Applications in Energy and Combustion Science最新文献

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A numerical study of hydrogen enrichment effects on laminar methane/air flame propagation and emissions in crevices 富氢对裂缝中层流甲烷/空气火焰传播和发射影响的数值研究
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-07-08 DOI: 10.1016/j.jaecs.2025.100351
Vili-Petteri Salomaa , Parsa Tamadonfar , Mahmoud Gadalla , Ville Vuorinen , Ossi Kaario
{"title":"A numerical study of hydrogen enrichment effects on laminar methane/air flame propagation and emissions in crevices","authors":"Vili-Petteri Salomaa ,&nbsp;Parsa Tamadonfar ,&nbsp;Mahmoud Gadalla ,&nbsp;Ville Vuorinen ,&nbsp;Ossi Kaario","doi":"10.1016/j.jaecs.2025.100351","DOIUrl":"10.1016/j.jaecs.2025.100351","url":null,"abstract":"<div><div>Crevices, i.e. narrow channels, inside combustion devices, have been found to be a major source of emissions, such as unburned hydrocarbons (uHC) and carbon monoxide (CO). In the present 2D model problem, a premixed laminar methane/air flame approaches a narrow enclosure with cold walls. The effects of the crevice height, the hydrogen enrichment, and the equivalence ratio on the flame propagation and formation of pollutants are investigated with direct numerical simulations. For the chosen geometry, the flame experiences a head-on quenching (HOQ), possibly followed by a side-wall quenching (SWQ) and second HOQ, depending on the chosen conditions. The present study concludes that, (I) the quenching Peclet number is a sufficient a priori tool for estimating the methane/hydrogen flame propagation into a crevice, (II) increasing the crevice height, H<sub>2</sub>-enrichment level, and equivalence ratio (up to stoichiometry) improve the flame penetration into a crevice, (III) a reciprocal relationship is observed between the flame penetration distance and the uHC emissions left in the system after combustion, and (IV) both the CO and NO emissions have the same dominant production and consumption reactions, respectively, regardless of the quenching scenario (HOQ or SWQ).</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100351"},"PeriodicalIF":5.0,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A coupled Eulerian–Lagrangian approach with explicit volume diffusion subgrid closures for jet breakup and atomisation 射流破裂和雾化的欧拉-拉格朗日耦合方法及显式体积扩散子网格闭包
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-07-07 DOI: 10.1016/j.jaecs.2025.100350
Jiayue Yu , Sebastian Galindo-Lopez , Matthew J. Cleary
{"title":"A coupled Eulerian–Lagrangian approach with explicit volume diffusion subgrid closures for jet breakup and atomisation","authors":"Jiayue Yu ,&nbsp;Sebastian Galindo-Lopez ,&nbsp;Matthew J. Cleary","doi":"10.1016/j.jaecs.2025.100350","DOIUrl":"10.1016/j.jaecs.2025.100350","url":null,"abstract":"<div><div>A novel, coupled Eulerian–Lagrangian Large Eddy Simulation method is developed to model turbulent jet breakup, atomisation and droplet dispersion applicable to combusting sprays and other two-phase flows. The approach integrates an Eulerian single-fluid representation incorporating Explicit Volume Diffusion (EVD) subgrid closures for the continuous fluids, including the liquid core and interfacial region, which transitions to a two-fluid representation involving Lagrangian Particle Tracking (LPT) of inertial droplets. The Eulerian–Lagrangian transition utilises criteria based on liquid volume fraction thresholds and a critical droplet Weber number. The coupled model (EVD-LPT) is validated against new high-resolution Direct Numerical Simulation (DNS) data of a turbulent round liquid jet and existing experimental and numerical data for a turbulent jet in crossflow. Results demonstrate substantial improvements in droplet size prediction relative to Eulerian-only EVD simulations. In the round jet case, mesh convergence is achieved for droplets larger than <span><math><mrow><mn>5</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span>, with low sensitivity to transition parameters. The crossflow simulations also agree closely with DNS and previous Large Eddy Simulation (LES) results, particularly in capturing inertial droplet behaviour. The study reveals that the Lagrangian representation significantly enhances the prediction of droplet size distributions, addressing known limitations of Eulerian-only models in regions dominated by aerodynamic inertial effects. Overall, the coupled EVD-LPT method provides a computationally efficient, accurate approach for atomisation predictions in complex spray systems, laying a foundation for future developments incorporating droplet secondary breakup, non-spherical droplet shapes, and droplet interaction models.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100350"},"PeriodicalIF":5.0,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144580442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Large eddy simulation of spray combustion in a lean direct injection combustor using a novel subgrid-scale stress model 基于新型亚网格尺度应力模型的精益直喷燃烧室喷雾燃烧大涡模拟
