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Kinetic modeling of carbonaceous particle morphology, polydispersity and nanostructure through the discrete sectional approach 通过离散断面法建立碳质颗粒形态、多分散性和纳米结构的动力学模型
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-30 DOI: 10.1016/j.combustflame.2024.113697

Carbon nanoparticle (CNP) formation from hydrocarbons combustion is of high interest not only for the study of pollutant (soot) emissions, but, above all, in the area of advanced materials. CNP optical and electronical properties, relevant for practical applications, significantly change with their size, morphology, and nanostructure. This work extends a detailed soot kinetic model, based on the discrete sectional approach, to explicitly incorporate the description of CNP polydispersity, maintaining the CHEMKIN-like format. The model considers various nanosized primary particles, generated from liquid-like counterparts through the carbonization process, which successively grow or aggregate forming fractal structures. The model is validated against experimental measurements from the literature including CNP volume fraction, several morphological characteristics, number density and particle H/C ratio. Data are taken from 19 laminar flames, in different configurations (counterflow diffusion flames, premixed flat flames established on the McKenna-type burner and burner-stabilized stagnation flames) and over a wide range of operating conditions (P=1–10 atm, Tmax=1556-2264 K). The model captures the measured trends of all the analyzed CNP properties as a function of equivalence ratio, residence time and fuel type in premixed flames, and pressure and strain rate in counterflow flames. Model deviations from the experiments are discussed, also in comparison with other state-of-the-art soot models based on different approaches. Sensitivity analyses are performed on carbonization, coalescence, and aggregation rates, which have the largest impact on CNP morphology and are characterized by larger uncertainty compared to elementary chemical pathways.

碳氢化合物燃烧产生的碳纳米粒子(CNP)不仅在研究污染物(烟尘)排放方面具有重要意义,在先进材料领域更是如此。与实际应用相关的 CNP 光学和电子特性会随着其尺寸、形态和纳米结构的变化而发生显著变化。本研究基于离散截面法扩展了详细的烟尘动力学模型,明确纳入了对 CNP 多分散性的描述,并保持了类似 CHEMKIN 的格式。该模型考虑了通过碳化过程从液态对应物中生成的各种纳米级初级粒子,这些粒子相继生长或聚集形成分形结构。该模型根据文献中的实验测量结果进行了验证,包括 CNP 体积分数、几种形态特征、数量密度和颗粒 H/C 比。数据取自 19 种不同配置的层流火焰(逆流扩散火焰、建立在麦肯纳型燃烧器上的预混合平焰和燃烧器稳定停滞火焰),以及广泛的工作条件(P=1-10 atm,Tmax=1556-2264 K)。该模型捕捉到了所有分析的 CNP 特性的测量趋势,这些特性是等效比、停留时间和预混火焰中燃料类型以及逆流火焰中压力和应变率的函数。讨论了模型与实验的偏差,并与基于不同方法的其他先进烟尘模型进行了比较。对碳化、凝聚和聚集率进行了敏感性分析,这些因素对 CNP 形态的影响最大,而且与基本化学途径相比具有更大的不确定性。
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引用次数: 0
Effect of hydrogen concentration, initial pressure and temperature on mechanisms of hydrogen explosion in confined spaces 氢气浓度、初始压力和温度对密闭空间氢气爆炸机理的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-29 DOI: 10.1016/j.combustflame.2024.113696

Hydrogen as a renewable clean energy raises industrial safety and environmental issues. Studying the mechanism of hydrogen explosion in confined space is significant for guiding the risk assessment and efficient use of hydrogen energy. This paper used a 20 L explosion chamber to explore the effect of initial concentration changes on the hydrogen explosion and verify the model, the CHEMKIN simulation software was used to qualitatively and quantitatively evaluate the dynamic behavior characteristics of hydrogen explosion in confined space under different initial conditions, and the variation law of physical process of hydrogen explosion under different influencing factors in confined space was revealed from macro-micro perspectives. This study shows that the maximum explosion temperature and pressure under fuel-rich conditions are generally higher than those under fuel-lean conditions. The induction period of the hydrogen explosion reaction gradually shortens as the initial pressure increases, there is a negative temperature coefficient effect of ignition delay at the initial temperature of 800 K. In addition, compared with the initial pressure, higher explosion temperature and faster reactant mixing speed significantly affect the gas explosion reaction rate. The molar fractions of free radicals H, O, and OH show an inverted V-shaped relationship with the initial hydrogen concentration, and there is a hysteresis phenomenon in the final molar fraction peak of H free radicals; Sensitivity analysis indicates that free radicals are mainly responsive to the intermediate reaction R16 (forward direction) and R9 (reverse direction), thereby affecting parameters such as explosion pressure and temperature. These research findings can provide theoretical support for developing hydrogen explosion suppression technology.

氢作为一种可再生清洁能源,引发了工业安全和环境问题。研究密闭空间氢气爆炸机理对于指导风险评估和有效利用氢能具有重要意义。本文利用 20 L 爆炸室探讨了初始浓度变化对氢气爆炸的影响并验证了模型,利用 CHEMKIN 仿真软件定性定量评价了不同初始条件下密闭空间氢气爆炸的动态行为特征,从宏观和微观角度揭示了密闭空间不同影响因素下氢气爆炸物理过程的变化规律。研究表明,富燃料条件下的最高爆炸温度和压力普遍高于贫燃料条件下的最高爆炸温度和压力。此外,与初始压力相比,较高的爆炸温度和较快的反应物混合速度会显著影响气爆反应速率。自由基 H、O 和 OH 的摩尔分数与初始氢浓度呈倒 V 型关系,且 H 自由基的最终摩尔分数峰存在滞后现象;灵敏度分析表明,自由基主要对中间反应 R16(正向)和 R9(反向)产生响应,从而影响爆炸压力和温度等参数。这些研究成果可为开发氢气爆炸抑制技术提供理论支持。
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引用次数: 0
Spontaneous ignition and flame propagation in hydrogen/methane wrinkled laminar flames at reheat conditions: Effect of pressure and hydrogen fraction 再加热条件下氢气/甲烷皱褶层流火焰的自燃和火焰传播:压力和氢组分的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113695

