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Interfacial damage mechanisms in hot-recycled asphalt mixtures: A molecular dynamics study considering the blending level between virgin and aged asphalt 热再生沥青混合料界面损伤机制:考虑初沥青与老化沥青混合水平的分子动力学研究
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136345
Chengwei Xing , Mingchen Li , Ruihan Yu , Tian Jin , Bohan Zhu
{"title":"Interfacial damage mechanisms in hot-recycled asphalt mixtures: A molecular dynamics study considering the blending level between virgin and aged asphalt","authors":"Chengwei Xing ,&nbsp;Mingchen Li ,&nbsp;Ruihan Yu ,&nbsp;Tian Jin ,&nbsp;Bohan Zhu","doi":"10.1016/j.fuel.2025.136345","DOIUrl":"10.1016/j.fuel.2025.136345","url":null,"abstract":"<div><div>The use of hot-recycled asphalt mixtures plays a key role in minimizing environmental pollution caused by waste asphalt and reducing energy consumption in the extraction of virgin materials, making it an essential strategy for promoting sustainable development in pavement engineering. Conventional hot recycling processes often yield incomplete blending between virgin and aged asphalt, leading to complex interfacial failure mechanisms at multiple potential interfaces. Current research has yet to fully elucidate these failure behaviors, significantly constraining the practical implementation of high-reclaimed asphalt pavement (RAP)-content mixtures. This study investigated the failure mechanisms of complex interfaces in hot-recycled asphalt mixtures under varying blending levels, combining molecular dynamics (MD) simulations with laboratory performance tests. Molecular models of asphalt with different aging levels and recycled asphalt with various blending levels were constructed. These models, along with interfacial systems involving acidic (quartz) and alkaline (calcite) aggregates, were used to analyze the variations in adhesion and cohesion energies. Experimental results showed that the adhesion strength at the aged asphalt-RAP aggregate interface increased significantly with higher aging levels of asphalt, especially when alkaline aggregates such as calcite were used, due to enhanced ionic and electrostatic interactions. Increasing the blending level between aged and virgin asphalt improved both the asphalt-aggregate adhesion and the asphalt-asphalt cohesion; however, this improvement was more pronounced when the aged asphalt had undergone severe oxidation. The failure location within the mixtures varied with both aggregate lithology and blending levels: in alkaline aggregate systems, interfacial failure primarily occurred between aged and virgin asphalt, while in acidic aggregate systems, the failure shifted from the recycled asphalt-aged asphalt interface to the recycled asphalt-virgin aggregate interface as the blending level increased. The evolution of moisture stability observed in laboratory tests closely matched the trends predicted by MD simulations, confirming the reliability of the simulation results. These findings provided the basis for performance optimization strategies: for alkaline aggregates, enhancing the blending level proved effective in improving mixture performance, while for acidic aggregates, the incorporation of anti-stripping agents or the use of more compatible aggregate types was recommended to ensure durability.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136345"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144723526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Stabilization of lean premixed turbulent flames behind a backward-facing step: Numerical analysis of shear stretch-vorticity effects 后台阶后稀薄预混湍流火焰的稳定:剪切拉伸涡度效应的数值分析
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136402
Byung Chul Choi
{"title":"Stabilization of lean premixed turbulent flames behind a backward-facing step: Numerical analysis of shear stretch-vorticity effects","authors":"Byung Chul Choi","doi":"10.1016/j.fuel.2025.136402","DOIUrl":"10.1016/j.fuel.2025.136402","url":null,"abstract":"<div><div>This study explored the stabilization of lean premixed turbulent flames in a backward-facing step combustor, using Large Eddy Simulation with the Artificially Thickened Flame model in OpenFOAM. Parametric variations in initial temperature (<em>T</em><sub>0</sub> = 300–500 K), Reynolds number (Re = 5000–7000), and equivalence ratio (<em>Φ</em><sub>0</sub> = 0.575–0.650) elucidated the interplay of hydrodynamic and chemical factors governing flame anchoring. The results demonstrate that the flame leading edge shifts