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-07-05 DOI: 10.1016/j.jaecs.2025.100347
Yicun Wang , Kun Luo , Hualin Xiao , Tai Jin , Changxiao Shao , Jianren Fan
{"title":"Large eddy simulation of spray combustion in a lean direct injection combustor using a novel subgrid-scale stress model","authors":"Yicun Wang ,&nbsp;Kun Luo ,&nbsp;Hualin Xiao ,&nbsp;Tai Jin ,&nbsp;Changxiao Shao ,&nbsp;Jianren Fan","doi":"10.1016/j.jaecs.2025.100347","DOIUrl":"10.1016/j.jaecs.2025.100347","url":null,"abstract":"<div><div>Large eddy simulation (LES) is an important tool for studying turbulent spray combustion and developing next-generation combustion devices. In LES, the subgrid-scale (SGS) stress needs to be modeled with the closure models. Among various SGS stress models, the recently developed flame surface and k-equation-based gradient model (FKGM) has shown sound performance in predicting the SGS stress because it can consider the effect of combustion on turbulence, which is rarely considered in previous studies of SGS modeling. In this study, the LES of spray combustion in the NASA lean direct injection combustor is conducted to further validate the FKGM model and analyze the complex spray flame structure. The FKGM model achieves good agreement with the experimental measurements in terms of gas mean and fluctuating velocities, which indicates the model’s accuracy. Radial profiles of temperature, major combustion products as well as droplet diameters are also well reproduced in the current simulation. The inner recirculation zone, small outer recirculation zones, and three main flame zones are well captured. The flame index is introduced to identify different combustion regimes in the complex spray flame where both premixed and diffusion regimes coexist. Quantitative statistics related to the heat release rate show that the heat release intensity of the premixed flame regime is higher than that of the diffusion regime. Overall, the good agreement with the experimental measurements demonstrates the predictive capability of the FKGM model for SGS stress modeling in turbulent spray combustion.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100347"},"PeriodicalIF":5.0,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144580440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rare earth orthovanadates RVO4 (LaVO4, CeVO4) bifunctional catalyst for the synthesis of fatty acid methyl esters from Sapindus trifoliatus non-edible oil 稀土正钒酸盐RVO4 (LaVO4, CeVO4)双功能催化剂在三叶子非食油合成脂肪酸甲酯中的应用
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-25 DOI: 10.1016/j.jaecs.2025.100348
Sadaf Khoso , Iftikhar Ahmad , Rajwali Khan , Syed Danish Ali , Mushtaq Ahmad , Amir Waseem
{"title":"Rare earth orthovanadates RVO4 (LaVO4, CeVO4) bifunctional catalyst for the synthesis of fatty acid methyl esters from Sapindus trifoliatus non-edible oil","authors":"Sadaf Khoso ,&nbsp;Iftikhar Ahmad ,&nbsp;Rajwali Khan ,&nbsp;Syed Danish Ali ,&nbsp;Mushtaq Ahmad ,&nbsp;Amir Waseem","doi":"10.1016/j.jaecs.2025.100348","DOIUrl":"10.1016/j.jaecs.2025.100348","url":null,"abstract":"<div><div>Investigation and enhancement of FAME synthesis from non-edible oil is one of the contemporary means to solve the inadequate amount of conventional raw materials and their high prices. This study aims to synthesize and assess the efficiency of different heterogeneous bifunctional catalysts; CeVO<sub>4</sub> and LaVO<sub>4</sub>, to produce FAME from Sapindus trifoliatus seed oil (SPO), as a non-edible feedstock. The outcomes showed that the CeVO<sub>4</sub> and LaVO<sub>4</sub> catalysts revealed exceptional catalytic performance for simultaneous esterification and transesterification of SPO with a higher percentage yield. The optimum conditions were determined by varying experimental parameters such as catalyst loading, temperature, reaction duration, and the methanol-to-oil molar ratio. The CeVO<sub>4</sub> catalyst produced the highest 98 % SPO conversion to FAME when 8 % weight of the catalyst was used with the reaction time of 100 min, temperature of 60 °C, and the methanol-to-oil ratio of 25:1. The LaVO<sub>4</sub> catalyst produced a 94 % yield when the reaction temperature was 60 °C, the catalyst amount was 8 %, the methanol-to-oil ratio was 25:1 mol, and the reaction time was 110 min. The SPO FAME properties conform to the ASTM6751 standard specification. Besides, the stability and reusability of these heterogenous catalysts were assessed, and it was discovered that the catalysts exhibited good stability, giving the highest biodiesel conversion even after three cycles.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100348"},"PeriodicalIF":5.0,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Real-time analysis of flame chemiluminescence spectra for equivalence ratio and gas composition using neural network approaches 利用神经网络方法实时分析等效比和气体成分的火焰化学发光光谱