Direct numerical simulations (DNS) with detailed chemical kinetics and chemical explosive mode analysis (CEMA) are performed to investigate the effect of operating pressure and hydrogen–methane blending on laminar wrinkled flames at reheat combustion conditions. Building upon previous three-dimensional DNS datasets of reheat hydrogen flames, the present work considers two-dimensional configurations that render computationally-feasible simulations of high-pressure combustion and significantly more complex hydrocarbon chemistry. A geometrically-simplified representation of the reheat combustor is adopted and the thermodynamic states considered in the simulations are carefully chosen to mimic gas turbine operation conditions, which are constrained to achieve a target flame position and flame temperature. The two-dimensional DNS results are first assessed against the available three-dimensional data and then analyzed to extract the main trends exhibited by the reheat combustion process with respect to the fraction of the fuel consumed by spontaneous ignition and flame propagation, for increasing pressures and hydrogen fractions. Due to significant differences in the characteristic features of the velocity and thermal boundary layers between the three-dimensional and the two-dimensional configurations, a different global flame shape is observed (V-shaped flame vs W-shape flame) together with a 10% bias in the fraction of fuel consumed by spontaneous ignition. Crucially, results from the scaling studies reveal very clear trends with a significant decrease in the fuel consumption by spontaneous ignition for increasing pressures and hydrogen fractions, at the conditions investigated. Finally, this study highlights the important role that first-principle direct numerical simulations, even when conducted in computationally affordable two-dimensional simplified geometrical configurations, can play in obtaining detailed insights and quantitative trends useful for the characterization of complex reactive flows.

Novelty and significance

The reheat burners of the two-stage sequential gas turbine combustors are designed to stabilize flames primarily due to spontaneous ignition. However, prior numerical simulations revealed the presence of an additional assisted-ignition mode aided by recirculation zones. In this study, we used practically feasible two-dimensional direct numerical simulations of premixed hydrogen–air mixtures under lean conditions to quantify the roles of the two flame stabilization modes at different operating pressures. Achieving fundamental understanding of the effect of pressure and hydrogen fraction on flame stabilization is crucial to the development of two-stage sequential combustion and the present two-dimensional calculations provide important new insights. We show that at high pressures, both modes consume fuel to a similar exte

通过详细的化学动力学和化学爆炸模式分析(CEMA)进行了直接数值模拟(DNS),以研究工作压力和氢气-甲烷混合对再热燃烧条件下层状皱纹火焰的影响。在以前的再热氢气火焰三维 DNS 数据集的基础上,本研究考虑了二维配置,从而可以对高压燃烧和更为复杂的碳氢化合物化学反应进行计算上可行的模拟。本研究采用了再热燃烧器的几何简化表示法,并精心选择了模拟中考虑的热力学状态,以模拟燃气轮机的运行条件,这些条件受限于实现目标火焰位置和火焰温度。首先根据现有的三维数据对二维 DNS 结果进行评估,然后进行分析,以提取再热燃烧过程的主要趋势,即在压力和氢气分数不断增加的情况下,自发点火和火焰传播所消耗的燃料比例。由于三维和二维构型的速度和热边界层的特征存在显著差异,因此观察到了不同的整体火焰形状(V 形火焰与 W 形火焰),同时自燃消耗的燃料比例偏差达 10%。最重要的是,缩放研究的结果显示出非常明显的趋势,即在所研究的条件下,随着压力和氢气分数的增加,自燃消耗的燃料会显著减少。最后,本研究强调了第一原理直接数值模拟的重要作用,即使是在计算负担得起的二维简化几何配置中进行模拟,也能获得详细的洞察力和定量趋势,有助于描述复杂的反应流。然而,之前的数值模拟显示,在再循环区的帮助下,还存在一种辅助点火模式。在本研究中,我们利用实际可行的二维直接数值模拟,对贫油条件下的预混合氢气-空气混合物进行了模拟,以量化两种火焰稳定模式在不同工作压力下的作用。从根本上理解压力和氢气组分对火焰稳定的影响对于两级顺序燃烧的发展至关重要,本二维计算提供了重要的新见解。我们的研究表明,在高压下,两种模式对燃料的消耗程度相似。我们还研究了甲烷混合对火焰稳定的影响。本研究还讨论了如何利用二维直接数值模拟对技术准备水平较低的再热燃烧器进行设计优化。
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引用次数: 0
Effect of background noise characteristics on early warning indicators of thermoacoustic instability 背景噪声特性对热声不稳定性预警指标的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113687

In this work, we investigate the effects of background noise characteristics — specifically noise color (or correlation time) and intensity — arising from velocity-coupled and additive noise sources, on the early warning indicators (EWIs) of thermoacoustic instability. We employ a nonlinear reduced-order combustion dynamics model for our investigation. In the absence of noise, the nonlinear model undergoes a subcritical Hopf bifurcation, and our focus lies within the linearly stable region of the system (subthreshold region). The studied class of EWIs encompasses those derived from time series (variance), spectral analysis (coherence factor), Hurst exponent, and nonlinear methods (permutation entropy). We find that when the background noise is purely multiplicative, the trends in EWIs are primarily influenced by noise characteristics rather than the control parameter. Further, the EWIs cannot be estimated at low noise levels for large correlation times. In case of purely additive noise driven system, the coherence factor and variance are reliable EWIs across all range of investigated noise characteristics. The Hurst exponent can serve as effective EWI when the system features large noise correlation times, while permutation entropy is effective only when the system features small noise correlation time, i.e., where white noise assumption is acceptable. When the background noise includes contributions from both multiplicative and additive sources, coherence factor and variance emerges as the most reliable EWIs. These results provide insights for selecting appropriate EWIs to be employed in practical systems, considering potential variations in noise characteristics with simultaneous changes in combustor operating conditions.

