Combustion and Flame最新文献

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Investigation of NH* chemiluminescence and NO formation mechanisms in CH4/NH3 co-flow diffusion flames: A computational kinetic perspective CH4/NH3共流扩散火焰中NH*化学发光和NO形成机制的研究:计算动力学视角
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-11 DOI: 10.1016/j.combustflame.2025.114462
Yang Liu , Qinghua Guo , Yan Gong , Guangsuo Yu
{"title":"Investigation of NH* chemiluminescence and NO formation mechanisms in CH4/NH3 co-flow diffusion flames: A computational kinetic perspective","authors":"Yang Liu ,&nbsp;Qinghua Guo ,&nbsp;Yan Gong ,&nbsp;Guangsuo Yu","doi":"10.1016/j.combustflame.2025.114462","DOIUrl":"10.1016/j.combustflame.2025.114462","url":null,"abstract":"<div><div>NH*, a characteristic radical in ammonia-blended flames, is a critical parameter for evaluating combustion efficiency and kinetic characteristics through its chemiluminescence properties. In this work, numerical investigations were conducted on NH* chemiluminescence and NO formation mechanisms in CH<sub>4</sub>/NH<sub>3</sub> diffusion flames at different ammonia blending ratios using a modified Okafor 2018 reaction mechanism. A two-dimensional distribution of NH* chemiluminescence was obtained using a spectral detection platform with 337 nm and 355 nm filters for NH* background radiation subtraction. The NH* emission was mainly concentrated in the upstream region of the diffusion flame near the fuel outlet, and the peak intensity showed a non-monotonic variation with increasing ammonia blending ratio-initially rising and then decaying. It was found that the collisional quenching reactions NH* + M&lt;=&gt;NH + M and NH* + NH<sub>3</sub>&lt;=&gt;NH + NH<sub>3</sub> were considered the main quenching pathways for NH* in CH<sub>4</sub>/NH<sub>3</sub> flames. The generation reactions were N<sub>2</sub>* + NH&lt;=&gt;N<sub>2</sub>+ NH* and CH + NO&lt;=&gt;NH* + CO. HNO, NH and NH<sub>2</sub> were the key species influencing NO generation and consumption. The main generation reactions of HNO were NH + OH&lt;=&gt;HNO + H and NH<sub>2</sub> + O&lt;=&gt;HNO + H, which gradually increased with increasing ammonia blending ratio. In addition, the correlation between NH* and NO distribution was analyzed. NH* can characterize the distribution core of NO.</div><div><strong>Novelty and significance statement:</strong> The first development of a refined kinetic mechanism integrating detailed NH*/N<sub>2</sub>* mechanisms with the Okafor mechanism was presented, overcoming the critical limitation in existing models for predicting NH* chemiluminescence in the ammonia flame. This provided a validated tool for quantitative analysis of radicals in CH<sub>4</sub>/NH<sub>3</sub> combustion systems. NH* chemiluminescence was identified as a novel optical marker for characterizing ammonia combustion dynamics in our study, with previously unreported correlations between NH* formation, quenching processes, and ammonia blending ratios being revealed. It established a new methodology for non-intrusive monitoring of ammonia-blended combustion. Furthermore, we elucidated of the dual-phase relationship between NH* evolution and NO formation pathways, uncovering the key mechanisms and two-dimensional distribution patterns of pollutant NO. These findings provided important insights for developing spectroscopy-based optimization strategies to enhance combustion efficiency and reduce NO emissions in ammonia-blended flames.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114462"},"PeriodicalIF":6.2,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045403","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
Enhanced detonation shock dynamics prediction for curvature-driven detonation propagation in annular channels 环形通道曲率驱动爆震传播的增强爆震动力学预测
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-11 DOI: 10.1016/j.combustflame.2025.114456
Kang Tang , Gang Dong , Zhenhua Pan , Mingyue Gui