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-21 DOI: 10.1016/j.jaecs.2025.100345
André Müller, Veysel Ersoy, Jan Menser, Torsten Endres, Christof Schulz
{"title":"Real-time analysis of flame chemiluminescence spectra for equivalence ratio and gas composition using neural network approaches","authors":"André Müller,&nbsp;Veysel Ersoy,&nbsp;Jan Menser,&nbsp;Torsten Endres,&nbsp;Christof Schulz","doi":"10.1016/j.jaecs.2025.100345","DOIUrl":"10.1016/j.jaecs.2025.100345","url":null,"abstract":"<div><div>In response to the expected challenges in gas network operations, where variable gas compositions require robust combustion systems with automatic adaptation, this study explores the application of an artificial neural network (ANN) for real-time recognition of flame feed gas compositions based on spatially integrated flame chemiluminescence in the 285–550 nm spectral range. Operating conditions of a premixed laminar jet flame were dynamically varied in respect of equivalence ratio (<em>ϕ</em>), fuel composition (methane/hydrogen blend), and inert gas composition (carbon dioxide/nitrogen blend). Out of the &gt;300 conditions investigated, 80 % served as training data and the remaining 20 % were analyzed to demonstrate the predictive accuracy. The overall mean absolute error (<span><math><mrow><mi>M</mi><mi>A</mi><mi>E</mi></mrow></math></span>) relative to the ground truth data for <em>ϕ</em> was 0.016, for the methane/hydrogen blend 1.62 %, and for the inert gas variation 0.3 %. To further test the networks performance, the network was also applied to randomly selected spectra from a second dataset acquired under slightly different conditions in respect of gas exit velocity and background illumination. This analysis also achieved low <span><math><mrow><mi>M</mi><mi>A</mi><mi>E</mi><mi>s</mi></mrow></math></span> of 0.04 for <em>ϕ</em>, 4.6 % for the methane/hydrogen, and 0.49 % for inert gas variation. The standardized absolute deviation (<span><math><mrow><mi>S</mi><mi>A</mi><mi>D</mi></mrow></math></span>), showed that there is no correlation between individual operating conditions and the related errors in the data analysis. An analysis time of 10 ms allows the network to be used for real-time application.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100345"},"PeriodicalIF":5.0,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144471382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Assessment of the potential of biomass chemical looping combustion with CO2 capture from experimental results at the 20 kWth scale with olive stone 从20千瓦时规模的橄榄石实验结果评估生物质化学环燃烧与CO2捕集的潜力
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-21 DOI: 10.1016/j.jaecs.2025.100346
Alberto Abad , María T. Izquierdo , Teresa Mendiara , Luis F. de Diego , Raúl Pérez-Vega , Francisco García-Labiano
{"title":"Assessment of the potential of biomass chemical looping combustion with CO2 capture from experimental results at the 20 kWth scale with olive stone","authors":"Alberto Abad ,&nbsp;María T. Izquierdo ,&nbsp;Teresa Mendiara ,&nbsp;Luis F. de Diego ,&nbsp;Raúl Pérez-Vega ,&nbsp;Francisco García-Labiano","doi":"10.1016/j.jaecs.2025.100346","DOIUrl":"10.1016/j.jaecs.2025.100346","url":null,"abstract":"<div><div>The bioenergy with CO<sub>2</sub> Capture and Storage (BECCS) concept has the potential for the carbon dioxide removal (CDR) from the atmosphere. Among the negative emissions technologies (NETs), Chemical Looping Combustion (CLC) has low economic and energetic costs due to the inherent CO<sub>2</sub> capture by splitting the combustion in fuel and air reactors. The fuel combustion happens in the fuel reactor, where CO<sub>2</sub> is concentrated and separated from air. In this work, the combustion of olive stone is performed in a CLC unit at the 20 kW<sub>th</sub> scale using a highly reactive iron ore. The tests analyse the effect on the combustion efficiency and the CO<sub>2</sub> capture of the main operating conditions: reacting temperature (800-970 °C), oxygen carrier-to-fuel ratio (ϕ=1-3) and specific solids inventory (140-720 kg/MW<sub>th</sub>). Tests at a lower scale (6 kW<sub>th</sub>) evaluate the effect of some design parameters. A total of 60 h of olive stone combustion were performed. No relevant differences on the CO<sub>2</sub> capture were observed among these scales. Full combustion was not achieved due to the high volatile content of the biomass and the uncompleted oxidation of char gasification products, but the combustion degree was improved at the highest scale due to the proper development of the characteristic fluid dynamic of a circulating fluidized bed. A cross-effect was observed between CO<sub>2</sub> capture and combustion efficiency: the later decreased as the first increased due to the higher char conversion. CO<sub>2</sub> capture values above 90 % may be feasible with oxygen demand values around 15 % operating at fuel reactor temperatures above 950 °C and specific solids inventory values about 300-400 kg/MW<sub>th</sub>.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100346"},"PeriodicalIF":5.0,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct numerical simulation of ammonia spray combustion ignited by n-heptane flame under high-pressure conditions 高压条件下正庚烷火焰点燃氨喷雾燃烧的直接数值模拟