upstream with increasing <em>T</em><sub>0</sub>-Re and <em>Φ</em><sub>0</sub>, a trend corroborated by experimental CH* chemiluminescence data. The <em>x</em>-distance of the flame leading edge was driven by a velocity balance mechanism wherein the turbulent flame speed, scaling with the square of the laminar burning velocity, aligned with the local flow velocity. Departing from the effect of turbulence intensity, this analysis for the flame leading edge points identified negative vorticity, induced by the shear-layer velocity gradient, as a key enhancer in the turbulent flame speed through shear stretch. The averaged characteristic rotating velocity exhibited a near-perfect linear relationship with the square of the laminar burning velocity, underscoring its pivotal role in flame stabilization. Morphological analyses indicated increased flame wrinkling under elevated <em>T</em><sub>0</sub>-Re and reduced <em>Φ</em><sub>0</sub>. Acoustically, the overall sound pressure level aligned closely with experimental trends, indicating that the noise generation is attributed to vortex shedding associated with the turbulence intensity at the flame leading edge points. Validated against a two-dimensional domain using the Paczko chemical mechanism, these findings highlight the dominance of shear-induced vorticity over turbulence intensity in flame stabilization, offering fresh insights into flame-turbulence interactions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136402"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Two-phase flow characteristics of high-temperature CO2 and water and dynamic wettability variations in nano-scale coal pores with different sizes and shapes 高温CO2与水在不同尺寸形状纳米煤孔隙中的两相流动特征及动态润湿性变化
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136406
Shunqing Ma , Baiquan Lin , Jiajia Zhao , Xiangliang Zhang , Qian Liu , Ting Liu
{"title":"Two-phase flow characteristics of high-temperature CO2 and water and dynamic wettability variations in nano-scale coal pores with different sizes and shapes","authors":"Shunqing Ma ,&nbsp;Baiquan Lin ,&nbsp;Jiajia Zhao ,&nbsp;Xiangliang Zhang ,&nbsp;Qian Liu ,&nbsp;Ting Liu","doi":"10.1016/j.fuel.2025.136406","DOIUrl":"10.1016/j.fuel.2025.136406","url":null,"abstract":"<div><div>Coal, a typical porous medium, contains numerous nano-scale pores with varying sizes and shapes within its matrix. Since wettability variations in these pores are crucial for gas–liquid flow, they considerably affect the efficiency of coalbed methane (CBM) extraction. In this study, the morphologies of coal pores subjected to high-temperature and high-pressure CO<sub>2</sub> treatment were observed by means of scanning electron microscopy (SEM) and atomic force microscopy (AFM). Based on these observations, molecular dynamics simulations were conducted to construct several typical water-bearing pore models. With these models, the characteristics of gas–liquid flow and wettability variations during CO<sub>2</sub> injection were explored. The results reveal that the wetting mode of droplets is closely related to the pore size, with droplets that exist in a Type I wetting mode boasting better wettability than those that exist in a Type II wetting mode. During the transition from water-wet to gas-wet states, maintaining the continuous movement of droplets proves to be more challenging than detaching them from their initial adsorbed configurations. CO<sub>2</sub> displaces water molecules in pores through two distinct mechanisms (competitive wetting and high-speed impact). In pores with weak water-wet properties, CO<sub>2</sub> advances in a crescent shape; otherwise, it progresses in a planar shape. Due to their different patterns of wettability variation, the displacement rates of water molecules in connected pores are remarkably higher than those in semi-closed pores. These findings, which elucidate the characteristics of gas–water two-phase flow in nano-scale pores and the transition from water-wet to gas-wet states, are beneficial for grasping the reasons for CBM production enhancement after CO<sub>2</sub> injection at the nanoscale.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136406"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Modeling porous media impairment by asphaltenes caused by pressure reduction 模拟压力降低导致沥青质对多孔介质的损害
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136365
Dmitry Eskin