{"title":"Enhanced detonation shock dynamics prediction for curvature-driven detonation propagation in annular channels","authors":"Kang Tang ,&nbsp;Gang Dong ,&nbsp;Zhenhua Pan ,&nbsp;Mingyue Gui","doi":"10.1016/j.combustflame.2025.114456","DOIUrl":"10.1016/j.combustflame.2025.114456","url":null,"abstract":"<div><div>This study extends the Detonation Shock Dynamics (DSD) theory, originally developed for condensed-phase explosives, to predict the steady propagation of curved gaseous detonation waves in an annular channel filled with C₂H₂/O₂/Ar mixtures. The theory framework couples a steady-state level-set formulation with a <em>D</em><sub>n</sub> − <em>κ</em> relationship derived from a generalized ZND model, and incorporates shock polar analysis to impose the outer wall boundary condition. This enables the computation of the detonation shock front’s steady shape and angular velocity. The model is validated against two-dimensional simulations using the same detailed chemical kinetics. Results show that, for a fixed inner radius of the annular channel and initial pressures from 10 to 80 kPa, when outer radius of the annular channel (<em>r</em><sub>o</sub>) is larger than a critical radius (<em>r</em><sub>cr1</sub>), the angular velocity of propagating detonation wave predicted by the DSD method remains invariant with respect to variations in <em>r</em><sub>o</sub> or the outer wall normal angle (<em>φ</em><sub>o</sub>). To address underprediction of the angular velocity at low pressures, an enhanced <em>D</em><sub>n</sub> − <em>κ</em> relationship is proposed to account for effect induced by transverse wave collisions. The improved model demonstrates excellent agreement with simulations across all tested pressures. Two critical outer radii are identified: a lower limit radius (<em>r</em><sub>cr1</sub>) reflecting the extent of the Detonation-Driven Zone (DDZ) and an upper limit radius (<em>r</em><sub>cr2</sub>) associated with the transition in shock reflection modes. These radii define the annular width range that supports self-similar detonation propagation. The results underscore the potential of the DSD method as a fast and reliable tool for optimizing annular combustion chamber design in rotating detonation engines (RDEs).</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114456"},"PeriodicalIF":6.2,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045402","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
Neural network-based 3D reconstruction of temperature and velocity for turbulent flames from 2D measurements 基于神经网络的二维湍流火焰温度和速度三维重建
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-10 DOI: 10.1016/j.combustflame.2025.114454
Shiyu Liu, Haiou Wang, Kun Luo, Jianren Fan
{"title":"Neural network-based 3D reconstruction of temperature and velocity for turbulent flames from 2D measurements","authors":"Shiyu Liu,&nbsp;Haiou Wang,&nbsp;Kun Luo,&nbsp;Jianren Fan","doi":"10.1016/j.combustflame.2025.114454","DOIUrl":"10.1016/j.combustflame.2025.114454","url":null,"abstract":"<div><div>Three-dimensional (3D) high-resolution data of temperature and velocity are crucial for achieving a fundamental understanding of turbulent flames. However, existing combustion diagnostics are predominantly limited to the measurements at a point, along a line, or in a two-dimensional (2D) plane. In the present work, for the first time, the potential of neural networks for 3D reconstruction of turbulent combustion based on 2D measurements is explored, aiming to reconstruct both 3D temperature and velocity fields using data from a limited number of 2D planes. First, a novel translation approach incorporating two vector-quantized variational autoencoders (VQ-VAE) and a diffusion transformer model is developed for 3D temperature reconstruction based on 2D temperature distributions. Then, a wavenumber-based physics-informed neural networks (WN-PINNs) framework is established to derive the 3D velocity fields constrained by the momentum equation using the reconstructed 3D temperature and the 2D velocity measurements. The performance of the proposed neural networks is evaluated on two different configurations of turbulent flames, including freely propagating planar premixed combustion and swirling premixed combustion. The reconstructed temperature and velocity are compared with the high-fidelity direct numerical simulation (DNS) data both qualitatively and quantitatively. This study highlights the great potential of machine learning methods for the 3D reconstruction of turbulent flame fields, and provides new insights for the development of complementary tools for conventional diagnostic techniques to alleviate the challenges of 3D measurements in combustion research.