Applications in Energy and Combustion Science最新文献

{"title":"Large Eddy Simulation of multi-injector flame blow-off sensitivities to inlet biases","authors":"Sandeep Jella ,&nbsp;Gilles Bourque ,&nbsp;Jeffrey Bergthorson","doi":"10.1016/j.jaecs.2025.100331","DOIUrl":"10.1016/j.jaecs.2025.100331","url":null,"abstract":"<div><div>Reactant biases of mass flow rate or stochiometry can result from design trade-offs in industrial implementations of multi-injector, lean-premixed flames. Rules for maximising the lean-extinction limit require additional insight from experiments and/or computations as global scalings may not necessarily apply. Models, however, need extensive validation as the timescale separation between chemistry and turbulence decreases towards the lean limit, and a larger range of thermochemical states may be present. This leads to difficulties in parametrising them accurately. In this work, large eddy simulation (LES) is used to model blow-off in a linear array of lean, swirling, methane-air flames at atmospheric conditions. The LES methodology is assessed with regard to reproducing partial blow-off due to reactant equivalence ratio (<span><math><mi>ϕ</mi></math></span>) and flow rate (<span><math><mover><mrow><mi>m</mi></mrow><mrow><mo>̇</mo></mrow></mover></math></span>) biases. It is found that the blow-off transients at ideal (no bias) and biased conditions are similar with regard to the large-scale effects. Progress variable based flamelet generated manifolds (FGM), as well as transported species, are employed and contrasted. Both methods could reproduce the highly transient nature of blow-off, though the flamelet strategy underpredicts blow-off for some conditions. Using flame-resolved simulations, it is shown that the combustion regime near and during blow-off allows applying flamelet methods. However, the scatter of thermochemical states appears to require more than strain and enthalpy as manifold parameters.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100331"},"PeriodicalIF":5.0,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808386","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":"Insights into the underlying reaction kinetics of gasoline–ethanol interactions and their effects on the auto-ignition characteristics of gasoline/ethanol blends","authors":"Jiaqi Zhang ,&nbsp;Philipp Morsch ,&nbsp;Heiko Minwegen ,&nbsp;Florian vom Lehn ,&nbsp;Xudong Wu ,&nbsp;Karl Alexander Heufer ,&nbsp;Heinz Pitsch ,&nbsp;Liming Cai","doi":"10.1016/j.jaecs.2025.100333","DOIUrl":"10.1016/j.jaecs.2025.100333","url":null,"abstract":"<div><div>Ethanol-blended gasolines show enhanced anti-knock behavior in spark-ignition engines. Fundamental experimental investigations on their auto-ignition behavior are however scarce in the literature. In addition, previous numerical studies present diverse explanations for the effects of ethanol blending on the ignition delay times of gasoline/ethanol blends. These factors motivate the present study, aiming to extend the knowledge on the ignition of gasoline/ethanol blends and the understanding of the underlying reaction kinetics. For this purpose, ignition delay time measurements of the mixtures of a real gasoline fuel blended with ethanol were carried out in a shock tube and a rapid compression machine for range of conditions with respect to temperature, pressure, equivalence ratio, and blending ratio. Numerical modeling of the fuel ignition was performed based on a chemical mechanism, which is proposed in this study to predict the obtained data accurately. The reported datasets, in conjunction with the numerical analyses, demonstrate the significant mitigating impact of ethanol blending on the gasoline reactivity in the low- and intermediate-temperature ranges. It is found that, while the ignition delay times at intermediate temperatures are influenced by both physical dilution and chemical kinetic effects, the retarded ignition at low temperatures below 700 K is solely attributed to the chemical interaction of gasoline surrogate and ethanol in terms of OH radical competition. The OH radical scavenging character of ethanol also leads to a non-linear blending behavior. At high temperatures, the blending of ethanol accelerates the auto-ignition slightly, owing to its moderately higher reactivity at these conditions.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100333"},"PeriodicalIF":5.