{"title":"Modeling porous media impairment by asphaltenes caused by pressure reduction","authors":"Dmitry Eskin","doi":"10.1016/j.fuel.2025.136365","DOIUrl":"10.1016/j.fuel.2025.136365","url":null,"abstract":"<div><div>Porous media impairment by asphaltenes, precipitating from oil due to a pressure reduction below the onset precipitation pressure, is modeled. Two major impairment mechanisms are accounted for by a model developed. First, submicron-sized asphaltene particles, driven by Brownian motion, deposit on porous media surfaces causing a decrease in an equivalent hydraulic radius that leads to a rock permeability reduction. Second, particles agglomerate with each other and relatively large agglomerates plug pore throats contributing into the impairment process. A porous medium is represented by a set of capillary channels with permeability equal to that of real porous rock. Evolution of particle size distribution due to agglomeration is modeled by population balance approach. A process of removal of deposited asphaltenes from pores, caused by entrainment with a viscous flow, is accounted for by an empirical function. The impairment process in a long slimtube, for which experimental data are available, is modeled. The computational results are compared with the experimental ones and meticulously analyzed. A negligibly small contribution of pore plugging into total asphaltene impairment, caused by a pressure drop, is revealed. It is also concluded that only a minor fraction of deposited asphaltenes damages porous medium, whereas the vast majority is flushed away with a flow. An applicability of the model developed to simulation of cylindrical reservoir impairment by asphaltenes is also discussed.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136365"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Chlorine-resistant Ca–Cu and Ba–Cu oxygen carriers in chemical looping combustion of coal and biomass 煤和生物质化学环燃烧中耐氯Ca-Cu和Ba-Cu氧载体
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136386
Mi Yingjie , Ma Jinchen , Huang Zhanggen , Zhao Haibo
{"title":"Chlorine-resistant Ca–Cu and Ba–Cu oxygen carriers in chemical looping combustion of coal and biomass","authors":"Mi Yingjie ,&nbsp;Ma Jinchen ,&nbsp;Huang Zhanggen ,&nbsp;Zhao Haibo","doi":"10.1016/j.fuel.2025.136386","DOIUrl":"10.1016/j.fuel.2025.136386","url":null,"abstract":"<div><div>In chemical looping combustion (CLC) of chlorine-rich coal or biomass, oxygen carriers (OCs) and heat exchange equipment can be severely corroded by chlorine-containing species. Thus, calcium (Ca) and barium (Ba)-based additives were incorporated into copper (Cu)-based OCs via a sol–gel method to construct composite OCs. For the first time, these OCs were applied to achieve high-efficiency chlorine fixation and resistance during solid-fuel CLC. The effects of Ca/Ba-doping on gaseous chlorine fixation and combustion performance were systematically investigated. The experimental results demonstrated that alkaline earth metals in Ca–Cu and Ba–Cu OCs preferentially reacted with HCl, forming stable chlorides, increasing lattice oxygen activity, and promoting gas–solid reactions. Additionally, Ca/Ba doping moderately improved coal and biomass char gasification. Notably, the Ca–Cu OC exhibited superior stability, whereas the combustion efficiency of the Ba–Cu OC was highly temperature-dependent. Increasing the oxygen-to-fuel ratio did not alter the proportion of chlorine converted to HCl. Further analysis revealed that Ca/Ba doping increased the OC specific surface area and pore volume, increasing the contact area with fuels and stabilizing CLC performance. These findings provide insights into the chlorine-capturing mechanisms of alkaline earth metals, advancing the development of chlorine-resistant OCs for efficient CLC applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136386"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Modelling the evolution of voltage inconsistency in proton exchange membrane fuel cell stacks: Temperature and oxygen excess ratio dependencies 模拟质子交换膜燃料电池堆电压不一致的演变:温度和氧气过剩比的依赖关系
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136416
Yu Jiang , Lei Huang , Sidi Dong , Wenli Deng , Xuexia Zhang