</div><div><strong>Novelty and significance</strong></div><div>In the present work, the feasibility of using neural networks for 3D reconstruction of turbulent combustion from a limited number of 2D planes has been explored. A novel translation approach with transfer learning and a wavenumber-based physics- informed neural network framework have been established for 3D reconstruction of both temperature and velocity fields, which is the first of its kind. The proposed neural networks have demonstrated the capability to recover the flow and flame structures, with good agreement compared to high-fidelity direct numerical simulation data. The study highlight the potential of neural networks in bridging the gap between 2D measurements and 3D reconstructions for both scalar and velocity fields, offering new insights in the development of complementary tools for traditional combustion diagnostics.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114454"},"PeriodicalIF":6.2,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045401","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
Cellular stability of hydrogen–oxygen detonation 氢-氧爆炸的细胞稳定性
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-07 DOI: 10.1016/j.combustflame.2025.114417
Jonathan Timo Lipkowicz , Jackson Crane , Xian Shi , Irenaeus Wlokas , Hai Wang , Andreas Markus Kempf
{"title":"Cellular stability of hydrogen–oxygen detonation","authors":"Jonathan Timo Lipkowicz ,&nbsp;Jackson Crane ,&nbsp;Xian Shi ,&nbsp;Irenaeus Wlokas ,&nbsp;Hai Wang ,&nbsp;Andreas Markus Kempf","doi":"10.1016/j.combustflame.2025.114417","DOIUrl":"10.1016/j.combustflame.2025.114417","url":null,"abstract":"<div><div>A detonation cellular stability mechanism based on the dynamics of reactive decaying blasts is examined through detailed analyses of two-dimensional (2D) numerical simulations of hydrogen-oxygen detonations. Different from previous blast-based examinations, we resolve the transient process of decoupling between shock and reaction fronts in decaying blasts, and correlate the size of unburnt gas mixtures behind decaying shocks to that of the subsequent blast kernels. The impact on the stability mechanism of (1) chemical kinetics, (2) diffusive processes, and (3) boundary conditions are examined through a series of simulations. At a dopant level, ozone is known to reduce ignition delay without altering thermodynamic properties of the mixture, enabling investigation of the impact of ignition kinetics on the cellular stability. The addition of ozone leads to a stronger coupling between shock and reaction fronts and stabilizes the blast kernel to a smaller size. The resulting global cell size reduction in the ozonated detonation is well described by the stability analysis and in agreement with experimental cell measurements reported in Crane <em>et al.</em>, <em>Combust. Flame</em> 200 (2019) 44–52. The inclusion of diffusive physics marginally affects the detonation cellular structure, but causes a global propagation speed deficit. Results from two channel heights show that cell size increases in the smaller channel due to mode-locking. A detailed grid convergence study is performed, which examines both kinetic and macroscopic structural features as a function of grid resolution. The results of the stability analysis is independent of numerical grid resolution.</div><div><strong>Novelty and Significance Statement</strong></div><div>This work develops a novel theory for detonation cellular stability, enabling the prediction of detonation cell size and instabilities. Theory validation leverages the statistical analysis of blast propagation and decoupling, which is an entirely new way of post-processing detonation simulation. This work also presents the first time, to our knowledge, the link between molecular viscosity and cellular structure has been isolated, accomplished through a set of simulations using both Navier-Stokes and Euler equations, and several boundary conditions. This work is impactful because it enables and validates the modeling of detonation propagation behavior using a blast-based construct. This blast-based construct is many orders of magnitude less expensive as compared to conventional CFD.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114417"},"PeriodicalIF":6.2,"publicationDate":"2025-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010141","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
