Applications in Energy and Combustion Science最新文献

{"title":"Thermal runaway and heat generation of low-temperature cycling batteries under external heating and the influencing factors","authors":"Jialong Liu ,&nbsp;Chun E ,&nbsp;Xiaoming Jin ,&nbsp;Zhirong Wang ,&nbsp;Yangyang Cui","doi":"10.1016/j.jaecs.2025.100360","DOIUrl":"10.1016/j.jaecs.2025.100360","url":null,"abstract":"<div><div>Safety of lithium-ion battery is an urgent issue to be solved during its use. Thermal stability of low-temperature cycling battery decreases much. Influence of multi factors on thermal runaway under external heating for low-temperature cycling battery is not clear. This is studied in this work. The results indicate that thermal runaway time and the total heat needed for thermal runaway under external heating decrease with the decrease of state of health (SOH). Compared to 90% SOH, hazard risk of battery with 80% and 70% SOH decreases more. The difference between center and surface temperature is higher than hundreds of degrees except for battery with 70% SOH. Thermal runaway propagation in 18,650-type battery is found in this study. Exothermic side reactions are very violent for battery with 70% SOH. Heat from external heating contributes the most to the total heat needed for thermal runaway induced by external heating. Thermal runaway time and total heat needed for thermal runaway increase with the decrease of state of charge (SOC) and ambient temperature. Maximum temperature of battery decreases with the decrease of SOC after thermal runaway. Safety of battery with 60% SOC increases more compared to battery with 100% SOC. Ambient temperature affects the exothermic side reactions of aged batteries less before thermal runaway.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100360"},"PeriodicalIF":5.0,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144852731","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}

{"title":"Experimental study of thermo-environmental properties of single and double-chambered bioethanol burners","authors":"Jiří Ryšavý ,&nbsp;Estela Alexandra Domingos Vicente ,&nbsp;Oleksandr Molchanov ,&nbsp;Yago Alonso Cipoli ,&nbsp;Kamil Krpec ,&nbsp;Célia A. Alves ,&nbsp;Manuel Feliciano ,&nbsp;Imane Dargham ,&nbsp;Jenn-Kun Kuo ,&nbsp;Cheng-Chi Wang","doi":"10.1016/j.jaecs.2025.100359","DOIUrl":"10.1016/j.jaecs.2025.100359","url":null,"abstract":"<div><div>Bioethanol burners are becoming increasingly popular across Europe, often valued primarily for their aesthetic appeal; however, their potential role in household energy systems and their influence on the indoor environment have been largely overlooked. This study aimed to evaluate the effects of burner design, burner opening area regulation, fuel quality, and initial fuel dose on key operational and environmental performance metrics, including heat output, pollutant emission rates, and impact on indoor environment, for single- and double-chambered bioethanol burners. The results showed that single-chambered burners achieved 11–31 % higher average heat output and 8–27 % higher maximum heat output despite having a lower burner opening area. Regarding emissions, single-chambered burners exhibited lower CO emission factors (5–51 % reduction) but higher NOx emission factors (13–23 % increase) compared to double-chambered burners. Indoors, a similar trend was observed, with single-chambered burners contributing to lower CO levels but higher NOx concentrations. These findings provide new insights into how burner geometry directly affects combustion efficiency and pollutant formation mechanisms, including thermal NOx and incomplete combustion processes. This study is one of the few to combine controlled hood testing with real-room experiments, offering a comprehensive assessment of the indoor air quality implications of ethanol burner operation. The results of this study highlight the necessity for further research and development to mitigate potential health risks while maximising the efficiency of bioethanol burners as a viable household heating solution.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100359"},"PeriodicalIF":5.0,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144829436","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}

