)随着D0的增加而降低,而最大烟灰质量(ms, max)本身则随着D02的增加而线性增加。
{"title":"On the use of a sensitivity-enhanced algorithm to quantify sooting dynamics in droplet combustion of highly sooty fuels","authors":"Minghui Xu ,&nbsp;Xi Liu ,&nbsp;Michael C. Hicks ,&nbsp;C. Thomas Avedisian ,&nbsp;Yuhao Xu","doi":"10.1016/j.combustflame.2025.114668","DOIUrl":"10.1016/j.combustflame.2025.114668","url":null,"abstract":"<div><div>This paper describes a sensitivity-based algorithm for extracting the soot volume fraction (SVF, <em>f<sub>v</sub></em>) from digital video images of organic liquid droplets burning under conditions that promote spherically symmetric gas transport. The algorithm was applied for the first time to digital video images of <em>n</em>-propylbenzene (<em>n</em>P) droplets with initial diameters (<em>D<sub>0</sub></em>) ranging from 2.1 mm to 5.8 mm. The SVF was obtained by measuring the intensity of light along rays-of-interest (ROIs) through a droplet’s center on the images. A “greedy algorithm” was employed to calculate the dynamic Coefficient of Variation to optimize the number of ROIs and thus enhance the repeatability and accuracy of SVF data. These data analysis efforts revealed many new physical insights into the sooting dynamics of a heavily sooty fuel, <em>n</em>P. The results showed that <em>f<sub>v</sub></em> increased with time for a given <em>D<sub>0</sub></em>, reached a maximum (<em>f<sub>v,</sub></em> <sub>max</sub>), then decreased. Also, <em>f<sub>v,</sub></em> <sub>max</sub> coincided with the measured soot shell location. The actual mass of soot formed as a function of time followed this same trend, increasing first because of fuel pyrolysis and then decreasing because of oxidation. While the peak value of <em>f<sub>v,</sub></em> <sub>max</sub> over the entire duration of a burn (<em>f *<sub>v,</sub></em> <sub>max</sub>) decreased with increasing <em>D<sub>0</sub></em>, the maximum mass of soot (<em>m<sub>s,</sub></em> <sub>max</sub>) itself increased linearly with <em>D<sub>0</sub><sup>2</sup></em>.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114668"},"PeriodicalIF":6.2,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621517","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
Ignition and combustion characteristics of cyclopentanone and cyclopentanone/gasoline blends: An experimental and modeling study 环戊酮和环戊酮/汽油混合物的点火和燃烧特性:实验和模型研究
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-29 DOI: 10.1016/j.combustflame.2025.114647
Jiaqi Zhang , Florian vom Lehn , Sascha Jacobs , Raik Hesse , Joachim Beeckmann , Xudong Wu , Karl Alexander Heufer , Heinz Pitsch , Liming Cai
This paper presents an experimental and numerical study on the ignition and combustion characteristics of the novel biofuel cyclopentanone and its blends with RON95E10 gasoline fuel at a volumetric blending ratio of 50%. The characterized research grade gasoline fuel RON95E10 is modeled by a dedicated surrogate defined in a previous study. Ignition delay times of cyclopentanone and the blends were measured in a shock tube and a rapid compression machine, while their laminar burning velocities were investigated in a combustion vessel. All measurements cover a large variety of initial conditions and are of value for kinetic model development and validation. A detailed kinetic model is derived to describe the oxidation of cyclopentanone and its blends with gasoline at both low and high temperatures, which shows good agreement with the present datasets. In order to understand the underlying oxidation chemistry of cyclopentanone, reaction pathway and sensitivity analyses are performed by using the proposed kinetic model. The favorable H-abstraction site of cyclopentanone is at the β carbon, owing to the presence of the carbonyl group. The dominance of chain-terminating HO2-elimination reflects the weak low-temperature reactivity of cyclopentanone as a fuel. An additional key focus of this study is to explore the blending effect of cyclopentanone on gasoline. Results demonstrate that both chemical kinetic and physical dilution impacts are responsible for the ignition suppression at low to intermediate temperatures when adding cyclopentanone. The kinetic effect is mainly attributed to the fact that cyclopentanone scavenges OH radicals produced by gasoline surrogates. At high temperatures, the ignition delay times of cyclopentanone/gasoline blends are mainly affected by the chemistry of cyclopentanone.