Consumable embedded microwave Antenna in AP/HTPB propellant to focus energy at the reaction front AP/HTPB推进剂中可消耗的嵌入式微波天线将能量集中在反应前沿
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-06 DOI: 10.1016/j.combustflame.2025.114304
Keren Shi, Erik Hagen, Yujie Wang, Michael R. Zachariah
{"title":"Consumable embedded microwave Antenna in AP/HTPB propellant to focus energy at the reaction front","authors":"Keren Shi,&nbsp;Erik Hagen,&nbsp;Yujie Wang,&nbsp;Michael R. Zachariah","doi":"10.1016/j.combustflame.2025.114304","DOIUrl":"10.1016/j.combustflame.2025.114304","url":null,"abstract":"<div><div>This study demonstrates a novel method to modulate the burn rate of AP/HTPB propellants by embedding a <em>consumable</em> microwave (MW) antenna, which can be directly coupled to a MW source. The tip of the antenna, which is being consumed, is thus always at the burning surface of the propellant and radiates MW energy to weakly absorbing HTPB. We found a significant increase in burn rate (up to ∼2X), with increasing MW power, despite the fact that the flame temperatures were unaffected. These results indicated that the function of the antenna was restricted to delivering power to the condensed phase. Electric field simulation indicates that the MW energy focused at the burning surface and along the axial direction along the MW antenna. This study shows that focusing on MW energy on the burning surface can be used to modulate burn rate of propellants by embedding a consumable MW antenna.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114304"},"PeriodicalIF":6.2,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004360","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 segregation of NH3 and H2 within the flame front in premixed turbulent combustion of NH3/H2/N2 blends NH3/H2/N2共混物预混湍流燃烧中火焰前缘NH3和H2的分离
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-05 DOI: 10.1016/j.combustflame.2025.114455
Nilanjan Chakraborty , Ruslan Khamedov , Hamid Kavari , Francisco E. Hernández-Pérez , Hong G. Im
{"title":"On the segregation of NH3 and H2 within the flame front in premixed turbulent combustion of NH3/H2/N2 blends","authors":"Nilanjan Chakraborty ,&nbsp;Ruslan Khamedov ,&nbsp;Hamid Kavari ,&nbsp;Francisco E. Hernández-Pérez ,&nbsp;Hong G. Im","doi":"10.1016/j.combustflame.2025.114455","DOIUrl":"10.1016/j.combustflame.2025.114455","url":null,"abstract":"<div><div>The study analyses the segregation of NH<sub>3</sub> and H<sub>2</sub> in globally lean premixed turbulent flames of NH<sub>3</sub>/H<sub>2</sub> fuel blends using direct numerical simulation (DNS) data of statistically planar turbulent flames. Turbulent premixed flames for two fuel blends, 60%NH<sub>3</sub>/25%H<sub>2</sub>/15%N<sub>2</sub> and 40%NH<sub>3</sub>/45%H<sub>2</sub>/15%N<sub>2</sub>, with an equivalence ratio of 0.81, were examined in the thin reaction zones regime. Differences in chemical reactivity and differential diffusion between NH<sub>3</sub> and H<sub>2</sub> lead to local variations in equivalence ratio within the flame, significantly affecting species distribution compared to one-dimensional (1D) laminar premixed flames. The equivalence ratio variation within the flame causes locally either stoichiometric or fuel-rich pockets despite the globally lean condition in the cases considered here. This also enables localised diffusion mode burning, which is stronger for H<sub>2</sub> in the 60%NH<sub>3</sub>/25%H<sub>2</sub>/15%N<sub>2</sub> blend, whereas it is stronger for NH<sub>3</sub> in the case of 40%NH<sub>3</sub>/45%/15%N<sub>2</sub> H<sub>2</sub> blend. The transition from lean premixed to non-premixed combustion at the rear end of the flame leads to the misalignment of the normal vectors of NH<sub>3</sub>, H<sub>2</sub>, and temperature isosurfaces, impacting reaction-diffusion balance. The displacement speeds of H<sub>2</sub> isosurfaces exceed those of NH<sub>3</sub>, leading to differences in effective normal strain rates, which along with local equivalence ratio variation, influence the behaviour of the scalar gradient magnitude. These findings suggest that the modelling of premixed combustion of NH<sub>3</sub>/H<sub>2</sub> blends must account for variable equivalence ratio combustion and non-premixed burning mode, even for globally lean mixtures.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114455"},"PeriodicalIF":6.2,"publicationDate":"2025-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004358","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