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-18 DOI: 10.1016/j.jaecs.2025.100343
Qian Meng, Haiou Wang, Ziwei Huang, Kun Luo, Jianren Fan
{"title":"Direct numerical simulation of ammonia spray combustion ignited by n-heptane flame under high-pressure conditions","authors":"Qian Meng,&nbsp;Haiou Wang,&nbsp;Ziwei Huang,&nbsp;Kun Luo,&nbsp;Jianren Fan","doi":"10.1016/j.jaecs.2025.100343","DOIUrl":"10.1016/j.jaecs.2025.100343","url":null,"abstract":"<div><div>Ammonia is considered as a promising clean and sustainable alternative fuel in internal combustion engines, and ammonia/diesel direct dual fuel stratification (DDFS) engines have attracted extensive research interests. However, the ignition process, subsequent flame development, and interactions of diesel/ammonia flames under DDFS conditions are not well understood. In the present study, ammonia spray ignited by n-heptane flame was investigated using three-dimensional direct numerical simulations (DNS). The thermochemical conditions in the DNS correspond to those in ammonia/diesel DDFS engines. The Eulerian and Lagrangian framework was employed for solving the gas and liquid phases, respectively. Two cases with different ammonia energy ratios (AER) were considered. Two-stage combustion of n-heptane was observed, and it was found that the first-stage ignition occurs in the fuel-lean mixture with minimal heat release, gradually transitioning into the fuel-rich mixture. In contrast, the second-stage ignition is initiated at the tip of the jet in the fuel-rich region, and non-premixed flames near the stoichiometric mixture fraction are identified afterward. The combustion mode analysis based on key radical species illustrates the complex multi-stage and multi-mode nature of the n-heptane flame. Ammonia and n-heptane spray flame interactions were investigated. In the case with low AER, the n-heptane flame is broken by the ammonia spray, and the combustion region is wide. In the case with high AER, the significant entrainment of cold ammonia/ambient gas mixtures into the n-heptane flame decreases the local fluid temperature. The combustion regime of ammonia/n-heptane DDFS combustion was also examined. It was shown that the contribution of premixed combustion decreases with increasing AER, and premixed combustion prevails in the ammonia spray flame in both cases.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100343"},"PeriodicalIF":5.0,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144322490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design of novel high-performance fuels with artificial intelligence: Case study for spark-ignition engine applications 基于人工智能的新型高性能燃料设计:火花点火发动机应用案例研究
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-16 DOI: 10.1016/j.jaecs.2025.100341
Zhuo Chen , Florian vom Lehn , Heinz Pitsch , Liming Cai
{"title":"Design of novel high-performance fuels with artificial intelligence: Case study for spark-ignition engine applications","authors":"Zhuo Chen ,&nbsp;Florian vom Lehn ,&nbsp;Heinz Pitsch ,&nbsp;Liming Cai","doi":"10.1016/j.jaecs.2025.100341","DOIUrl":"10.1016/j.jaecs.2025.100341","url":null,"abstract":"<div><div>The ever-increasing importance of both energy security and sustainability motivates the design of carbon-neutral petroleum replacements from renewable resources. Fuel candidates are conventionally selected from existing databases with limited scope. This work presents a novel artificial intelligence-based fuel design approach, which identifies molecules tailor-made for a particular application by screening millions of candidates. The approach is demonstrated by the design of fuel blending components for spark-ignition engines. A virtual pool consisting of 26.2 million fuel molecules is first developed by considering all possible combinations of predefined structural groups. The practical application potential of these molecules is evaluated based on the joint consideration of various properties estimated by artificial neural network-based quantitative structure–property relationship models. A two-stage design process is performed. In particular, a number of species with novel and complex structures are identified. These are expected to allow for high efficiency and low emissions simultaneously, but have not attracted previous investigation in the literature yet.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100341"},"PeriodicalIF":5.0,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Real-fluid transport property computations based on the Boltzmann-weighted full-dimensional potential model 基于玻尔兹曼加权全维势模型的实流体输运性质计算
