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Systematic temperature error in RCARS diagnostics from improper Raman linewidths 拉曼线宽不合理导致RCARS诊断系统温度误差
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105842
Jonas I. Hölzer , Henry Misoi , Thomas Seeger
The coherent anti-Stokes Raman spectroscopy (CARS) stands as the standard for thermometry and major species detection and quantification in gas phase and combustion diagnostics. In recent years the database of empirical S-branch Raman linewidth for a variety of gases, gas mixtures and temperatures for rotational CARS spectroscopy has been significantly expanded. The Raman linewidths are of utmost importance for accurate extraction of thermodynamic information from the spectral information. However, unavailable correct linewidth data for rotational CARS evaluations are regularly substituted by approximated data for example by omission of the proper collisional environment or by using the vibrational Q-branch linewidth instead of the rotational S-branch linewidths. The resulting systematic errors by using incorrect linewidths have only been studied for a few selected cases which hint at a significant temperature error of up to 9 %. In this work we show a clear picture of the temperature and concentration errors resulting from incorrect linewidth data by evaluating the influence of S- vs. Q-branch linewidths in pure oxygen and self-broadening vs. accurate collisional environment in air and nitrogen-water vapor mixtures. The data show that the evaluated temperature is systematically too high by using Q-branch instead of S-branch linewidths in oxygen and nitrogen thermometry and a strong influence of the collisional environment on the temperature and species concentration determination.
相干反斯托克斯拉曼光谱(CARS)是气相和燃烧诊断中测温、主要物质检测和定量的标准。近年来,用于旋转CARS光谱的各种气体、混合气体和温度的经验s分支拉曼线宽数据库得到了显著的扩展。拉曼线宽对于从光谱信息中准确提取热力学信息至关重要。然而,不可用的旋转CARS评估的正确线宽数据通常由近似数据代替,例如,通过省略适当的碰撞环境或通过使用振动q分支线宽而不是旋转s分支线宽。由于使用不正确的线宽而产生的系统误差只在少数选定的情况下进行了研究,这些情况暗示了高达9%的显著温度误差。在这项工作中,我们通过评估纯氧和自展宽与空气和氮-水蒸气混合物中精确碰撞环境的S- vs. q分支线宽的影响,清楚地显示了由不正确的线宽数据引起的温度和浓度误差。数据表明,在氧氮测温中采用q支线宽代替s支线宽计算出的温度系统偏高,碰撞环境对温度和物质浓度的测定影响较大。
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引用次数: 0
Modeling uncertainties in primary zone soot predictions for a rich-quench-lean combustion system 富淬贫燃烧系统初级区烟尘预测的建模不确定性
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105805
Shubham Basavaraj Karpe, Suresh Menon
A comprehensive uncertainty quantification (UQ) of soot volume fraction (SVF) predictions in the primary zone of a Rich-Quench-Lean (RQL) combustor is presented, with particular emphasis on the modeling uncertainties in the rates of nucleation, growth, oxidation, condensation, and coagulation. Large-eddy simulations (LES) of soot formation in a realistic single-sector RQL combustor are first performed, and the local thermochemical data, along with the volumes of the zones containing the respective finite volume cells, are then used to construct a chemical reactor network (CRN) model. The CRN model, coupled with the UQ tool DAKOTA, is used to conduct forward UQ, sensitivity analysis, and inverse UQ. The forward UQ indicates variability ranging from 28 % to 89% around the mean soot prediction, depending on the location within the combustor. The local and global sensitivity analyses highlight the contributions of nucleation and condensation processes near the fuel injection zone, while growth and oxidation processes predominantly influence soot predictions in the primary zone. Since the baseline model underpredicts soot compared to experimental measurements, a Bayesian inference-based inverse UQ analysis is performed to identify sensitive input rate uncertainties that can improve the quantitative agreement with experimental soot levels. Thus, the overall strategy identifies the most influential aspects of the soot model, their relevant sensitivity to local zones within the combustor, and further refinements to the baseline rates that can provide valuable insights for future model developments.