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermite combustion: Current trends in modeling and future perspectives","authors":"Alain Esteve,&nbsp;Carole Rossi","doi":"10.1016/j.jaecs.2025.100332","DOIUrl":"10.1016/j.jaecs.2025.100332","url":null,"abstract":"<div><div>Aluminum-based reactive composites, such as thermites, represent a unique class of energetic materials characterized by their high energy densities, tunability in combustion properties and safety. Prepared using techniques such as mechanical mixing, milling, and physical vapor deposition, these materials are promising for achieving energetic functions beyond the capabilities of traditional energetic materials. Applications include thermal plugging, smart initiation, pyro-fusing in civilian devices where the use of explosives is not feasible. Unfortunately, engineers and researchers face the lack of predictive combustion models to optimize the thermite materials to a given application. The reason is the insufficient knowledge and quantification of reaction and combustion mechanisms and the key variables governing them. That is why, over the past decades, several approaches and models ranging from atomic-scale modeling to macroscopic simulations using computational fluid dynamics, were developed and are reviewed in this article. These methods provided insights into key reaction pathways, ignition mechanisms, and flame propagation dynamics. Despite these advancements, substantial gaps remain, particularly in capturing multiphase flow dynamics and suboxides condensation/nucleation process during the combustion at high temperature. Boundary-resolved transient direct numerical simulation approach and particle-resolved numerical techniques will allow acquiring knowledge in gas–particle and particle–particle interaction. Recent breakthroughs in machine learning will further accelerate the design and optimization of thermites by enabling the establishment of predictive quantitative structure–property relationships in complement of heavy detailed physical models. This review highlights foundational theoretical developments for thermite materials, and emphasize the need for interdisciplinary efforts particularly between fluid dynamicists and condensed matter physicists to realize the full potential of these versatile energetic materials.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100332"},"PeriodicalIF":5.0,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comparative study of the pyrolytic behavior, product properties, and environmental-economic performance of old corrugated containers recycling using pyrolysis and catalytic graphitization","authors":"Sunwen Xia ,&nbsp;Chen Zhang ,&nbsp;Hewen Zhou ,&nbsp;Yingquan Chen ,&nbsp;Haiping Yang","doi":"10.1016/j.jaecs.2025.100334","DOIUrl":"10.1016/j.jaecs.2025.100334","url":null,"abstract":"<div><div>The pyrolysis technology has shown the potential to effectively convert complex organic matter into high-value-added products. The pyrolysis and iron-catalytic graphitization processes were investigated with a view to converting old corrugated containers into valuable products, with a particular focus on pyrolytic behavior, kinetics and environmental-economic performance. Activation energy of dehydration, devolatilization, and carbonization stages determined by Coats-Redfern method were 162.721 kJ/mol, 173.679 kJ/mol and 245.753 kJ/mol, respectively. During the pyrolysis reaction, as the temperature increased and the H/C atomic ratio declined, the solid char underwent a gradual polymerization process, forming a large aromatic structure. At 800 °C, the hydrogen yield was 4.64 mmol/g and the resulting char was nonporous with a surface area of 32.06 m²/g. Catalytic graphitization method promoted deoxygenation and activation of carbon-hydrogen bonds, resulting in the formation of porous graphitic char. The graphitic char exhibited a high surface area of 292 m²/g and a high graphitization parameter (g) of 0.197. Additionally, a notable increase of 53.6 % was observed in hydrogen yield. The results indicated that catalytic graphitization had the potential to enhance the economic benefit and carbon reduction by up to 2081 % and 190 %, respectively, in comparison to pyrolysis. This study offers insight into an economically and environmentally friendly refining technology for old corrugated containers and the development of more sustainable processes utilizing waste organics as a carbon precursor for the production of graphitic carbon.