Novelty and significance statement
This work is of particular significance due to the potential of cyclopentanone as a novel biofuel and it is a pioneering study focusing on the combustion of its blends with conventional gasoline fuels. The ignition delay times and laminar burning velocities of cyclopentanone and cyclopentanone/gasoline blends at specific experimental conditions are reported for the first time. A comprehensive kinetic model is developed for both low- and high-temperature oxidation of cyclopentanone/gasoline blends with high predictive accuracy, which is missing in the literature. This work reveals the strong interaction between gasoline and cyclopentanone in terms of auto-ignition at low temperatures and provides further evidence on the OH-scavenging effect. Both chemical kinetic and physical dilution impacts are quantified. The results of this work offer new insights into the ignition and combustion behaviors of cyclopentanone/gasoline blends, which is of importance for future engine optimization.
本文对新型生物燃料环戊酮及其与RON95E10汽油燃料在体积掺合比为50%时的点火燃烧特性进行了实验和数值研究。表征的研究级汽油燃料RON95E10由先前研究中定义的专用代理进行建模。在激波管和快速压缩机上测量了环戊酮及其共混物的点火延迟时间,并在燃烧容器中研究了它们的层流燃烧速度。所有的测量都涵盖了各种各样的初始条件,对动力学模型的开发和验证有价值。推导了环戊酮及其混合物在低温和高温下与汽油氧化的详细动力学模型,该模型与现有数据吻合较好。为了了解环戊酮的潜在氧化化学,利用所建立的动力学模型进行了反应途径和敏感性分析。由于羰基的存在,环戊酮的有利吸氢位点在β碳上。链端ho2消除的优势反映了环戊酮作为燃料的低温反应性较弱。本研究的另一个重点是探索环戊酮对汽油的混合效果。结果表明,加入环戊酮时,化学动力学和物理稀释的影响是低温至中温下抑制着火的主要原因。动力学效应主要是由于环戊酮清除了汽油替代物产生的OH自由基。在高温下,环戊酮/汽油共混物的延迟点火时间主要受环戊酮化学性质的影响。新颖性和重要性声明:由于环戊酮作为一种新型生物燃料的潜力,这项工作具有特别的意义,它是一项开创性的研究,重点是将其与传统汽油燃料混合燃烧。首次报道了环戊酮和环戊酮/汽油共混物在特定实验条件下的点火延迟时间和层流燃烧速度。建立了环戊酮/汽油混合物低温和高温氧化的综合动力学模型,具有较高的预测精度,这在文献中是缺失的。这项工作揭示了汽油和环戊酮在低温下的自燃方面的强相互作用,为清除oh的作用提供了进一步的证据。对化学动力学和物理稀释影响进行了量化。本研究结果为环戊酮/汽油混合物的点火和燃烧行为提供了新的见解,这对未来发动机的优化具有重要意义。
{"title":"Ignition and combustion characteristics of cyclopentanone and cyclopentanone/gasoline blends: An experimental and modeling study","authors":"Jiaqi Zhang ,&nbsp;Florian vom Lehn ,&nbsp;Sascha Jacobs ,&nbsp;Raik Hesse ,&nbsp;Joachim Beeckmann ,&nbsp;Xudong Wu ,&nbsp;Karl Alexander Heufer ,&nbsp;Heinz Pitsch ,&nbsp;Liming Cai","doi":"10.1016/j.combustflame.2025.114647","DOIUrl":"10.1016/j.combustflame.2025.114647","url":null,"abstract":"<div><div>This paper presents an experimental and numerical study on the ignition and combustion characteristics of the novel biofuel cyclopentanone and its blends with RON95E10 gasoline fuel at a volumetric blending ratio of 50%. The characterized research grade gasoline fuel RON95E10 is modeled by a dedicated surrogate defined in a previous study. Ignition delay times of cyclopentanone and the blends were measured in a shock tube and a rapid compression machine, while their laminar burning velocities were investigated in a combustion vessel. All measurements cover a large variety of initial conditions and are of value for kinetic model development and validation. A detailed kinetic model is derived to describe the oxidation of cyclopentanone and its blends with gasoline at both low and high temperatures, which shows good agreement with the present datasets. In order to understand the underlying oxidation chemistry of cyclopentanone, reaction pathway and sensitivity analyses are performed by using the proposed kinetic model. The favorable H-abstraction site of cyclopentanone is at the <span><math><mi>β</mi></math></span> carbon, owing to the presence of the carbonyl group. The dominance of chain-terminating HO<sub>2</sub>-elimination reflects the weak low-temperature reactivity of cyclopentanone as a fuel. An additional key focus of this study is to explore the blending effect of cyclopentanone on gasoline. Results demonstrate that both chemical kinetic and physical dilution impacts are responsible for the ignition suppression at low to intermediate temperatures when adding cyclopentanone. The kinetic effect is mainly attributed to the fact that cyclopentanone scavenges OH radicals produced by gasoline surrogates. At high temperatures, the ignition delay times of cyclopentanone/gasoline blends are mainly affected by the chemistry of cyclopentanone.