提出了富淬贫(RQL)燃烧室初级区烟尘体积分数(SVF)预测的综合不确定性量化(UQ),特别强调了成核速率、生长速率、氧化速率、冷凝速率和混凝速率的建模不确定性。首先进行了真实的单扇形RQL燃烧室中烟灰形成的大涡模拟(LES),然后使用局部热化学数据以及包含相应有限体积单元的区域的体积来构建化学反应器网络(CRN)模型。利用CRN模型,结合UQ工具DAKOTA,进行正向UQ分析、灵敏度分析和逆UQ分析。前向UQ表明,根据燃烧室内的位置,平均烟尘预测的变化范围为28%至89%。局部和全局敏感性分析强调了燃料喷射区附近的成核和冷凝过程的贡献,而生长和氧化过程主要影响初级区域的烟尘预测。由于与实验测量相比,基线模型低估了煤烟的预测,因此进行了基于贝叶斯推理的逆UQ分析,以识别敏感的输入率不确定性,从而提高与实验煤烟水平的定量一致性。因此,总体战略确定了煤烟模型中最具影响力的方面,它们对燃烧室局部区域的相关敏感性,以及对基线率的进一步改进,可以为未来的模型开发提供有价值的见解。
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引用次数: 0
Probing the pyrolysis chemistry of cyclopentanol for renewable biofuel applications through experimental and modeling approaches with synchrotron photoionization 通过同步加速器光电离实验和建模方法探索环戊醇在可再生生物燃料中的热解化学应用
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105922
Zhi-Min Wang , Zi-Qiang Zhu , Qian-Peng Wang , Du Wang , Ling-Nan Wu , Zhi-Hao Zheng , Jie-Ming Lei , Chen-Yang Zhao , Xiao-Hong Gui , Zhan-Dong Wang , Zhen-Yu Tian
The pyrolysis of cyclopentanol (CPOH) at atmospheric pressure was studied in a jet-stirred reactor (JSR), and 20 intermediates and products were identified and quantified, including small olefins, aldehydes, ketones, and several aromatic species using synchrotron radiation photoionization mass spectrometry (SR-PIMS). A pyrolysis kinetics model involving 284 species and 1653 reactions was developed, providing reasonable predictions for the fuel consumption and pyrolytic products formation. Cyclopentene (C5H8), cyclopentadiene (C5H6), cyclopentadienyl radical (C5H5), and different positions of primary fuel radicals are the key intermediates in CPOH pyrolysis. Rate of production analysis shows that 90.0% CPOH is consumed by a water elimination reaction forming cyclopentene, then producing cyclopentadiene by the two-step dehydrogenation reaction. A significant amount of cyclopentadiene reacts with cyclopentadienyl radicals to produce various aromatic compounds, which explains the high mole fractions of aromatic species observed in CPOH pyrolysis. Sensitivity analysis shows that H-abstraction reactions of CPOH increase with the rising temperature, and α-site H-abstraction is the most favorable. The model was also validated ignition delay times and laminar burning velocity of CPOH, achieving reasonable predictions of the experimental data. These findings contribute to a better understanding of the pyrolysis of CPOH and the formation of polycyclic aromatic hydrocarbons (PAHs), providing a basis for further research on sustainable oxygenated biofuels and their applications.