Experimental study on oxidation-chemistry of iso-propanol and tetrahydrofuran blends using a jet-stirred reactor 喷射搅拌反应器中异丙醇和四氢呋喃共混物氧化化学的实验研究
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-04 DOI: 10.1016/j.combustflame.2025.114365
Meenu Sharma, Mengdi Li, Solmaz Nadiri, Ajoy Ramalingam, Bo Shu, Ravi Fernandes, Kai Moshammer-Ruwe
{"title":"Experimental study on oxidation-chemistry of iso-propanol and tetrahydrofuran blends using a jet-stirred reactor","authors":"Meenu Sharma,&nbsp;Mengdi Li,&nbsp;Solmaz Nadiri,&nbsp;Ajoy Ramalingam,&nbsp;Bo Shu,&nbsp;Ravi Fernandes,&nbsp;Kai Moshammer-Ruwe","doi":"10.1016/j.combustflame.2025.114365","DOIUrl":"10.1016/j.combustflame.2025.114365","url":null,"abstract":"<div><div>Decarbonizing the aviation sector is crucial for meeting global climate goals, with a strong emphasis on reducing emissions from long-range flights where liquid fuels are indispensable. Synthetic fuels or e-fuels have emerged as a promising solution for sustainable aviation. This study explores the oxidation chemistry of fuel blends consisting of <em>iso</em>-propanol and tetrahydrofuran (THF), two liquid e-fuels that show potential for use in energy-efficient aviation. By utilizing a jet-stirred reactor (JSR) coupled with a Time-of-Flight Mass Spectrometer (TOF-MS), the study examines the oxidation behavior of these fuels, both individually and in blends, under controlled temperature and pressure conditions. Experiments were conducted over a temperature range of 500 to 1200 K, at a pressure of 1 bar, and with lean fuel-air mixtures (<em>ϕ</em> = 0.5). These conditions are typical for lean premixed pre-vaporized (LPP) combustion systems, commonly used in gas turbines to lower NO<sub>x</sub> and soot emissions. The results highlight a critical reactivity threshold for THF at low temperatures, below which its oxidation ceased, particularly at mole fractions &lt;0.0035. The presence of <em>iso</em>-propanol in the blends further influenced the oxidation behavior: at low temperatures, <em>iso</em>-propanol suppressed THF’s reactivity by forming stable acetone. In contrast, at higher temperatures, <em>iso</em>-propanol enhanced overall reactivity by promoting radical formation, converting acetone to ketene, and facilitating significant propene production through primary isopropyl radical channels. This study reveals the intricate chemical interactions between <em>iso</em>-propanol and THF, offering critical insights into their oxidation mechanisms, with a particular focus on the low-temperature reactivity pathways of <em>iso</em>-propanol.</div><div><strong><em>Novelty and significance statement:</em></strong> This study explores the testing of novel fuels for Lean Premixed Pre-vaporized (LPP) combustion, focusing on the oxidation chemistry of <em>iso</em>-propanol and tetrahydrofuran (THF) as alternative fuels. The research examines the low-temperature reactivity of <em>iso</em>-propanol and THF, both individually and in blends, using a Jet-Stirred Reactor (JSR). Notably, it provides the first detailed low temperature analysis of <em>iso</em>-propanol’s reactivity without the addition of oxidizers like O<sub>3</sub>. The study reveals unique suppression mechanisms and temperature-dependent shifts in reaction pathways when the fuels are blended. Through experimental testing and kinetic modeling, the research refines predictive existing models, advancing the understanding of these fuels for cleaner and more efficient combustion applications.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114365"},"PeriodicalIF":6.2,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989055","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
Microscale impact response characteristics of ε-CL-20: A multiscale simulation study with coupled force fields ε-CL-20微尺度冲击响应特性:耦合力场的多尺度模拟研究