</div><div><strong>Novelty and significance statement</strong></div><div>This work is of particular significance due to the potential of cyclopentanone as a novel biofuel and it is a pioneering study focusing on the combustion of its blends with conventional gasoline fuels. The ignition delay times and laminar burning velocities of cyclopentanone and cyclopentanone/gasoline blends at specific experimental conditions are reported for the first time. A comprehensive kinetic model is developed for both low- and high-temperature oxidation of cyclopentanone/gasoline blends with high predictive accuracy, which is missing in the literature. This work reveals the strong interaction between gasoline and cyclopentanone in terms of auto-ignition at low temperatures and provides further evidence on the OH-scavenging effect. Both chemical kinetic and physical dilution impacts are quantified. The results of this work offer new insights into the ignition and combustion behaviors of cyclopentanone/gasoline blends, which is of importance for future engine optimization.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114647"},"PeriodicalIF":6.2,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621520","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
Differential diffusion effects in a lean-premixed bluff-body stabilized hydrogen flame 贫预混崖体稳定氢火焰的微分扩散效应
IF 6.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-29 DOI: 10.1016/j.combustflame.2025.114682
Weiyue Liu, W.P. Jones
<div><div>This paper describes the results of compressible large eddy simulations, with the Stochastic Fields method, of a lean-premixed bluff-body hydrogen flame. Both the LES isothermal and the reacting fields show good agreement with the measurements, revealing the capability of the Stochastic Fields method in bluff-body hydrogen flames. For the reacting field, two diffusive transport models, the constant Schmidt/Prandtl number approximation and mixture-averaged diffusion transport are implemented independently to isolate the effects of differential diffusion on species concentrations and temperature. The mixture-averaged diffusion transport model performs better than the constant Schmidt/Prandtl in terms of mean flame shape. Mixture-averaged diffusion results in local enrichment of the flame root, higher heat release rates, temperatures, fuel consumption rates and more diffused species profiles. High-temperature burnt gas in the recirculation zone elevates the significance of molecular diffusion, related to possible re-laminarization. The results reveal the importance of the inclusion of accurate molecular diffusive transport for hydrogen flames in lean-premixed bluff-body stabilized flames. DMD analysis suggests that both diffusion methods can recover the significant dynamic behaviour of the reacting flow system. Some physical-space differences between the two approaches are also shown in terms of their DMD modes.</div><div><strong>Novelty and Significance Statement</strong></div><div>The present work describes an LES study of the effect of differential diffusion on the hydrogen lean-premixed flames. The effect is isolated by comparing LES results obtained with two molecular diffusive transport models; the constant Schmidt/Prandtl number approximation and the mixture-averaged diffusion transport model applied to a bluff-body stabilized hydrogen flame. The solutions from the two diffusion transport methods are compared and analysed regarding flow field and flame characteristics. Dynamic mode decomposition is applied for further analysis. The results highlight the importance of including the differential diffusion effects in lean bluff-body stabilized hydrogen flames. The result is likely to helpful in the simulation of a wide range of hydrogen flame applications.</div><div>The present work provides an example of hydrogen flame compressible LES with relatively manageable computational costs (3.5M mesh cells) and a multi-regime-robust flame model, i.e., the Stochastic Fields method. The method avoids any assumptions regarding flame regime burning and burning mode selection or parameter tuning. The method also allows the incorporation an ‘accurate’ diffusive transport model, e.g., mixture-averaged, in a relatively straightforward manner. This may significantly help the study and simulation of hydrogen flames.</div><div>The present work systematically analyses the physical and chemical processes that occurred in the lean-premixed hydrogen flame a