{"title":"Lean Blow-Out analysis for the performance assessment of advanced burner designs operating under CO2-diluted air conditions using a high-fidelity CFD approach","authors":"Gianmarco Lemmi ,&nbsp;Simone Castellani ,&nbsp;Roberto Meloni ,&nbsp;Sofia Galeotti ,&nbsp;Antonio Andreini","doi":"10.1016/j.jaecs.2025.100356","DOIUrl":"10.1016/j.jaecs.2025.100356","url":null,"abstract":"<div><div>Amid the growing focus on sustainable industrial practices, Carbon Capture and Storage (CCS) systems are becoming increasingly essential for reducing the carbon footprint of Gas Turbine (GT) power generation. In this context, an efficient GT-CCS coupling can be achieved by employing high Exhaust Gas Recirculation (EGR) rates to boost CO₂ content at the CCS inlet. However, the reduced oxygen levels resulting from these operating conditions pose significant challenges to conventional combustion systems, limiting flame stability and, consequently, engine operability. Overcoming these challenges requires the development of novel technical solutions aimed at enhancing combustor performance under high EGR rates.</div><div>Computational Fluid Dynamics (CFD) is crucial in this endeavour offering detailed analysis of intricate flow behaviours, mixing process dynamics, flame structures, and stability thresholds within the combustor. Given the demand for extensive simulations to assess flame stability across various burner designs and operating conditions, balancing the necessity for high accuracy while keeping computational expenses in check is mandatory.</div><div>This study employs a high-fidelity CFD approach to perform a comprehensive Lean Blow-Out (LBO) analysis, with the goal of identifying burner designs that exhibit broader operability limits under highly CO₂-diluted air conditions, which emulate the effects of a real EGR system. All simulations utilise an extended Flamelet Generated Manifold (FGM) turbulent combustion model, whose accuracy and cost-effectiveness have been previously validated by the authors.</div><div>The numerical results demonstrate the capability of CFD to identify unique blow-off dynamics that are challenging to observe experimentally. Additionally, the findings highlight the most effective design strategy for extending the flame stability range under high EGR levels.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100356"},"PeriodicalIF":5.0,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144779649","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}

{"title":"Effect of liquid droplets on premixed laminar acetone flames","authors":"Shiyao Ni,&nbsp;Tze Yeung Cho,&nbsp;Simone Hochgreb","doi":"10.1016/j.jaecs.2025.100354","DOIUrl":"10.1016/j.jaecs.2025.100354","url":null,"abstract":"<div><div>The effects of fuel droplets on premixed laminar counterflow acetone flames are numerically investigated, and parametric studies are conducted for a range of monodisperse droplet sizes, equivalence ratios, and liquid fractions of fuel. A point-source Lagrangian framework is adopted for droplet calculations coupled with the Eulerian gas-phase solution. The particular geometric arrangement is created to mirror an experimental setup for flames with a global stoichiometric air fuel ratio, and a liquid mass fuel fraction of around 10%. The simulated flame generally appears as a one-dimensional structure under stoichiometric conditions for all the droplet sizes studied. Small droplets are found to vaporize in the vicinity of the flame front, while large droplets cross the flame and oscillate about the stagnation plane while vaporizing in the product zone. Under globally lean conditions, the local droplet vaporization leads to local enrichment and slightly higher temperatures and flame acceleration. Under rich conditions and larger liquid fractions, however, temperature decreases from fuel vaporization are not compensated by local heat release, and local deceleration occurs. The vaporization of droplets in the post-flame zone introduces fuel into products, creating a rich area and leading to further reactions to produce more CO and less CO₂. Increases in droplet diameter lead to survival of droplets across the flame, which are eventually dragged back towards the flame for final vaporization and exit. Comparison with experimental measurements of velocities along the centerline with simulations results using incoming measured polydisperse droplet distributions show that agreement is only fair, and that it may be important to capture the cooling effects on the spray side with high accuracy temperature and droplet number measurements, as pre-cooling may affect the initial boundary conditions.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100354"},"PeriodicalIF":5.0,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144779650","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}

{"title":"Theoretical study on the co-adsorption effect of H atoms on NH3 decomposition over Pt(100) and Pt(111) surfaces","authors":"Huanhuan Wang ,&nbsp;Long Qin ,&nbsp;Fanggang Zhang ,&nbsp;Zaiqing Que ,&nbsp;Ran Sui","doi":"10.1016/j.jaecs.2025.100358","DOIUrl":"10.1016/j.jaecs.2025.100358","url":null,"abstract":"<div><div>The influence of co-adsorbed hydrogen (H) atoms on the decomposition of ammonia (NH₃) over two representative crystalline facets of platinum catalyst, i.e., Pt(100) and Pt(111), is investigated using density functional theory (DFT) and microkinetic modeling. The results reveal that NH₃ preferentially adsorbs on top sites, with its binding strength decreasing at higher coverages due to intermolecular repulsion. Although NH₃ adsorption is progressively unfavored on both facets with increased coverage by co-adsorbed H atoms, facet-dependent effects are observed: while Pt(100) maintains stable NH₃ decomposition energetics even at high H coverages, Pt(111) shows significant inhibition effect with increased reaction barriers and destabilized intermediates. Microkinetic simulations further confirm that Pt(100) exhibits superior catalytic activity, particularly in N–N coupling and N₂ desorption, compared to Pt(111). These findings highlight the critical role of surface structure and hydrogen coverage in modulating NH₃ decomposition kinetics, providing insights for optimizing Pt-based catalysts in NH₃-based energy systems.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100358"},"PeriodicalIF":5.0,"publicationDate":"2025-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144723278","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}