采用喷气搅拌反应器(JSR)对常压下环戊醇(CPOH)的热解过程进行了研究,并利用同步辐射光电离质谱(SR-PIMS)对20种中间体和产物进行了鉴定和定量,包括小烯烃、醛类、酮类和几种芳香族物质。建立了包含284种物质和1653种反应的热解动力学模型,对燃料消耗和热解产物生成进行了合理的预测。环戊烯(C5H8)、环戊二烯(C5H6)、环戊二烯基自由基(C5H5)以及不同位置的一次燃料自由基是CPOH热解的关键中间体。产率分析表明,90.0%的CPOH经消水反应生成环戊烯,再经两步脱氢反应生成环戊二烯。大量的环戊二烯与环戊二烯自由基反应生成各种芳香族化合物,这解释了在CPOH热解过程中观察到的高摩尔芳香族化合物的原因。灵敏度分析表明,CPOH的吸氢反应随着温度的升高而增加,其中α-位吸氢最有利。模型还验证了CPOH的点火延迟时间和层流燃烧速度,实现了对实验数据的合理预测。这些发现有助于更好地了解CPOH的热解和多环芳烃(PAHs)的形成,为进一步研究可持续含氧生物燃料及其应用提供基础。
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引用次数: 0
Unique phase change behaviors of ammonia droplets under varying ambient water vapor concentrations and pressures: A molecular dynamics simulation study 氨滴在不同环境水蒸气浓度和压力下的独特相变行为:分子动力学模拟研究
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105897
Feilong Chen, Yanzhi Zhang, Xuehao Zhang, Ming Jia
This study employs molecular dynamics (MD) simulations to study the effect of polar water vapor on the phase change characteristics of ammonia droplets under varying ambient pressures. First, a new flexible potential model for ammonia was developed based on first-principles calculations. Then, the accuracy of this model in predicting the thermodynamic and transport properties of ammonia was extensively validated. Consequently, MD simulations using the new potential model were conducted to explore phase change behaviors of ammonia droplets under different ambient environments. The results reveal that both elevated ambient pressures and increased water vapor concentrations can promote the ammonia droplet evaporation. A unique phase change behavior of ammonia droplets in nitrogen/water environments was observed. Specifically, the polar water vapor dissolves and subsequently condenses within the ammonia droplet, thereby facilitating a transition from the ammonia-dominated evaporation to the water-dominated evaporation. Moreover, the dissolution and condensation become more intense at higher initial water vapor concentrations or pressures. Finally, the specific mechanisms by which water vapor enhances ammonia droplet evaporation were explored. During the dissolution and condensation process, water vapor releases latent heat and increases thermal conductivity, raising the droplet temperature. Additionally, water weakens the hydrogen bonding among ammonia molecules, thereby lowering the evaporation energy barrier. These findings provide essential insights into the phase change mechanisms of liquid ammonia and their dependence on ambient conditions.
本研究采用分子动力学(MD)模拟研究了不同环境压力下极性水蒸气对氨滴相变特性的影响。首先,基于第一性原理计算建立了氨的柔性电位模型。然后,广泛验证了该模型在预测氨的热力学和输运性质方面的准确性。因此,利用新的电位模型进行了MD模拟,探讨了氨滴在不同环境下的相变行为。结果表明,环境压力的升高和水汽浓度的增加都能促进氨滴的蒸发。氨滴在氮/水环境中具有独特的相变行为。具体来说,极性水蒸气溶解并随后在氨液滴内凝结,从而促进了从氨主导蒸发到水主导蒸发的转变。此外,在较高的初始水蒸气浓度或压力下,溶解和冷凝变得更加强烈。最后,探讨了水蒸气促进氨滴蒸发的具体机理。在溶解和凝结过程中,水蒸气释放潜热,增加导热系数,提高液滴温度。此外,水削弱了氨分子之间的氢键,从而降低了蒸发能垒。这些发现为了解液氨的相变机制及其对环境条件的依赖提供了重要的见解。
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引用次数: 0
Thermoacoustic instability in two acoustically coupled hydrogen-enriched combustors 两个声耦合富氢燃烧室的热声不稳定性
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105914
Yu Liao , Yuxin Lei , Yongseok Choi , Peijin Liu , Kyu Tae Kim , Yu Guan
This study experimentally investigates the potential of tuning acoustic coupling to passively suppress thermoacoustic oscillations in lean-premixed hydrogen-enriched can-annular combustors. Our findings demonstrate that thermoacoustic oscillations in the coupled system can be suppressed by up to 90% compared to the decoupled self-excited baseline, achieved by deliberately mismatching the flame response and chamber acoustics. This mismatch is achieved through hydrogen enrichment and modifications to the acoustic coupling configurations and combustor geometry. As the hydrogen volume fraction increases, the flame preferentially responds to higher frequencies, while the overall “Π-shaped” acoustic chamber formed by coupling the two identical combustors via cross-talk (XT) sections favors lower acoustic eigenfrequencies, particularly for longer combustors or when XT sections are located further downstream. The amplitude and frequency of the dominant half-wave anti-phase longitudinal mode (i.e., a push-pull mode) are strongly influenced by this mismatch, and a regime of oscillation suppression emerges when the mismatch is maximized, specifically at the highest hydrogen volume fraction and the longest combustor length. The axial location of the most upstream XT defines the total effective length of the “Π-shaped” acoustic domain, whereas multiple XTs increase the effective acoustic interaction area between the combustors, thereby reducing acoustic resistance and enhancing coupling. This intensified coupling strengthens or triggers the push-pull mode, resulting in pronounced thermoacoustic oscillations and highlighting the importance of accounting for such effects when assessing the stability of individual combustors for integration into can-annular configurations. In summary, this study underscores the critical role of both flame response and acoustic coupling in governing thermoacoustic behavior and demonstrates that careful tailoring of these factors offers a simple yet effective passive strategy to suppress instabilities in hydrogen-enriched can-annular combustion systems, thereby supporting the development of cleaner and more stable heavy-duty gas turbines.