Novelty and significance

This study conclusively shows that background noise (multiplicative and additive) characteristics – noise correlation time (color) and intensity – can significantly change the trends in early warning indicators (EWIs) for predicting the impending thermoacoustic oscillations. In gas turbine combustors, where thermoacoustic instability poses a critical challenge, inherent noise dynamics undergo variations with changing operating conditions and combustor designs. The development of effective EWIs to foresee the onset of thermoacoustic instability is crucial for preventing potential damage and ensuring the reliable operation of combustion systems. Previous works on stochastic dynamics of combustors simplify noise with the additive white noise assumption. Thus, our results demonstrated on a nonlinear combustion dynamics model advance the state-of-the-art with respect to the early prediction and control of thermoacoustic instability. The results provide valuable insights for selecting appropriate EWIs for engine monitoring in the absence of information on noise properties and their variation with operating conditions. This practical information is of direct relevance and

在这项工作中,我们研究了背景噪声特征--特别是噪声颜色(或相关时间)和强度--对热声不稳定性预警指标(EWIs)的影响,这些噪声来自速度耦合噪声源和相加噪声源。我们采用非线性降阶燃烧动力学模型进行研究。在没有噪声的情况下,非线性模型会发生次临界霍普夫分岔,而我们的研究重点在于系统的线性稳定区域(次阈值区域)。所研究的 EWI 类别包括从时间序列(方差)、频谱分析(相干因子)、赫斯特指数和非线性方法(置换熵)中得出的 EWI。我们发现,当背景噪声纯粹是乘法噪声时,EWIs 的趋势主要受噪声特性而非控制参数的影响。此外,在相关时间较大的低噪声水平下,EWI 无法估算。在纯加性噪声驱动的系统中,相干系数和方差是所有调查噪声特性范围内可靠的 EWI。当系统具有较大的噪声相关时间时,赫斯特指数可作为有效的 EWI,而排列熵只有在系统具有较小的噪声相关时间(即白噪声假设可接受)时才有效。当背景噪声包括乘法源和加法源时,相干系数和方差成为最可靠的 EWI。这些结果为在实际系统中选择合适的预警指标提供了启示,同时考虑到了噪声特性随燃烧器运行条件的变化而可能出现的变化。 新颖性和意义这项研究最终表明,背景噪声(乘法和加法)特性--噪声相关时间(颜色)和强度--会显著改变预警指标(EWIs)的趋势,从而预测即将发生的热声振荡。在燃气轮机燃烧器中,热声不稳定性是一项严峻的挑战,其固有的噪声动态会随着运行条件和燃烧器设计的变化而变化。开发有效的 EWI 来预测热声不稳定性的发生,对于防止潜在的损坏和确保燃烧系统的可靠运行至关重要。以往关于燃烧器随机动力学的研究通过加性白噪声假设简化了噪声。因此,我们在非线性燃烧动力学模型上展示的结果,推进了热声不稳定性早期预测和控制方面的先进水平。在缺乏噪声特性及其随工作条件变化的信息的情况下,这些结果为选择合适的发动机监控 EWI 提供了宝贵的见解。这些实用信息对任何燃气轮机制造商/用户都有直接的意义和兴趣。
{"title":"Effect of background noise characteristics on early warning indicators of thermoacoustic instability","authors":"","doi":"10.1016/j.combustflame.2024.113687","DOIUrl":"10.1016/j.combustflame.2024.113687","url":null,"abstract":"<div><p>In this work, we investigate the effects of background noise characteristics — specifically noise color (or correlation time) and intensity — arising from velocity-coupled and additive noise sources, on the early warning indicators (EWIs) of thermoacoustic instability. We employ a nonlinear reduced-order combustion dynamics model for our investigation. In the absence of noise, the nonlinear model undergoes a subcritical Hopf bifurcation, and our focus lies within the linearly stable region of the system (subthreshold region). The studied class of EWIs encompasses those derived from time series (variance), spectral analysis (coherence factor), Hurst exponent, and nonlinear methods (permutation entropy). We find that when the background noise is purely multiplicative, the trends in EWIs are primarily influenced by noise characteristics rather than the control parameter. Further, the EWIs cannot be estimated at low noise levels for large correlation times. In case of purely additive noise driven system, the coherence factor and variance are reliable EWIs across all range of investigated noise characteristics. The Hurst exponent can serve as effective EWI when the system features large noise correlation times, while permutation entropy is effective only when the system features small noise correlation time, i.e., where white noise assumption is acceptable. When the background noise includes contributions from both multiplicative and additive sources, coherence factor and variance emerges as the most reliable EWIs. These results provide insights for selecting appropriate EWIs to be employed in practical systems, considering potential variations in noise characteristics with simultaneous changes in combustor operating conditions.</p><p><strong>Novelty and significance</strong></p><p>This study conclusively shows that background noise (multiplicative and additive) characteristics – noise correlation time (color) and intensity – can significantly change the trends in early warning indicators (EWIs) for predicting the impending thermoacoustic oscillations. In gas turbine combustors, where thermoacoustic instability poses a critical challenge, inherent noise dynamics undergo variations with changing operating conditions and combustor designs. The development of effective EWIs to foresee the onset of thermoacoustic instability is crucial for preventing potential damage and ensuring the reliable operation of combustion systems. Previous works on stochastic dynamics of combustors simplify noise with the additive white noise assumption. Thus, our results demonstrated on a nonlinear combustion dynamics model advance the state-of-the-art with respect to the early prediction and control of thermoacoustic instability. The results provide valuable insights for selecting appropriate EWIs for engine monitoring in the absence of information on noise properties and their variation with operating conditions. This practical information is of direct relevance and ","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087523","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
Predicting extinction limits of concurrent smoldering spread by a reduced analytical model 用简化分析模型预测并发烟火蔓延的消亡极限
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113668