{"title":"Numerical simulation of reacting and non-reacting liquid jets in supersonic crossflow","authors":"Michael Ullman,&nbsp;Shivank Sharma,&nbsp;Venkat Raman","doi":"10.1016/j.jaecs.2025.100353","DOIUrl":"10.1016/j.jaecs.2025.100353","url":null,"abstract":"<div><div>Canonical jet in supersonic crossflow (JISC) studies have been widely used to study fundamental physics relevant to a variety of applications. While most JISC works have considered injection of gases, liquid injection is also of practical interest and introduces additional multi-scale physics, such as atomization and evaporation, that complicate the flow dynamics. To facilitate further understanding of these complex phenomena, this work presents multiphase simulations of reacting and non-reacting JISC configurations with freestream Mach numbers of roughly 4.5. Adaptive mesh refinement is implemented with a volume of fluid scheme to capture the liquid breakup and turbulent mixing at high resolution. The results compare the effects of the jet momentum ratio and freestream temperature on the jet penetration, mixing, and combustion dynamics. For similar jet momentum ratios, the jet penetration and mixing characteristics are similar for the reacting and non-reacting cases. Mixing analyses reveal that vorticity and turbulent kinetic energy (TKE) intensities peak in the jet shear layers, where vortex stretching is the dominant turbulence-generation mechanism for all cases. Cases with lower freestream temperatures yield negligible heat release, while cases with elevated freestream temperatures exhibit chemical reactions primarily along the leading bow shock and within the boundary layer in the jet wake. The evaporative cooling quenches the chemical reactions in the primary atomization zone at the injection height, such that the flow rates of several product species plateau after <span><math><mrow><mi>x</mi><mo>/</mo><mi>d</mi><mo>=</mo><mn>20</mn></mrow></math></span>. Substantial concentrations of final product species are only observed along the bow shock—due to locally elevated temperature and pressure—and in the boundary layer far downstream—where lower flow velocities counteract the effects of prolonged ignition delays. This combination of factors leads to low combustion efficiency at the domain exit.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100353"},"PeriodicalIF":5.0,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144864322","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}

{"title":"Acetylene formation via oxidative coupling of methane over monolithic Pt/Al2O3 and Pt/ZrO2 catalysts","authors":"Sven Schardt ,&nbsp;Ahmet Çelik ,&nbsp;Simon Bastian ,&nbsp;Suchada Sirisomboonchai ,&nbsp;Maki Nakamura ,&nbsp;Koyo Norinaga ,&nbsp;Patrick Lott","doi":"10.1016/j.jaecs.2025.100357","DOIUrl":"10.1016/j.jaecs.2025.100357","url":null,"abstract":"<div><div>This study investigates the influence of key operational parameters – including space velocity, feed gas dilution with nitrogen, and the carbon-to-oxygen (C:O) ratio – on monolithic Pt/Al₂O₃ and Pt/ZrO₂ catalysts for the oxidative coupling of methane (OCM). Optimal operating conditions were identified that yielded high C₂ selectivities, with a notably large share of acetylene. Under ideal conditions, a Pt/ZrO₂ catalyst achieved a maximum C₂ selectivity of 11.3 %, with 84 % acetylene contribution and approximately 90 % methane conversion. Zirconia was found to be a superior support material compared to alumina in terms of catalyst stability and longevity. A number of characterization techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) were applied and revealed significant morphological and structural changes in both catalyst types, induced by the harsh reaction conditions with temperatures exceeding 1200 °C. These findings contribute to the advancement of more robust catalyst formulations and optimized process conditions for the OCM reaction.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100357"},"PeriodicalIF":5.0,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144723603","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}

{"title":"Impact of multi-component evaporation on turbulent spray combustion investigated by Direct Numerical Simulation","authors":"Abouelmagd Abdelsamie ,&nbsp;Dominique Thévenin","doi":"10.1016/j.jaecs.2025.100355","DOIUrl":"10.1016/j.jaecs.2025.100355","url":null,"abstract":"<div><div>Spray flame synthesis (SFS) is a widely used technique for producing nanoparticles. To optimize corresponding applications, an accurate prediction of flame behavior and precursor distribution is crucial. This study investigates the influence of evaporation on spray flame dynamics by comparing single-component and multi-component evaporation models in direct numerical simulations (DNS) of ethanol sprays containing titanium isopropoxide (TTIP) as precursor under reactive conditions. Simulations are conducted using different TTIP concentrations to assess the sensitivity of evaporation rates, droplet lifetimes, flame structure, and precursor distribution. Results reveal that the multi-component evaporation model leads to slower droplet evaporation, larger droplet diameters, and a thinner flame located closer to the central axis of the jet compared to the simplified, single-component model. In contrast, the single-component model overestimates the evaporation rate (based solely on ethanol properties), resulting in broader flame zones. Scatter plots and time-averaged fields show significant discrepancies in the gas-phase concentrations of ethanol and TTIP between the two models. These differences have important implications for nanoparticle synthesis, where precursor distribution affects particle growth and morphology. These findings emphasize the importance of multi-component evaporation models for accurate simulations of spray flames involving complex liquid mixtures.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100355"},"PeriodicalIF":5.0,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702965","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}