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-04 DOI: 10.1016/j.combustflame.2025.114441
Shu Ren , Wei Yang , Qiang Gan , Min Xia , Yajun Wang , Gen Li , Chengjie Tong , Lin Liang , Wenbo Zhang
{"title":"Microscale impact response characteristics of ε-CL-20: A multiscale simulation study with coupled force fields","authors":"Shu Ren ,&nbsp;Wei Yang ,&nbsp;Qiang Gan ,&nbsp;Min Xia ,&nbsp;Yajun Wang ,&nbsp;Gen Li ,&nbsp;Chengjie Tong ,&nbsp;Lin Liang ,&nbsp;Wenbo Zhang","doi":"10.1016/j.combustflame.2025.114441","DOIUrl":"10.1016/j.combustflame.2025.114441","url":null,"abstract":"<div><div>Exploring the microscopic mechanism of critical initiation conditions is a challenging task in shock research on energetic materials. Herein, a multiscale impact simulation of hexanitrohexaazaisowurtzitane (<em>ε</em>-CL-20) was conducted within a velocity range of 8.0∼10.0 km/s by coupling the NNP-SHOCK force field with the ReaxFF-lg force field. Using peak pressure as a stage division indicator, the impact initiation process was quantitatively divided into two stages: impact compression and intense reaction. Among the large variety of <em>ε</em>-CL-20 decomposition products, CO<sub>2</sub> content was identified as a key metric to reflect the initial reaction process of <em>ε</em>-CL-20, rather than the initial product NO<sub>2</sub>. The correlation between the change in CO₂ quantity and the change in unit cell pressure is particularly high when the shock wave velocity is below the critical shock initiation velocity (9.1 km/s) of CL-20. Correspondingly, the calculated critical decomposition rate of CL-20 reaches 9.451 ps<sup>-1</sup> when subjected to a critical detonation velocity. In addition, reaction network diagrams of <em>ε</em>-CL-20 and its typical final products (CO<sub>2</sub>, H<sub>2</sub>O, and N<sub>2</sub>) were drawn to clarify the initial transformation pathways of <em>ε</em>-CL-20 and to determine the intrinsic relationships among the chemical reactions of CO<sub>2</sub>, H<sub>2</sub>O, and N<sub>2</sub>.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114441"},"PeriodicalIF":6.2,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Numerical investigation of a detonation-assisted fuel injection system in supersonic crossflow 超音速横流爆轰辅助燃油喷射系统的数值研究
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-04 DOI: 10.1016/j.combustflame.2025.114442
Moeno Miyashita , Akiko Matsuo , Eiji Shima , Noboru Itouyama , Akira Kawasaki , Ken Matsuoka , Jiro Kasahara
{"title":"Numerical investigation of a detonation-assisted fuel injection system in supersonic crossflow","authors":"Moeno Miyashita ,&nbsp;Akiko Matsuo ,&nbsp;Eiji Shima ,&nbsp;Noboru Itouyama ,&nbsp;Akira Kawasaki ,&nbsp;Ken Matsuoka ,&nbsp;Jiro Kasahara","doi":"10.1016/j.combustflame.2025.114442","DOIUrl":"10.1016/j.combustflame.2025.114442","url":null,"abstract":"<div><div>A novel detonation-assisted fuel injection system was developed in this study to achieve highly efficient supersonic combustion in scramjet engines. In this configuration, a Rotating Detonation Combustor (RDC) with an annular shape was coaxially employed around the main fuel injector, where hydrogen was injected perpendicular to the supersonic airflow. The computational domain consisted of a three-dimensional rectangular region, into which a Mach 2.4 supersonic flow was introduced to simulate flight conditions corresponding to Mach 8.0 at an altitude of 30 km. The main fuel injector and the RDC were coaxially connected to the isothermal lower wall of the scramjet engine. In the RDC, a stoichiometric premixed H₂–O₂ mixture was supplied from the bottom to generate a detonation wave. The compressible Navier–Stokes equations were solved under unsteady conditions. As a result, a detonation wave propagated continuously within the RDC, even when connected to the combustor section exposed to the supersonic main stream. The detonation products, accelerated to supersonic speeds, were discharged together with the main fuel into the scramjet combustor. This configuration generated large-scale vortex structures in the main stream, leading to a combustion efficiency up to 1.9 times higher and a 56% reduction in combustor length. This enhancement was primarily attributed to the high-enthalpy detonation products containing reactive radicals, which assisted main fuel penetration, increasing the penetration height by approximately 85%. Furthermore, high-frequency pressure disturbances with helically distributed spatial patterns were observed on the lower wall of the scramjet combustor, which were considered to contribute to combustion enhancement. These results demonstrate the effectiveness of detonation-assisted injection and highlight its potential as a solution to the long-standing challenges of stable and efficient combustion in supersonic propulsion systems.