本研究通过实验研究了调节声耦合被动抑制贫预混富氢罐环燃烧室热声振荡的潜力。我们的研究结果表明,与去耦自激基线相比,耦合系统中的热声振荡可以被抑制高达90%,这是通过故意不匹配火焰响应和腔室声学来实现的。这种不匹配是通过富氢和修改声学耦合配置和燃烧室几何形状来实现的。随着氢体积分数的增加,火焰优先响应更高的频率,而由两个相同的燃烧室通过串扰(XT)段耦合形成的整体“Π-shaped”声室有利于较低的声学特征频率,特别是对于较长的燃烧室或当XT段位于较下游时。主导半波反相纵向模式(即推挽模式)的振幅和频率受到这种不匹配的强烈影响,并且当不匹配最大化时,特别是在最高氢体积分数和最长燃烧室长度时,振荡抑制出现。最上游XT的轴向位置决定了“Π-shaped”声域的总有效长度,而多个XT增加了燃烧室之间的有效声相互作用面积,从而降低了声阻,增强了耦合。这种强化的耦合增强或触发了推拉模式,导致明显的热声振荡,并强调了在评估单个燃烧室的稳定性时考虑这种影响的重要性。总之,本研究强调了火焰响应和声耦合在控制热声行为中的关键作用,并表明仔细定制这些因素提供了一种简单而有效的被动策略来抑制富氢罐环燃烧系统的不稳定性,从而支持更清洁和更稳定的重型燃气轮机的发展。
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引用次数: 0
Nanosecond pulsed discharges for reliable ignition of ultra-lean hydrogen-air mixtures 纳秒脉冲放电的可靠点火超贫氢-空气混合物
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105840
Galia Faingold, Leander Krieg, Francis Pagaud, Quentin Malé, Nicolas Noiray
The safe ignition and stabilization of ultra-lean hydrogen-air mixtures remain a critical challenge for enabling low-emission hydrogen combustion in gas turbines. This study investigates nanosecond repetitively pulsed discharges for reliable ignition under conditions relevant to lean-premixed hydrogen operation. Experiments were conducted in a modular combustion rig, where the influence of plasma parameters – including pulse energy, pulse repetition frequency, and pulse number – on ignition and flame kernel development was systematically explored. High-speed OH chemiluminescence imaging tracked ignition kernel formation and propagation, while optical emission spectroscopy provided characterization of the plasma properties. For equivalence ratios of ϕ=0.150.2, successful ignition is mostly a function of pulse energy, more than pulse number, with a clear transition from non-ignition to reliable ignition observed above a critical energy threshold. This transition coincides with the change from glow to spark regime. Rather than showing a probabilistic ignition behavior, ignition occurs reliably in the spark regime, and fails at the transition to glow. Optical emission spectroscopy measurements of gas and vibrational temperatures indicate that this shift coincides with an increased production of radicals rather than vibrational excitation, which are more effective in enhancing ignition. For equivalence ratios of ϕ=0.086 and 0.1, kernels were created but did not expand in the flowing mixture, and the interaction between pulses — pulse number and repetition frequency became critical. At these ultra-lean conditions, these interactions enable the formation of larger ignition kernels that are less prone to extinction. These findings demonstrate that nanosecond repetitively pulsed based plasma-assisted ignition can significantly extend the ignition limits of lean hydrogen mixtures, offering a promising pathway for stabilizing ultra-lean hydrogen combustion with minimized NOx emissions. Moreover, the ability to reliably ignite ultra-lean mixtures is highly relevant for hydrogen internal combustion engines, where consistent ignition at low equivalence ratios is crucial to reducing cycle-to-cycle variability and improving efficiency.