本文介绍了用随机场法对贫预混崖体氢火焰进行可压缩大涡模拟的结果。LES等温场和反应场与实测结果吻合较好,显示了随机场方法在崖体氢火焰中的应用能力。对于反应场,分别采用了常数Schmidt/Prandtl数近似和混合平均扩散输运两种扩散输运模型,以隔离微分扩散对物质浓度和温度的影响。混合平均扩散输运模型在平均火焰形状方面优于常数Schmidt/Prandtl模型。混合平均扩散导致火焰根部的局部富集,更高的热释放率,温度,燃料消耗率和更多扩散的物种分布。再循环区的高温燃烧气体提高了分子扩散的重要性,这与可能的再层化有关。结果表明,在贫预混崖体稳定火焰中,包含精确的分子扩散输运对于氢火焰的重要性。DMD分析表明,两种扩散方法都能恢复反应流系统的重要动态特性。两种方法之间的一些物理空间差异也显示在它们的DMD模式方面。新颖性和意义声明本工作描述了微分扩散对贫氢预混火焰影响的LES研究。通过比较两种分子扩散输运模型得到的LES结果,分离了该效应;恒定施密特/普朗特数近似和混合平均扩散输运模型应用于崖体稳定氢火焰。对两种扩散输运方法的解进行了流场和火焰特性的比较分析。采用动态模态分解进行进一步分析。结果强调了在贫崖体稳定氢火焰中考虑差分扩散效应的重要性。该结果可能有助于模拟广泛的氢火焰应用。目前的工作提供了一个氢火焰可压缩LES的例子,其计算成本相对可管理(3.5M网格单元),并提供了一个多区鲁棒火焰模型,即随机场方法。该方法避免了任何关于火焰状态燃烧和燃烧模式选择或参数调整的假设。该方法还允许以相对直接的方式合并“精确”扩散输运模型,例如混合平均模型。这对氢火焰的研究和模拟具有重要意义。本文系统地分析了南京理工大学钝体燃烧器贫预混氢火焰产生的物理化学过程。以往对该燃烧器的计算研究数量有限,本文的工作将有助于氢火焰模拟方法的发展。
{"title":"Differential diffusion effects in a lean-premixed bluff-body stabilized hydrogen flame","authors":"Weiyue Liu,&nbsp;W.P. Jones","doi":"10.1016/j.combustflame.2025.114682","DOIUrl":"10.1016/j.combustflame.2025.114682","url":null,"abstract":"&lt;div&gt;&lt;div&gt;This paper describes the results of compressible large eddy simulations, with the Stochastic Fields method, of a lean-premixed bluff-body hydrogen flame. Both the LES isothermal and the reacting fields show good agreement with the measurements, revealing the capability of the Stochastic Fields method in bluff-body hydrogen flames. For the reacting field, two diffusive transport models, the constant Schmidt/Prandtl number approximation and mixture-averaged diffusion transport are implemented independently to isolate the effects of differential diffusion on species concentrations and temperature. The mixture-averaged diffusion transport model performs better than the constant Schmidt/Prandtl in terms of mean flame shape. Mixture-averaged diffusion results in local enrichment of the flame root, higher heat release rates, temperatures, fuel consumption rates and more diffused species profiles. High-temperature burnt gas in the recirculation zone elevates the significance of molecular diffusion, related to possible re-laminarization. The results reveal the importance of the inclusion of accurate molecular diffusive transport for hydrogen flames in lean-premixed bluff-body stabilized flames. DMD analysis suggests that both diffusion methods can recover the significant dynamic behaviour of the reacting flow system. Some physical-space differences between the two approaches are also shown in terms of their DMD modes.&lt;/div&gt;&lt;div&gt;&lt;strong&gt;Novelty and Significance Statement&lt;/strong&gt;&lt;/div&gt;&lt;div&gt;The present work describes an LES study of the effect of differential diffusion on the hydrogen lean-premixed flames. The effect is isolated by comparing LES results obtained with two molecular diffusive transport models; the constant Schmidt/Prandtl number approximation and the mixture-averaged diffusion transport model applied to a bluff-body stabilized hydrogen flame. The solutions from the two diffusion transport methods are compared and analysed regarding flow field and flame characteristics. Dynamic mode decomposition is applied for further analysis. The results highlight the importance of including the differential diffusion effects in lean bluff-body stabilized hydrogen flames. The result is likely to helpful in the simulation of a wide range of hydrogen flame applications.&lt;/div&gt;&lt;div&gt;The present work provides an example of hydrogen flame compressible LES with relatively manageable computational costs (3.5M mesh cells) and a multi-regime-robust flame model, i.e., the Stochastic Fields method. The method avoids any assumptions regarding flame regime burning and burning mode selection or parameter tuning. The method also allows the incorporation an ‘accurate’ diffusive transport model, e.g., mixture-averaged, in a relatively straightforward manner. This may significantly help the study and simulation of hydrogen flames.&lt;/div&gt;&lt;div&gt;The present work systematically analyses the physical and chemical processes that occurred in the lean-premixed hydrogen flame a","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"284 ","pages":"Article 114682"},"PeriodicalIF":6.2,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621398","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
期刊
Combustion and Flame
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1