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-14 DOI: 10.1016/j.jaecs.2025.100342
Xin Zhang , Junfeng Bai , Bowen Liu , Tong Zhu , Hao Zhao
{"title":"Real-fluid transport property computations based on the Boltzmann-weighted full-dimensional potential model","authors":"Xin Zhang ,&nbsp;Junfeng Bai ,&nbsp;Bowen Liu ,&nbsp;Tong Zhu ,&nbsp;Hao Zhao","doi":"10.1016/j.jaecs.2025.100342","DOIUrl":"10.1016/j.jaecs.2025.100342","url":null,"abstract":"<div><div>The intermolecular potential plays a crucial role in real-fluid interactions away from the ideal-gas equilibrium, such as supercritical fluid, high-enthalpy fluid, plasma interactions. We propose a Boltzmann-weighted Full-dimensional (BWF) potential model for real-fluid computations. It includes diverse intermolecular interactions so as to determine the potential well, molecular diameter, dipole moment, polarizability of species without introducing bath gases, allowing more accurate descriptions of potential surfaces with more potential parameters. The anisotropy and temperature dependence of potential parameters are also considered by applying the Boltzmann weighting on all orientations. Through the high-level Symmetry-Adapted Perturbation Theory calculations, full-dimensional potential energy surface datasets are obtained in 432 orientations for each species. Subsequently, the Boltzmann-weighted Full-dimensional potential parameters are derived by training the dataset exceeding <span><math><mrow><mn>5</mn><mo>∗</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>6</mn></mrow></msup></mrow></math></span> data, including nonpolar and polar molecules, radicals, long-chain molecules, and ions. These BWF transport properties calculated by the BWF potential have been compared against the Lennard-Jones transport properties as well as experimental viscosity, mass diffusivity, and thermal conductivity coefficients. It shows discrepancies of viscosity coefficients within 1% and 5% for nonpolar and polar molecules, respectively. Furthermore, this potential model is applied to study radicals, long-chain molecules, and ions, for which the experimental data is rarely accessed in high accuracy. It indicates significant prediction improvements of complex interactions between various particles. The new transport properties are also embedded into combustion simulations to predict the laminar flame speeds and the flame extinction limits of methane, dimethyl ether, and n-heptane at elevated pressures, confirming its predictivity and effectiveness.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100342"},"PeriodicalIF":5.0,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A computer vision approach for analysis of detonation cellular structures 爆轰细胞结构分析的计算机视觉方法
IF 5
Applications in Energy and Combustion Science Pub Date : 2025-06-10 DOI: 10.1016/j.jaecs.2025.100340
Daniel Jalontzki , Alon Zussman , Sumedh Pendurkar , Guni Sharon , Yoram Kozak
{"title":"A computer vision approach for analysis of detonation cellular structures","authors":"Daniel Jalontzki ,&nbsp;Alon Zussman ,&nbsp;Sumedh Pendurkar ,&nbsp;Guni Sharon ,&nbsp;Yoram Kozak","doi":"10.1016/j.jaecs.2025.100340","DOIUrl":"10.1016/j.jaecs.2025.100340","url":null,"abstract":"<div><div>In the current study, we present a novel computer-vision-based method for automated detection, measurement, and statistical analysis of detonation cellular structure images. The new approach consists of four primary steps: (1) image preprocessing, (2) cell contour detection, (3) parameter optimization, and (4) statistical analysis. First, the cell size measurements from the proposed approach are extensively validated against other measurement methods for numerical soot foils. We demonstrate that the computer vision approach can measure the average cell dimensions with a maximum relative error of 30% for images with a very wide range of cell regularity levels and resolutions. For high-resolution regular and irregular patterned numerical soot foil images, the maximum relative errors decrease to 8% and 17%, respectively. Moreover, cell distribution histogram analysis is carried out for cases with irregular cellular structures. We show that the suggested method can capture the correct cell size distributions with reasonable accuracy in comparison with other measurement methods. Finally, we demonstrate the new computer vision approach capability to automatically analyze high-quality experimentally-derived detonation cellular structure images.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100340"},"PeriodicalIF":5.0,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144298639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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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