Smoldering is a flameless combustion mode occurring on the surface of charring fuels, such as wood and cigarettes. Although the smoldering process is slow and has a low temperature compared to flaming, it is easy to be initiated by a weak heat source and persists under poor oxygen conditions. Extensive work has been done for flame extinction to develop scaling models to predict the limiting oxygen concentration (LOC), but limited work is available for the smoldering extinction. This study develops a reduced analytical model to predict the extinction limits of smoldering. The model simultaneously solves smoldering propagation rate, surface temperature, and surface oxygen mass fraction as part of the solutions. The extinction limit is determined as the critical condition where solutions satisfying all governing equations cease to exist. The model provides a qualitative description and captures the essential characteristics of a previous experiment. The smoldering rate decreases with increasing fuel diameter, and a larger-diameter fuel is easier to extinguish. The mechanisms of the extinction process are investigated, showing the dominant role of radiative heat loss in the smothering limit at low airflow velocities and convective heat loss near the blowoff limit at high airflow velocities. Further analysis of the effect of oxygen concentration shows an increasing trend of LOC with fuel diameter, and the smothering branch cannot be predicted without considering the heat loss through radiation from the solid surface.

Novelty and Significance Statement

The novelty of this research is the prediction of smoldering propagation rates and extinction limits across various fuel diameters using a reduced analytical model. The model is modified to accommodate a thin fuel configuration and high airflow velocity condition, where convective heat and mass transfer play a more important role. The model's significance is that it not only provides essential insights into the mechanisms but also has the capability to simultaneously determine key parameters such as spread rate, reaction temperatures, and surface oxygen concentration as part of the solutions. Additionally, this study demonstrates the model's ability to reproduce the limit conditions, including smothering/blowoff limits and limiting oxygen concentration (LOC).

烟熏是一种发生在木材和香烟等炭化燃料表面的无焰燃烧模式。虽然与火焰相比,烟熏过程缓慢且温度较低,但它很容易由弱热源引发,并在氧气条件较差的情况下持续存在。在火焰熄灭方面已经开展了大量工作,开发了预测极限氧气浓度(LOC)的比例模型,但在烟熏熄灭方面的工作还很有限。本研究开发了一个简化的分析模型来预测烟火的熄灭极限。该模型同时求解烟熏传播速度、表面温度和表面氧质量分数。熄灭极限被确定为满足所有控制方程的解不再存在的临界条件。该模型提供了定性描述,并捕捉到了先前实验的基本特征。燃烧率随着燃料直径的增大而降低,直径较大的燃料更容易熄灭。对熄灭过程的机理进行了研究,结果表明,在低气流速度时,辐射热损失在窒息极限起主导作用,而在高气流速度时,对流热损失在吹熄极限附近起主导作用。对氧气浓度影响的进一步分析表明,LOC 随燃料直径的增加而呈上升趋势,如果不考虑固体表面的辐射热损失,就无法预测闷烧分支。对模型进行了修改,以适应薄燃料结构和高气流速度条件,其中对流传热和传质发挥了更重要的作用。该模型的重要意义在于,它不仅提供了对机理的重要见解,还能同时确定关键参数,如扩散速率、反应温度和表面氧浓度,作为解决方案的一部分。此外,这项研究还证明了该模型能够再现极限条件,包括窒息/吹散极限和极限氧浓度 (LOC)。
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引用次数: 0
Effects of strain and pressure on entropy generation in laminar flames 应变和压力对层流火焰熵生成的影响
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113688

The mitigation of combustion noise is crucial for preventing thermoacoustic instabilities in rocket and gas turbine engines. Entropy noise, arising from entropy fluctuations within the engine, serves as a prominent noise source. Therefore, understanding the mechanisms governing entropy generation in flames becomes imperative for identifying the roots of indirect combustion noise. While previous studies have broadly examined various pathways of entropy generation under different canonical configurations of laminar flames, surprisingly, the effect of strain and pressure has been overlooked. This aspect is analyzed in the present work. Building upon previous analysis, the entropy source term of the reacting flow is decomposed into three sub-terms: the unsteady heat release term (Se,1), the sensible enthalpy term (Se,2), and the partial entropy term (Se,3). The extent to which these three sub-terms contribute to entropy generation is thoroughly analyzed. Simultaneously, the scaling laws of the three sub-terms with respect to strain rate and pressure are investigated. The inclusion of detailed chemical kinetics as well as flame structure in the simulation dataset allows for in-depth investigation into the mechanism of the strain and pressure effects. Three canonical laminar flame configurations – the freely propagating premixed flame, the premixed counterflow flame, and the counterflow diffusion flame – are investigated. The following main conclusions are drawn: the heat release term is the leading constituent of the entropy source; the sensible enthalpy term is negligible; and the partial entropy term is secondary while non-negligible. Under strain and pressure variations, the contribution of the partial entropy term to total entropy production can greatly off-set the total entropy source or even qualitatively affect the strain/pressure response of the entropy generation, i.e., the strain response of the premixed flame and pressure response of the hydrogen non-premixed flame.

Novelty and significance statement

1. Conducted a systematic investigation of entropy production due to chemical reactions under the influence of strain and pressure variations.

2. Revealed that the partial entropy term, often overlooked in previous studies, can surpass the heat release term in certain configurations, emerging as the leading constituent of the total entropy generation source.