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114442"},"PeriodicalIF":6.2,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989056","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
Preferential vaporization effects on multicomponent n-dodecane/iso-octane non-premixed spray cool flames 多组分正十二烷/异辛烷非预混喷雾冷却火焰的优先汽化效应
IF 6.2 2区 工程技术
Combustion and Flame Pub Date : 2025-09-04 DOI: 10.1016/j.combustflame.2025.114453
Wenbin Xu , Bowen Mei , Ziyu Wang , Martin A. Erinin , Andy Thawko , Luc Deike , Yiguang Ju
{"title":"Preferential vaporization effects on multicomponent n-dodecane/iso-octane non-premixed spray cool flames","authors":"Wenbin Xu ,&nbsp;Bowen Mei ,&nbsp;Ziyu Wang ,&nbsp;Martin A. Erinin ,&nbsp;Andy Thawko ,&nbsp;Luc Deike ,&nbsp;Yiguang Ju","doi":"10.1016/j.combustflame.2025.114453","DOIUrl":"10.1016/j.combustflame.2025.114453","url":null,"abstract":"<div><div>Experimental and numerical studies are performed on the non-premixed <em>n</em>-dodecane/<em>iso-</em>octane spray flames to investigate the effects of preferential vaporization on cool flame extinction and the repetitive autoignition-extinction instability. A well-defined counterflow burner is employed for cool flame studies. Inline holography is used to measure the spray size distribution and the mean droplet diameter, where d<sub>32</sub> is 167 <em>μm</em>. Gas chromatography is used to measure the vaporized fuel concentrations. The preferential vaporization is demonstrated by the increased <em>n</em>-dodecane to <em>iso</em>-octane ratio along the centerline from the spray nozzle. The extinction limits of cool flames are examined with three <em>n-</em>dodecane/<em>iso</em>-octane blending ratios at two temperatures respectively below and above the fuel boiling points. It is shown that at the lower temperature of 450 K, the increased preferential vaporization of <em>iso</em>-octane weakens more the low-temperature reactivity of the <em>n</em>-dodecane vapor mixture and leads to a greater decrease in the extinction limits with the increase of the blending ratio compared to pre-vaporized gas cool flames. The repetitive autoignition-extinction instability is examined by measuring the frequency distribution of spray cool flame stabilization time at a near-limit strain rate of 100 s<sup>-1</sup> for the pure <em>n</em>-dodecane and the blended fuel. The temperature rise on the fuel side promotes the preferential vaporization, causing more <em>iso</em>-octane released in the early gasification, which amplifies the instability at higher temperature. One-dimensional monodisperse spray cool flame simulations are performed across a wide range of spray sizes under the measured boundary conditions. With preferential vaporization, most <em>iso</em>-octane vaporizes outside the flame region and the subsequently released <em>n</em>-dodecane vapor is concentrated in the reaction zone for the droplets below 100 <em>μm.</em> For large droplets over 150 <em>μm</em>, more <em>iso-</em>octane is introduced to the reaction zone and the <em>n</em>-dodecane vapor is more dispersed along the droplet trajectory. The present results demonstrate the significant impacts of preferential vaporization on the low-temperature combustion of multicomponent spray. These results will contribute to the advancement of low-temperature combustion technologies with practical liquid fuels.</div></div>","PeriodicalId":280,"journal":{"name":"Combustion and Flame","volume":"281 ","pages":"Article 114453"},"PeriodicalIF":6.2,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989054","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
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