超稀薄氢-空气混合物的安全点火和稳定仍然是实现燃气轮机低排放氢燃烧的关键挑战。本文研究了在稀薄预混氢操作条件下,纳秒重复脉冲放电的可靠点火。在模块化燃烧装置上进行了实验,系统地探索了等离子体参数(脉冲能量、脉冲重复频率和脉冲数)对点火和火焰核发展的影响。高速OH *化学发光成像跟踪了点火核的形成和传播,而光学发射光谱提供了等离子体特性的表征。对于等效比φ =0.15−0.2,成功点火主要是脉冲能量的函数,而不是脉冲数,在临界能量阈值以上观察到从不点火到可靠点火的明显转变。这种转变与从发光到火花的变化一致。而不是显示一个概率点火行为,点火发生可靠的火花制度,并在过渡到发光失败。气体和振动温度的光学发射光谱测量表明,这种变化与自由基产生的增加而不是振动激发相一致,振动激发在增强点火方面更有效。对于等效比的φ =0.086和0.1,内核被创建,但没有扩大在流动的混合物,和脉冲之间的相互作用-脉冲数和重复频率变得至关重要。在这些超稀薄的条件下,这些相互作用使形成更大的点火核,不易熄灭。这些发现表明,基于纳秒重复脉冲的等离子体辅助点火可以显著延长贫氢混合物的点火极限,为稳定超低NOx排放的超贫氢燃烧提供了一条有希望的途径。此外,可靠地点燃超稀混合物的能力与氢内燃机高度相关,在低当量比下持续点火对于减少循环间的可变性和提高效率至关重要。
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引用次数: 0
Influence of discrete injection on asymptotic and transient dynamics of rotating detonation engines 离散喷射对旋转爆震发动机渐近和瞬态动力学的影响
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105814
Trevor Kickliter , Eli Young , Vishal Acharya , Tim Lieuwen
Rotating detonation engines (RDEs) promise improved thermodynamic efficiency over traditional combustion engines, improved energy density, mechanical simplicity, and continuous operation. Nevertheless, several questions remain on how to optimize these devices. The injection system governs the dynamics of these systems through several, crucial mechanisms. These include the creation of a spatially varying reactant field and wave scattering off injectors. However, how these dynamics influence the number of detonations, presence of counter-propagating detonations, or other wave features is not well understood. This lack of understanding prevents the creation of general guidelines for designing the injection system. To address these obstacles, we studied a 2-dimensional “unwrapped” computational model of an RDE with simplified reaction kinetics and injector physics. The inlet consisted of equally spaced zones of constant mass flux (“injectors”) separated by isothermal walls. The number and area ratio of these injectors were varied over several individual simulations, and the impacts of these parameters were assessed. Results revealed that discrete injection introduces multiple physical processes – such as variable acoustic impedance, promotion of hot spots between injectors, and periodic de- and re-coupling of detonations – that increase the propensity for multiple detonations. Higher injector numbers and decreased area ratio tend to promote more detonations. Nevertheless, this relationship was non-monotonic, and further testing showed that additional wave modes besides those observed were stable. These wave modes appear to have definite, albeit topologically complex, basins of attraction — i.e., the system favors certain modes over others, but their link to the initial conditions is difficult to characterize. We therefore hypothesize that wave number is governed by the interplay between transient chaos during the initial transient and the new physics introduced by the injection system.