{"title":"Clustering model for Partially Stirred Reactor closures: Application to Cabra jet flames","authors":"Min Zhang ,&nbsp;Han Li ,&nbsp;Salvatore Iavarone ,&nbsp;Arthur Péquin ,&nbsp;Alessandro Parente ,&nbsp;Robert S. Barlow ,&nbsp;Zhi X. Chen","doi":"10.1016/j.jaecs.2025.100352","DOIUrl":"10.1016/j.jaecs.2025.100352","url":null,"abstract":"<div><div>In the field of turbulent reacting flows, combustion phenomena, such as the mixing of cold fuel with hot products, propagation of flames, and auto-ignition, are profoundly affected by interactions between turbulence and chemistry, known as turbulence-chemistry interactions (TCI). Accurately modeling these intricate combustion processes requires a closure adept at capturing TCI behavior. Among the existing combustion models, the Partially Stirred Reactor (PaSR) model, as one of the finite-rate chemistry models, has shown significant suitability for modeling TCI within various combustion regimes. The modeling of chemical and mixing time scales is crucial to the performance of the PaSR model. Although numerous studies have extensively explored these aspects in separate efforts, there is a notable lack of a systematic study on employing the PaSR model to turbulent flames with multiple combustion regimes. In the present study, the Cabra flame, a vitiated coflow flame with multiple combustion regimes, is investigated by using large eddy simulations (LES) coupled with the PaSR model. Particular emphasis is placed on evaluating the combinations of the chemical and mixing time scales. Twelve combinations, involving three distinct chemical time scales and four different mixing time scales, are evaluated. The results reveal that both the chemical and mixing time scales significantly influence the model’s predictive accuracy, and various combinations exhibit varied predictive strengths in flame transition and diffusion regions. Based on the findings from these twelve combinations, a clustering model for Partially Stirred Reactor closure is first proposed. The model performance is then assessed, showing a better prediction in mean and root mean square values of temperature and species concentrations, as well as probability density functions of the reaction fraction, as compared to the traditional PaSR models.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100352"},"PeriodicalIF":5.0,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144702964","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}

{"title":"Detecting and characterizing thermoacoustic oscillations in an industrial combustor with the spectral proper orthogonal decomposition","authors":"H. Gambassi ,&nbsp;N. Sekularac ,&nbsp;P. Ziade ,&nbsp;M.A. Mohamad ,&nbsp;X. Fang","doi":"10.1016/j.jaecs.2025.100344","DOIUrl":"10.1016/j.jaecs.2025.100344","url":null,"abstract":"<div><div>This study demonstrates how thermoacoustic oscillations occurring at multiple frequencies in a combustor with mechanical vibrations can be detected and characterized using high-speed chemiluminescence imaging and the time-domain Spectral Proper Orthogonal Decomposition (SPOD). Three turbulent premixed methane-air flames with different morphologies are presented: an M-flame, a Bunsen flame, and a third case featuring a bistable flame that intermittently transitions between these two flame shapes. The analysis of these cases demonstrates how the SPOD can be used to (1) separate the influence of mechanical vibrations on chemiluminescence measurements from other frequency-centered phenomena, (2) characterize heat release rate oscillations in space and time with modes that describe periodic phenomena with both wide- and narrow-band spectral signatures, and (3) reveal deterministic dynamics with a low signal-to-noise ratio that were not easily detectable in the power spectral densities of either the spatially averaged <span><math><msup><mrow><mi>OH</mi></mrow><mrow><mo>∗</mo></mrow></msup></math></span> chemiluminescence intensity or the pressure signal recorded upstream of the flame. In addition, this article also discusses how the SPOD enabled the identification of a correlation between the decay of a thermoacoustic mode and the state of a bistable flame.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"23 ","pages":"Article 100344"},"PeriodicalIF":5.0,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144634101","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}