3. Identified dominating reactions contributing to entropy production for two different fuels of hydrogen and methane.

降低燃烧噪声对于防止火箭和燃气涡轮发动机的热声不稳定性至关重要。由发动机内部熵波动产生的熵噪声是一个突出的噪声源。因此,要找出间接燃烧噪声的根源,就必须了解火焰中熵的产生机制。以往的研究广泛考察了层流火焰不同典型构型下熵产生的各种途径,但令人惊讶的是,应变和压力的影响却被忽视了。本研究对这方面进行了分析。在以往分析的基础上,将反应流的熵源项分解为三个子项:非稳态放热项(Se,1)、显焓项(Se,2)和部分熵项(Se,3)。我们深入分析了这三个子项对熵生成的贡献程度。同时,研究了这三个子项在应变速率和压力方面的缩放规律。将详细的化学动力学和火焰结构纳入模拟数据集,可以深入研究应变和压力效应的机理。研究了三种典型的层流火焰构型--自由传播的预混火焰、预混逆流火焰和逆流扩散火焰。得出以下主要结论:热释放项是熵源的主要成分;显焓项可忽略不计;部分熵项是次要的,但不可忽略。在应变和压力变化的情况下,部分熵项对总熵产生的贡献可以极大地抵消总熵源,甚至定性地影响熵产生的应变/压力响应,即预混合火焰的应变响应和氢气非预混合火焰的压力响应。对应变和压力变化影响下化学反应导致的熵产生进行了系统研究。 2. 揭示了以往研究中经常忽略的部分熵项在某些配置中可能超过热释放项,成为总熵产生源的主要成分。
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引用次数: 0
A quantitative theory for heterogeneous combustion of nonvolatile metal particles in the diffusion-limited regime 非挥发性金属颗粒在扩散受限状态下的异质燃烧定量理论
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113692

The paper presents an analytical theory quantitatively describing the heterogeneous combustion of nonvolatile (metal) particles in the diffusion-limited regime. It is assumed that the particle is suspended in an unconfined, isobaric, quiescent gaseous mixture and the chemisorption of the oxygen takes place evenly on the particle surface. The analytical solution of the particle burn time is derived from the conservation equations of the gas-phase described in a spherical coordinate system with the utilization of constant thermophysical properties, evaluated at a reference film layer. This solution inherently takes the Stefan flow into account. The approximate expression of the time-dependent particle temperature is solved from the conservation of the particle enthalpy by neglecting the higher order terms in the Taylor expansion of the product of the transient particle density and diameter squared. Coupling the solutions for the burn time and time-dependent particle temperature provides quantitative results when initial and boundary conditions are specified. The theory is employed to predict the burn time and temperature of 10–100 μm iron particles, which are then compared with measurements, as the first validation case. The theoretical burn time agrees with the experiments almost perfectly at both low and high oxygen levels. The calculated particle temperature matches the measurements fairly well at relatively low oxygen mole fractions, whereas the theory overpredict the particle peak temperature due to the neglect of evaporation and the possible transition of the combustion regime.

Novelty and significance statement

For the first time, we present a comprehensive and quantitative analytical theory elucidating the heterogeneous combustion of nonvolatile (metal) particles in the diffusion-limited regime. This novel theoretical model exhibits a remarkable capacity for quantitative prediction, obviating the need for supplementary information from numerical simulations or experimental data. The derivation process of analytical solutions for burn time and time-dependent particle temperature from conservation equations is elaborated, offering transparency and insight into the model’s foundations. To demonstrate the practical utility of the theory, we apply it to analyze the combustion of iron particles, providing valuable mathematical perspectives on the underlying processes. The model’s predictions for burn time and temperature align closely with experimental results, offering a partial validation of the theory within the realm of its applicable assumptions. This pioneering work contributes a robust and versatile analytical framework, advancing our understanding of diffusion-limited combustion phenomena of nonvolatile particles.