与传统内燃机相比,旋转爆震发动机(RDEs)的热力学效率更高,能量密度更高,机械简单,操作更连续。然而,如何优化这些设备仍然存在几个问题。注入系统通过几个关键的机制来控制这些系统的动力学。这些问题包括产生空间变化的反应物场和注入器的波散射。然而,这些动力学如何影响爆炸的次数,反传播爆炸的存在,或其他波的特征还不是很清楚。这种认识的缺乏阻碍了设计注射系统的一般指导方针的建立。为了解决这些问题,我们研究了一个具有简化反应动力学和注入器物理特性的RDE二维“解包裹”计算模型。入口由等温壁分隔的等距恒定质量通量区域(“注入器”)组成。在几个单独的模拟中,这些喷射器的数量和面积比发生了变化,并评估了这些参数的影响。结果表明,离散注入引入了多种物理过程,如可变声阻抗、喷油器之间热点的促进以及爆轰的周期性分离和再耦合,这些都增加了多重爆轰的倾向。喷油器数量越多,面积比越小,爆轰次数越多。然而,这种关系是非单调的,进一步的测试表明,除了观察到的其他波模是稳定的。尽管拓扑结构复杂,但这些波浪模式似乎具有明确的吸引力盆地——即,系统倾向于某些模式而不是其他模式,但它们与初始条件的联系很难表征。因此,我们假设波数是由初始瞬态过程中的瞬态混沌和注入系统引入的新物理之间的相互作用决定的。
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引用次数: 0
Examining fire spread dynamics in canyon terrain through physics-based modeling: Mechanisms of fire line rotation and non-local fire behavior 通过基于物理的建模检查峡谷地形的火灾蔓延动力学:火线旋转和非局部火灾行为的机制
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105802
Karl Töpperwien , Qing Wang , Yi-Fan Chen , Cenk Gazen , John Anderson , Matthias Ihme
Wildfire spread in complex terrain poses a major challenge for predictive modeling, as interactions between topography, wind, and combustion give rise to erratic fire behavior that caused fatalities among fire fighters. This study investigates the spread dynamics of a canyon fire exhibiting a characteristic fire line rotation, wherein the fire front progresses downslope along the canyon side-walls, perpendicular to the nominal wind direction. Using large-eddy simulations with a physics-based mesoscale solver, we model coupled fire–atmosphere–terrain interactions over kilometer-scale domains to resolve the three-dimensional flow and combustion structures governing fire spread. We consider a canyon terrain and compare it against two simpler configurations: a sloped ramp and a flat surface. Analysis of fire arrival times reveals that, despite identical ridge slopes, the canyon induces distinctly different spread behavior, resulting in oblique propagation along the canyon side-walls and intermittent progression in the valley. A detailed examination of flow field quantities attributes these phenomena to terrain-induced wind/slope misalignment and localized vorticity amplification, which persists after fire front passage and promotes extreme fire behavior. Furthermore, we demonstrate that the fire rate of spread in complex terrain is inherently non-local: individual sections of the fire line are influenced by neighboring segments, transient flow structures, and topographic features. Overall, our findings highlight the critical role of topography in modulating fire dynamics and provide physical insights into the mechanisms driving extreme fire behavior in canyon-like environments.