{"title":"Modelling the evolution of voltage inconsistency in proton exchange membrane fuel cell stacks: Temperature and oxygen excess ratio dependencies","authors":"Yu Jiang ,&nbsp;Lei Huang ,&nbsp;Sidi Dong ,&nbsp;Wenli Deng ,&nbsp;Xuexia Zhang","doi":"10.1016/j.fuel.2025.136416","DOIUrl":"10.1016/j.fuel.2025.136416","url":null,"abstract":"<div><div>Cell-to-cell inconsistency has emerged as a predominant performance factor in commercial proton exchange membrane fuel cell (PEMFC) stacks. However, prevailing operation management studies emphasize aggregate stack output performance, while neglecting systematic analysis of inter-cell inconsistency. To address this research gap, an in-depth investigation of the voltage inconsistency evolution is conducted by modeling the variation of coefficients <em>α</em> and <em>β</em> in voltage inconsistency<em>-</em>voltage (<em>C<sub>V</sub>-V</em>) model with respect to operating conditions. Regarding the evolution model, both coefficients <em>α</em> and <em>β</em> have been found to exhibit the quadratic polynomial relationships with temperature, while demonstrating exponential function relationships with the oxygen excess ratio (OER), respectively. Experimental data from two commercial stacks are employed to confirm model effectiveness. Verification results indicate that the temperature-dependent <em>C<sub>V</sub></em>(<em>T</em>) model achieves superior performance (RMSE = 0.031) in predicting voltage inconsistency under dynamic temperature variations, representing a 61.73 % improvement over <em>C<sub>V</sub></em>(50) expression (RMSE = 0.081). Furthermore, the OER-evolutionary model <em>C<sub>V</sub></em>(OER) yields an RMSE of only 0.0077 in estimating voltage inconsistency under dynamic OER conditions, corresponding a 51.88 % of error reduction compare to the <em>C<sub>V</sub></em>(2.0) expression (RMSE = 0.016). These findings offer critical insights on estimating voltage inconsistency for the real-world PEMFC systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136416"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144722255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Performance of solid propulsion fuels under simulated deep space exploration conditions 模拟深空探测条件下固体推进燃料性能研究
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136278
Wenke Zhang , Jianzhong Liu , Xiaohui Xue , Tuanwei Xu , Xianghua Chen
{"title":"Performance of solid propulsion fuels under simulated deep space exploration conditions","authors":"Wenke Zhang ,&nbsp;Jianzhong Liu ,&nbsp;Xiaohui Xue ,&nbsp;Tuanwei Xu ,&nbsp;Xianghua Chen","doi":"10.1016/j.fuel.2025.136278","DOIUrl":"10.1016/j.fuel.2025.136278","url":null,"abstract":"<div><div>Solid-state propulsion technology for deep space exploration has emerged as a research priority. We independently designed and constructed a solid propellant ignition test system to simulate low temperature and low pressure environments (temperature range: −55 ℃ to 20 ℃; pressure range: 0.01 atm to 1 atm). The reaction process was thermodynamically simulated using CEA software. Experimental and simulation results were analyzed through advanced data processing algorithms, including image recognition and thermodynamic modeling. The results of the study show that the ignition delay time <em>t</em><sub>ig</sub> of the solid propellant increases by 1.05 s, the burning rate <em>r</em> decreases by 0.33 mm/s, and the expansion velocity of the flame zone on the surface of solid propellant (burning surface expansion rate) <em>u</em> decreases by 1.22 mm<sup>2</sup>/s when the temperature decreases from 13 ℃ to −55 ℃. When the pressure was reduced from 1 atm to 0.3 atm, the ignition delay time <em>t</em><sub>ig</sub> increased by 2.74 s, 2.10 s, and the burning rate <em>r</em> decreased by 0.60 mm/s, 0.45 mm/s for 20 ℃ and −40 ℃ temperatures, respectively. Furthermore, ignition failure occurs under sufficiently low pressures, and the critical pressure threshold for ignition failure increases with decreasing ambient temperature. These findings provide valuable guidance for the application of solid propellants in deep space exploration.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136278"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144722256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Green hydrogen production and potential evaluation via chemical looping reforming of pyrolytic volatiles from reed 芦苇热解挥发物化学环重整绿色制氢及潜力评价
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136350
Chunyu Cheng , Zhongshun Sun , Huili Huang , Gen Liu , Meixin Li , Chen Song , Bolun Yang , Zhiqiang Wu