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100334"},"PeriodicalIF":5.0,"publicationDate":"2025-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Techno-economic assessment of low-carbon ammonia as fuel for the maritime sector","authors":"Wouter Schreuder ,&nbsp;J. Chris Slootweg ,&nbsp;Bob van der Zwaan","doi":"10.1016/j.jaecs.2025.100330","DOIUrl":"10.1016/j.jaecs.2025.100330","url":null,"abstract":"<div><div>Low-carbon ammonia has recently received interest as alternative fuel for the maritime sector. This paper presents a techno-economic analysis of the total cost of ownership (TCO) of a Post-Panamax vessel powered by low-carbon ammonia. We also calculate the annual increase in carbon tax needed to compensate for the increment in TCO compared to a vessel powered by very low sulfur fuel oil. The increment in TCO is calculated as function of propulsion efficiency to account for uncertainties in the thermodynamics of ammonia combustion for three different cost scenarios of low-carbon ammonia. We evaluate the benefits and drawbacks of hydrogen and diesel as dual fuel for three types of propulsion systems: a compression ignition engine, a spark-ignition engine, and a combination of a solid oxide fuel cell (SOFC) system and a spark-ignition engine. We incorporate three different cost levels for ammonia and a variable engine efficiency ranging from 35 % to 55 %. If the ammonia engine has the efficiency of a conventional marine engine, the increment in TCO is 25 % in the most optimistic cost scenario. SOFCs can reach a better efficiency and yield no pollutant emissions, but the reduction in fuel expenses in comparison to conventional combustion engines only offsets their high investment costs at either low engine efficiency or high fuel prices. The increment in TCO and reduction in GHG emissions depend on whether high combustion efficiencies, small dual fuel fractions, and low NO_x, N₂O, and NH₃ emissions can be simultaneously achieved.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100330"},"PeriodicalIF":5.0,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Applicability of Optical Emission Spectroscopy for Industrial Flame Analysis with Hydrogen and Natural Gas Mixtures Based on Laboratory Study","authors":"Arto Rautioaho ,&nbsp;Henri Pauna ,&nbsp;Mikko Jokinen ,&nbsp;Oskari Seppälä ,&nbsp;Elsa Busson ,&nbsp;Lukas Sankowski ,&nbsp;Ville-Valtteri Visuri ,&nbsp;Timo Fabritius","doi":"10.1016/j.jaecs.2025.100329","DOIUrl":"10.1016/j.jaecs.2025.100329","url":null,"abstract":"<div><div>This study investigates optical emission spectroscopy as an analysis method for hydrogen and natural gas burner flames relevant to industrial use. The equipment used was a low-cost industrial spectrometer, which measures light in the wavelength range of 500–1000 nm. Measurements were conducted with an open flame burner and a burner-heated furnace, with different mixture ratios of natural gas and hydrogen. Based on the results, it can be concluded that the relative amount of thermal radiation and soot particles from an open flame can be approximated using optical spectra. When adding hydrogen to a natural gas flame, the solid angle of soot particles rises by the first 5–16% of hydrogen, leading to higher thermal radiation. With higher shares of hydrogen, the solid angle of soot particles decreases radically, leading to lower thermal radiation. The temperatures that were measured from the optical spectra based on radiation from soot particles show that the flame's temperature could be measured up to 46% share of hydrogen. In the burner-heated furnace, the intensive thermal radiation from the inner walls gets mixed with the radiation from the flame, making it easier to determine the temperature of the wall rather than the flame itself. The study also presents the spectroscopic differences between different gas mixtures. In addition, the background phenomena and practical effects of these differences are discussed.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100329"},"PeriodicalIF":5.0,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143621526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the potential of using mixture stratification for reducing the flashback propensity of hydrogen flames","authors":"Faizan Habib Vance,&nbsp;Arne Scholtissek","doi":"10.1016/j.jaecs.2025.100327","DOIUrl":"10.1016/j.jaecs.2025.100327","url":null,"abstract":"<div><div>Hydrogen burns without carbon emissions and can be produced from renewable energy sources. However, hydrogen premixed flames are prone to flashback due to (1) higher burning velocities and (2) stronger preferential diffusion effects compared to hydrocarbon flames. An intentional reduction of flashback propensity is a major challenge for researchers in academia as well as engineers in industry. The