野火在复杂地形中的蔓延对预测建模提出了重大挑战,因为地形、风和燃烧之间的相互作用会导致火灾行为不稳定,导致消防员死亡。本研究研究了峡谷火灾的传播动力学,它表现出一种特征火线旋转,其中火锋沿着峡谷侧壁向下发展,垂直于名义风向。利用基于物理的中尺度求解器进行大涡模拟,我们在千米尺度上模拟了火-大气-地形的耦合相互作用,以解决控制火势蔓延的三维流动和燃烧结构。我们考虑峡谷地形,并将其与两种更简单的配置进行比较:倾斜的坡道和平坦的表面。对火灾到达时间的分析表明,尽管山脊坡度相同,但峡谷的蔓延行为明显不同,导致沿峡谷侧壁的斜传播和山谷中的间歇性传播。对流场量的详细研究将这些现象归因于地形诱导的风/斜坡错位和局部涡度放大,这些现象在火锋通过后持续存在,并促进了极端的火灾行为。此外,我们证明了复杂地形中的火势蔓延速度本质上是非局部的:火线的各个部分受到邻近部分、瞬态流结构和地形特征的影响。总的来说,我们的研究结果强调了地形在调节火灾动力学中的关键作用,并为在类似峡谷的环境中驱动极端火灾行为的机制提供了物理见解。
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引用次数: 0
A combined experimental and numerical investigation focusing on the effects of CH3 substituent on the PAH chemistry in the pyrolysis of cyclopentane and methylcyclopentane 研究了CH3取代基对环戊烷和甲基环戊烷热解过程中多环芳烃化学反应的影响
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/j.proci.2025.105857
Qian-Peng Wang , Du Wang , Ling-Nan Wu , Jiu-Jie Kuang , Qing-Bo Zhu , Shu-Yao Chen , Xiang Gao , Cheng-Yin Ye , Zhan-Dong Wang , Marina Braun-Unkhoff , Zhen-Yu Tian
The combustion behavior of cycloalkanes has long fascinated researchers because their cyclic unique structural properties may significantly influence their reactivity and combustion kinetics. In order to achieve a better understanding of the kinetics of cycloalkanes during intermediate to high temperature combustion chemistry, the pyrolysis of cyclopentane (CP) and methylcyclopentane (MCP) was studied in a jet-stirred reactor (869–1210 K, 1 atm) to explore the impact of methyl substituents on polycyclic aromatic hydrocarbon (PAH) formation and combustion kinetics. Synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) identified monocyclic to polycyclic aromatics, including acenaphthylene, phenanthrene, and pyrene. A newly developed kinetic model, validated against experimental data, revealed distinct decomposition behaviors: MCP exhibited lower initial decomposition temperatures and faster formation of C1–C4 hydrocarbons and aromatics compared to CP. This is attributed to the methyl group’s lower energy barrier, enhancing MCP’s reactivity. While CP pyrolysis generated higher concentrations of 1,3-cyclopentadiene and resonance-stabilized C5 cyclic radicals, these intermediates did not notably elevate PAH levels. In contrast, MCP’s methyl side chain promoted earlier fuel breakdown and accelerated PAH/soot precursor formation via enhanced radical production and alkylation pathways. These findings highlight that methyl substitution in cycloalkanes lowers thermal stability, accelerates decomposition, and amplifies aromatic growth, emphasizing structural effects on combustion chemistry and pollutant formation. The study provides critical insights into fuel design and emission control strategies for cyclic hydrocarbons.
环烷烃的燃烧行为一直吸引着研究人员,因为其独特的环结构性质可能会显著影响其反应性和燃烧动力学。为了更好地了解环烷烃在中高温燃烧化学过程中的动力学,在喷射搅拌反应器(869-1210 K, 1 atm)上研究了环戊烷(CP)和甲基环戊烷(MCP)的热解过程,探讨了甲基取代基对多环芳烃(PAH)形成和燃烧动力学的影响。同步加速器真空紫外光电离质谱(SVUV-PIMS)鉴定了单环到多环芳烃,包括苊、菲和芘。根据实验数据验证的新开发的动力学模型揭示了不同的分解行为:与CP相比,MCP具有更低的初始分解温度,更快地形成C1-C4碳氢化合物和芳烃,这归因于甲基较低的能势,增强了MCP的反应活性。虽然CP热解产生了较高浓度的1,3-环戊二烯和共振稳定的C5环自由基,但这些中间体并没有显著提高PAH水平。相反,MCP的甲基侧链通过增强自由基生成和烷基化途径,促进了燃料的早期分解,加速了PAH/煤烟前体的形成。这些发现强调了环烷烃中的甲基取代降低了热稳定性,加速了分解,并放大了芳香生长,强调了结构对燃烧化学和污染物形成的影响。该研究为循环碳氢化合物的燃料设计和排放控制策略提供了重要见解。
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引用次数: 0
Volume Title Page - Editor listing 卷标题页-编辑器列表
IF 5.2 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-01-01 DOI: 10.1016/S1540-7489(25)00204-4
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引用次数: 0
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Proceedings of the Combustion Institute
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