本文提出了一种分析理论,定量描述了非挥发性(金属)颗粒在扩散受限状态下的异质燃烧。假定颗粒悬浮在无约束、等压、静止的气体混合物中,氧气的化学吸附均匀地发生在颗粒表面。粒子燃烧时间的解析解来自在球形坐标系中描述的气相守恒方程,利用恒定的热物理性质,在参考膜层进行评估。这种解法本质上考虑了斯特凡流。通过忽略瞬态颗粒密度与直径平方乘积的泰勒扩展中的高阶项,从颗粒焓守恒中求解出随时间变化的颗粒温度近似表达式。在指定初始条件和边界条件时,将燃烧时间和随时间变化的粒子温度的解耦合起来就能得到定量结果。理论用于预测 10-100 μm 铁粒子的燃烧时间和温度,然后与测量结果进行比较,作为第一个验证案例。在低氧和高氧条件下,理论燃烧时间与实验结果几乎完全吻合。在氧气摩尔分数相对较低的情况下,计算得出的颗粒温度与测量结果相当吻合,而由于忽略了蒸发和燃烧机制的可能转变,理论对颗粒峰值温度的预测过高。这种新颖的理论模型具有卓越的定量预测能力,无需从数值模拟或实验数据中获取补充信息。该模型详细阐述了从守恒方程推导出燃烧时间和随时间变化的粒子温度的分析解的过程,提供了模型基础的透明度和洞察力。为了证明该理论的实用性,我们将其应用于分析铁颗粒的燃烧,为基本过程提供了宝贵的数学视角。模型对燃烧时间和温度的预测与实验结果非常吻合,在其适用的假设范围内对理论进行了部分验证。这项开创性的工作为我们提供了一个稳健、通用的分析框架,促进了我们对非挥发性颗粒的扩散受限燃烧现象的理解。
{"title":"A quantitative theory for heterogeneous combustion of nonvolatile metal particles in the diffusion-limited regime","authors":"","doi":"10.1016/j.combustflame.2024.113692","DOIUrl":"10.1016/j.combustflame.2024.113692","url":null,"abstract":"<div><p>The paper presents an analytical theory quantitatively describing the heterogeneous combustion of nonvolatile (metal) particles in the diffusion-limited regime. It is assumed that the particle is suspended in an unconfined, isobaric, quiescent gaseous mixture and the chemisorption of the oxygen takes place evenly on the particle surface. The analytical solution of the particle burn time is derived from the conservation equations of the gas-phase described in a spherical coordinate system with the utilization of constant thermophysical properties, evaluated at a reference film layer. This solution inherently takes the Stefan flow into account. The approximate expression of the time-dependent particle temperature is solved from the conservation of the particle enthalpy by neglecting the higher order terms in the Taylor expansion of the product of the transient particle density and diameter squared. Coupling the solutions for the burn time and time-dependent particle temperature provides quantitative results when initial and boundary conditions are specified. The theory is employed to predict the burn time and temperature of 10–100 <span><math><mi>μ</mi></math></span>m iron particles, which are then compared with measurements, as the first validation case. The theoretical burn time agrees with the experiments almost perfectly at both low and high oxygen levels. The calculated particle temperature matches the measurements fairly well at relatively low oxygen mole fractions, whereas the theory overpredict the particle peak temperature due to the neglect of evaporation and the possible transition of the combustion regime.</p><p><strong>Novelty and significance statement</strong></p><p>For the first time, we present a comprehensive and quantitative analytical theory elucidating the heterogeneous combustion of nonvolatile (metal) particles in the diffusion-limited regime. This novel theoretical model exhibits a remarkable capacity for quantitative prediction, obviating the need for supplementary information from numerical simulations or experimental data. The derivation process of analytical solutions for burn time and time-dependent particle temperature from conservation equations is elaborated, offering transparency and insight into the model’s foundations. To demonstrate the practical utility of the theory, we apply it to analyze the combustion of iron particles, providing valuable mathematical perspectives on the underlying processes. The model’s predictions for burn time and temperature align closely with experimental results, offering a partial validation of the theory within the realm of its applicable assumptions. This pioneering work contributes a robust and versatile analytical framework, advancing our understanding of diffusion-limited combustion phenomena of nonvolatile particles.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0010218024004012/pdfft?md5=e5abc28d9e00388ab116be91ec78aa85&pid=1-s2.0-S0010218024004012-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087524","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
Quantitative comparison of the benefits of cracking and nanosecond repetitive pulsed discharges on the lean blow-off, emissions, and topology of ammonia premixed swirl flames 定量比较裂解和纳秒重复脉冲放电对氨预混漩涡火焰的贫化吹脱、排放和拓扑结构的益处
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-28 DOI: 10.1016/j.combustflame.2024.113678

In the last decade, ammonia has gained interest as an alternative fuel for the energy sector. The main advantages include its carbon neutrality and ease of storage at industrial scale. However, to consider ammonia as an alternative carbon-free fuel it is necessary to solve two main issues, namely flame stability and pollutant emission. In this work we compared two promising technologies used to enhance ammonia combustion, specifically partial cracking and plasma assisted combustion (PAC). The experiments were carried out for different blends of ammonia–hydrogen–nitrogen–air that reproduce the conditions of cracking as well as for pure ammonia assisted by nanosecond repetitive pulsed (NRP) discharges for the PAC. The cracking and PAC were compared for the same added power ratio at atmospheric conditions. Different added power ratios, from 0.1% to 4% of the flame’s total thermal power, were tested. The lean blow-off limits were measured for a range of bulk flow velocities between of 4 and 12 m/s. For the pollutant emissions, NOx, NH3, and N2O were considered. The effect of both strategies on the Laminar burning velocity (LBV) was explored by numerical simulations. For the same added power ratio, partial cracking extended the lean blow-off limits further than NRP discharges, even with a high pulse repetition frequency of 30 kHz. This result indicated that cracking was more effective in stabilizing the flame than PAC. Regarding NOx emissions, NRP discharges induced only a third of the increase observed with cracking. However, the reduction in N2O associated with cracking was twice as much as that for NRP discharges. Finally, cracking proved more efficient in reducing the flame height, which was supported by the simulations of LBV. These results suggest that PAC strategies optimized for hydrocarbon flames are less efficient on ammonia combustion, and that more work is needed to develop plasma actuators for NH3 combustion.

Novelty and Significance statement This work marks the first one-to-one quantitative comparison between plasma actuation and thermal cracking on ammonia swirl flames. It serves as a pivotal exploration to assess and understand the economic aspects of these strategies, providing valuable insights into their efficiency and potential for practical implementation.