root cause of the problem revolves around hydrogen flames stabilizing near sharp edges, where they burn stronger due to flow straining and flame curvature. Since the boundary layer flashback is initiated near the flame base, a localized reduction in the flame speed could hold the key to a corresponding improvement of flashback limits while keeping similar power outputs. To this end, we propose a stratification strategy in which the mixture near the burner wall is made leaner while the bulk mixture is made richer such that the mean equivalence ratio remains constant. Using fully resolved simulations, it is shown that a small stratification near the burner wall can significantly improve the flashback limits while keeping similar thermal output. Geometrical parameters are varied to demonstrate the efficacy of this solution. Conceptual designs for burner nozzles are also presented which could yield the desired stratification profiles at the burner exit, <em>e.g.</em> given sufficient flexibility in burner design utilizing additive manufacturing techniques. Overall, this study provides a practical solution for improving the flashback limits of hydrogen premixed flames.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100327"},"PeriodicalIF":5.0,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143594271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Perspective industry papers on combustion","authors":"Bassam Dally ,&nbsp;José L. Torero","doi":"10.1016/j.jaecs.2024.100315","DOIUrl":"10.1016/j.jaecs.2024.100315","url":null,"abstract":"","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"21 ","pages":"Article 100315"},"PeriodicalIF":5.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Special issue on “Production, Storage and Utilization of Hydrogen”","authors":"Youjun Lu ,&nbsp;Kui Jiao","doi":"10.1016/j.jaecs.2024.100314","DOIUrl":"10.1016/j.jaecs.2024.100314","url":null,"abstract":"","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"21 ","pages":"Article 100314"},"PeriodicalIF":5.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of compact mechanism for lithium-ion battery venting gas fires using Cantera ordinary differential equation neural network algorithm","authors":"Mengjie Li,&nbsp;Hao Hu,&nbsp;Li Lu,&nbsp;Huangwei Zhang","doi":"10.1016/j.jaecs.2025.100326","DOIUrl":"10.1016/j.jaecs.2025.100326","url":null,"abstract":"<div><div>Lithium-ion battery fires pose significant challenges to the development of electric vehicles and energy storage systems due to their potential hazards and complex combustion behavior. To address these issues, this work develops the Cantera Ordinary Differential Equation Neural Network (CODENN) algorithm, which combines the computational power of neural ordinary differential equations with Cantera's advanced chemical kinetics modeling. This integration allows for the optimization of a wide range of chemical reactions, improving both the precision and versatility of reaction mechanism development. Using CODENN, a compact mechanism (COM) was developed by optimizing the Arrhenius parameters of the RED mechanism, which had been overly reduced from the detailed CRECK2003 mechanism (114 species, 1999 reactions). CRECK2003 was chosen for its proven accuracy in predicting the combustion properties of LIB venting gases. The resulting COM mechanism, with 30 species and 213 reactions, achieves a high fidelity of 94.8 % in predicting ignition delay times across equivalence ratios from 0.3 to 2.5, demonstrating the reliability and robustness of CODENN algorithm. Further analysis of speciation data and CO net production rates shows that the COM mechanism closely aligns with the species evolution of the ORI mechanism during autoignition, while exhibiting notably more intense CO production and consumption than the ORI mechanism. Path flux analysis indicates that, despite having shorter reaction chains than the ORI mechanism, the COM mechanism preserves the fundamental physical logic of fuel consumption (CH₄) leading to H₂O formation while introducing additional pathways for the generation and consumption of H and OH radicals. Sensitivity analysis across diverse equivalence ratios and temperatures consistently identifies reaction R5 (H + O₂ ≤&gt; O + OH) as the most temperature-sensitive reaction, underscoring its critical role in reaction kinetics of LIB venting gases.</div></div>","PeriodicalId":100104,"journal":{"name":"Applications in Energy and Combustion Science","volume":"22 ","pages":"Article 100326"},"PeriodicalIF":5.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}