在过去十年中,氨作为能源行业的替代燃料受到了越来越多的关注。其主要优点包括碳中和以及易于工业化储存。然而,要将氨视为一种无碳替代燃料,必须解决两个主要问题,即火焰稳定性和污染物排放。在这项工作中,我们比较了用于增强氨燃烧的两种有前途的技术,特别是部分裂解和等离子体辅助燃烧(PAC)。实验针对不同的氨-氢-氮-空气混合物(再现了裂解条件)以及纯氨在纳秒重复脉冲(NRP)放电辅助下的 PAC 进行。在大气条件下,对相同添加功率比的裂解和 PAC 进行了比较。测试了不同的添加功率比,从火焰总热力的 0.1% 到 4%。在 4 至 12 米/秒的散装流速范围内测量了贫气吹脱极限。污染物排放考虑了 NOx、NH3 和 N2O。通过数值模拟探讨了两种策略对层流燃烧速度(LBV)的影响。在附加功率比相同的情况下,即使采用 30 kHz 的高脉冲重复频率,部分裂解也能比 NRP 放电进一步扩展贫气吹脱极限。这一结果表明,在稳定火焰方面,裂解比 PAC 更有效。在氮氧化物排放方面,NRP 放电引起的增加量仅为裂解的三分之一。然而,与裂解相关的一氧化二氮的减少量是 NRP 放电的两倍。最后,裂解被证明在降低火焰高度方面更有效,这也得到了 LBV 模拟的支持。这些结果表明,针对碳氢化合物火焰优化的 PAC 策略在氨燃烧中的效率较低,因此需要做更多的工作来开发用于 NH3 燃烧的等离子致动器。它是评估和了解这些策略的经济性的重要探索,为了解其效率和实际应用潜力提供了宝贵的见解。
{"title":"Quantitative comparison of the benefits of cracking and nanosecond repetitive pulsed discharges on the lean blow-off, emissions, and topology of ammonia premixed swirl flames","authors":"","doi":"10.1016/j.combustflame.2024.113678","DOIUrl":"10.1016/j.combustflame.2024.113678","url":null,"abstract":"<div><p>In the last decade, ammonia has gained interest as an alternative fuel for the energy sector. The main advantages include its carbon neutrality and ease of storage at industrial scale. However, to consider ammonia as an alternative carbon-free fuel it is necessary to solve two main issues, namely flame stability and pollutant emission. In this work we compared two promising technologies used to enhance ammonia combustion, specifically partial cracking and plasma assisted combustion (PAC). The experiments were carried out for different blends of ammonia–hydrogen–nitrogen–air that reproduce the conditions of cracking as well as for pure ammonia assisted by nanosecond repetitive pulsed (NRP) discharges for the PAC. The cracking and PAC were compared for the same added power ratio at atmospheric conditions. Different added power ratios, from 0.1% to 4% of the flame’s total thermal power, were tested. The lean blow-off limits were measured for a range of bulk flow velocities between of 4 and 12 m/s. For the pollutant emissions, NOx, NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, and N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O were considered. The effect of both strategies on the Laminar burning velocity (LBV) was explored by numerical simulations. For the same added power ratio, partial cracking extended the lean blow-off limits further than NRP discharges, even with a high pulse repetition frequency of 30 kHz. This result indicated that cracking was more effective in stabilizing the flame than PAC. Regarding NOx emissions, NRP discharges induced only a third of the increase observed with cracking. However, the reduction in N<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O associated with cracking was twice as much as that for NRP discharges. Finally, cracking proved more efficient in reducing the flame height, which was supported by the simulations of LBV. These results suggest that PAC strategies optimized for hydrocarbon flames are less efficient on ammonia combustion, and that more work is needed to develop plasma actuators for NH<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> combustion.</p><p><strong>Novelty and Significance statement</strong> This work marks the first one-to-one quantitative comparison between plasma actuation and thermal cracking on ammonia swirl flames. It serves as a pivotal exploration to assess and understand the economic aspects of these strategies, providing valuable insights into their efficiency and potential for practical implementation.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142087552","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
Composition changes and micro explosion characteristics of burning droplets formed by combustion of micrometer iron wires 微米铁丝燃烧形成的燃烧液滴的成分变化和微爆炸特性
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-27 DOI: 10.1016/j.combustflame.2024.113662

To analyze the composition changes during the combustion process of iron droplets using the energy balance equation, iron wires with diameters of tens of micrometers were burned to form temperature-stable iron droplets with diameters of hundreds of micrometers. High-speed two-color imaging pyrometry was employed to measure the spatially resolved surface temperature and volume changes of the droplets under varying oxygen concentrations. Experimental results showed that the droplet's temperature stabilized between the melting points of wüstite and iron. Quantitative analysis revealed the presence of bubbles within the droplets, primarily sourced from the oxidation of carbon in the iron to carbon dioxide. Simulation results of the droplet combustion process revealed that at the experimental combustion temperatures, the transport of oxygen in molten iron oxides was the rate-limiting step. The gas responsible for micro-explosions originates from the release of dissolved excess oxygen before the solidification of molten iron oxides, with rough estimates indicating that the mass of the released gas is only 0.02% to 0.03% of the droplet mass. The impact of reaction kinetics parameters on the simulation results, as well as the role of the micro-explosion mechanism in the self-sustained combustion of iron wires, were also discussed.

为了利用能量平衡方程分析铁液滴燃烧过程中的成分变化,我们燃烧了直径为数十微米的铁丝,形成了直径为数百微米、温度稳定的铁液滴。采用高速双色成像高温计测量了不同氧气浓度下液滴的空间分辨表面温度和体积变化。实验结果表明,液滴的温度稳定在硅灰石和铁的熔点之间。定量分析显示液滴中存在气泡,主要来源于铁中的碳氧化成二氧化碳。液滴燃烧过程的模拟结果显示,在实验燃烧温度下,熔融氧化铁中氧的迁移是限制速度的步骤。造成微爆炸的气体来源于熔融氧化铁凝固前溶解过量氧气的释放,粗略估计释放气体的质量仅为液滴质量的 0.02% 至 0.03%。此外,还讨论了反应动力学参数对模拟结果的影响,以及微爆炸机制在铁丝自持燃烧中的作用。
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引用次数: 0
Self-induced radical sensitization in ammonia oxidation at intermediate temperatures and elevated pressures 中间温度和高压下氨氧化过程中的自诱导自由基敏化作用
IF 5.8 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-08-23 DOI: 10.1016/j.combustflame.2024.113658

The number of experimental studies on ammonia (NH3) oxidation has rapidly increased. However, species data at elevated or high pressures are still limited compared to those at atmospheric pressures. The study aims to understand ammonia oxidation under intermediate-temperature and elevated-pressure conditions by conducting species measurements of NH3, H2, N2O, and NO in a micro flow reactor with a controlled temperature profile (MFR). The maximum wall temperatures and pressures in the MFR were varied in a range of Tw, max = 1100–1400 K and P = 0.1–0.4 MPa, and three equivalence ratios (ϕ = 0.5, 1.0, and 1.5) for NH3/O2/Ar mixtures were tested. With increasing pressures from 0.1 MPa to 0.4 MPa, the measured NH3 fractions decrease and the measured N2O mole fractions below Tw, max = 1250 K increase, which were found for all ϕ cases considered and more significant at ϕ = 0.5. Rates of production analyses reveal that OH production through R130: NO + HO2 = NO2 + OH is significantly enhanced at elevated pressures by a radical sensitization through NO and NO2 (i.e., net reactions of R130, NH2 + NO2 = H2NO + NO, H2NO + O2 = HNO + HO2, and HNO + O2 = NO + HO2). The sensitization is induced by NO originating from the fuel NH3 itself but without NO addition (i.e., self-induced radical sensitization through NO and NO2), which is more active at the temperature range of around 1200–1300 K. By decreasing ϕ, OH production through the self-induced radical sensitization is enhanced because HO2 consumption increases via R130 and decreases via NH2 + HO2 = HNO + H2O. Additionally, as pressure increases, the onset of N2O production shifts to lower temperatures, at which N2O decomposition is much slower, resulting in a larger N2O mole fraction at a higher pressure.

有关氨(NH3)氧化的实验研究数量迅速增加。然而,与常压下的数据相比,高压下的物种数据仍然有限。本研究旨在通过在温度曲线受控的微流反应器(MFR)中对 NH3、H2、N2O 和 NO 进行物种测量,了解氨在中温和高压条件下的氧化情况。MFR 中的最高壁温和压力在 Tw(max = 1100-1400 K,P = 0.1-0.4 MPa)范围内变化,并测试了 NH3/O2/Ar 混合物的三种当量比(j = 0.5、1.0 和 1.5)。随着压力从 0.1 MPa 到 0.4 MPa 的增加,测得的 NH3 分数降低,而在 Tw, max = 1250 K 以下测得的 N2O 摩尔分数增加。生成速率分析表明,通过 R130 产生 OH:NO + HO2 = NO2 + OH,通过 NO 和 NO2 的自由基敏化作用(即 R130 的净反应:NH2 + NO2 = H2NO + NO、H2NO + O2 = HNO + HO2 和 HNO + O2 = NO + HO2),在高压下显著增强。这种敏化作用是由来自燃料 NH3 本身的 NO 诱导的,但没有添加 NO(即通过 NO 和 NO2 的自诱导自由基敏化作用),在 1200-1300 K 左右的温度范围内更为活跃。通过降低 ϕ,自诱导自由基敏化作用产生的 OH 会增强,因为通过 R130 消耗的 HO2 会增加,而通过 NH2 + HO2 = HNO + H2O 消耗的 HO2 会减少。此外,随着压力的升高,N2O 的生成开始转移到较低的温度,而在较低温度下 N2O 的分解速度要慢得多,从而导致在较高压力下 N2O 的摩尔分数增大。
{"title":"Self-induced radical sensitization in ammonia oxidation at intermediate temperatures and elevated pressures","authors":"","doi":"10.1016/j.combustflame.2024.113658","DOIUrl":"10.1016/j.combustflame.2024.113658","url":null,"abstract":"<div><p>The number of experimental studies on ammonia (NH<sub>3</sub>) oxidation has rapidly increased. However, species data at elevated or high pressures are still limited compared to those at atmospheric pressures. The study aims to understand ammonia oxidation under intermediate-temperature and elevated-pressure conditions by conducting species measurements of NH<sub>3</sub>, H<sub>2</sub>, N<sub>2</sub>O, and NO in a micro flow reactor with a controlled temperature profile (MFR). The maximum wall temperatures and pressures in the MFR were varied in a range of <em>T</em><sub>w, max</sub> = 1100–1400 K and <em>P</em> = 0.1–0.4 MPa, and three equivalence ratios (<em>ϕ</em> = 0.5, 1.0, and 1.5) for NH<sub>3</sub>/O<sub>2</sub>/Ar mixtures were tested. With increasing pressures from 0.1 MPa to 0.4 MPa, the measured NH<sub>3</sub> fractions decrease and the measured N<sub>2</sub>O mole fractions below <em>T</em><sub>w, max</sub> = 1250 K increase, which were found for all <em>ϕ</em> cases considered and more significant at <em>ϕ</em> = 0.5. Rates of production analyses reveal that OH production through R130: NO + HO<sub>2</sub> = NO<sub>2</sub> + OH is significantly enhanced at elevated pressures by a radical sensitization through NO and NO<sub>2</sub> (i.e., net reactions of R130, NH<sub>2</sub> + NO<sub>2</sub> = H<sub>2</sub>NO + NO, H<sub>2</sub>NO + O<sub>2</sub> = HNO + HO<sub>2</sub>, and HNO + O<sub>2</sub> = NO + HO<sub>2</sub>). The sensitization is induced by NO originating from the fuel NH<sub>3</sub> itself but without NO addition (i.e., self-induced radical sensitization through NO and NO<sub>2</sub>), which is more active at the temperature range of around 1200–1300 K. By decreasing <em>ϕ</em>, OH production through the self-induced radical sensitization is enhanced because HO<sub>2</sub> consumption increases via R130 and decreases via NH<sub>2</sub> + HO<sub>2</sub> = HNO + H<sub>2</sub>O. Additionally, as pressure increases, the onset of N<sub>2</sub>O production shifts to lower temperatures, at which N<sub>2</sub>O decomposition is much slower, resulting in a larger N<sub>2</sub>O mole fraction at a higher pressure.</p></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":null,"pages":null},"PeriodicalIF":5.8,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0010218024003675/pdfft?md5=c91ac882ef8f33b121b9058bfc9b29f4&pid=1-s2.0-S0010218024003675-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142047900","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
期刊
Combustion and Flame
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