{"title":"Green hydrogen production and potential evaluation via chemical looping reforming of pyrolytic volatiles from reed","authors":"Chunyu Cheng ,&nbsp;Zhongshun Sun ,&nbsp;Huili Huang ,&nbsp;Gen Liu ,&nbsp;Meixin Li ,&nbsp;Chen Song ,&nbsp;Bolun Yang ,&nbsp;Zhiqiang Wu","doi":"10.1016/j.fuel.2025.136350","DOIUrl":"10.1016/j.fuel.2025.136350","url":null,"abstract":"<div><div>To achieve efficient utilization of waste resources and promote energy transition, this study selected reed, reed leaves and reed stems as raw materials and utilized pyrolysis series chemical looping reforming (CLR) technology to produce green hydrogen. The optimal pyrolysis conditions (pyrolysis raw materials, temperature) and the feasible region of products were explored. The result shows that the optimal pyrolysis raw material is the mixed reed, with a temperature of 600 ℃ (volatiles content of 76.29 % and hydrogen production of 1.73 mg·g<sub>reed</sub><sup>−1</sup>). NiFe<sub>2</sub>O<sub>4</sub> oxygen carrier (OC) was used to explore the optimal operating conditions (temperature, OC dosage and steam addition amounts) for the pyrolysis and volatiles series CLR of reed. This study demonstrates that the volatiles conversion reached 95.83 % at 700 ℃ with a steam input of 0.6 ml, achieving a maximum hydrogen yield of 47.7 mg·g<sub>reed</sub><sup>−1</sup>. In-situ diffuse reflection infrared spectroscopy and thermogravimetric infrared analysis revealed that the dissociation of methane and the further conversion of ketone products might be the rate-limiting steps of the reaction. Furthermore, this study counted and speculated the possibility of hydrogen production from reed in the world. This study provides essential data support for the green and low-carbon hydrogen production from waste resources.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136350"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Macroscopic spray characteristics of diethyl ether-diesel blends in a double injection strategy 双喷策略下二乙醚-柴油混合物的宏观喷雾特性
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136232
Utkarsha Sonawane, Avinash Kumar Agarwal
{"title":"Macroscopic spray characteristics of diethyl ether-diesel blends in a double injection strategy","authors":"Utkarsha Sonawane,&nbsp;Avinash Kumar Agarwal","doi":"10.1016/j.fuel.2025.136232","DOIUrl":"10.1016/j.fuel.2025.136232","url":null,"abstract":"<div><div>The physicochemical properties of test fuels, ambient conditions, and fuel injection strategies strongly influence the spray characteristics. This study experimentally investigated the macroscopic spray characteristics of diethyl ether-diesel blend under a double-split injection strategy. Diesel-diethyl ether blend (DEE40, 40 % diethyl ether in diesel, v/v) spray penetrated faster in the initial stage of spray evolution and exhibited a higher spray penetration rate. However, the liquid penetration length of the spray was comparable to or lower in the later stages of the spray evolution. Diethyl ether spray had a lower density. Hence, a higher injection velocity for DEE40 spray was observed at the start of the injection. However, far-field velocity completely depends on spray droplets’ further breakup and evaporation. Diesel-diethyl ether blends exhibited stronger cavitation inside the injector, improving the spray atomisation compared to baseline diesel. In the far field, the higher vapour pressure of diethyl ether enhanced fuel droplet evaporation with the spray evolution. The liquid spray area also showed similar trends to the liquid penetration length for both test fuels. DEE40 spray not only showed higher axial penetration but also radial spread. However, rapid atomisation and evaporation of DEE40 showed a sudden reduction in liquid penetration length and spray area. The fuel injection pressure of 1200 bar had a higher liquid penetration length than 700 bar for both test fuels due to higher spray momentum. A split injection with a dwell time of 0.15 ms showed higher spray penetration than a single injection case. The immediate push from the second injection pulse accelerated the momentum of the entire fuel spray. In addition, too short dwell time promoted droplet collision and coalescence, increasing the liquid penetration length. The longer dwell time of 0.45 ms and DEE40 spray showed the formation of finer droplets and a lower liquid spray area due to the superior evaporation of these finer droplets.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136232"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144723525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Understanding the mechanism of H2 promoted SrCO3 decomposition in SrCO3/SrO thermochemical energy storage 了解SrCO3/SrO热化学储能中H2促进SrCO3分解的机理
IF 7.5 1区 工程技术
Fuel Pub Date : 2025-07-30 DOI: 10.1016/j.fuel.2025.136407
Youhao Zhang , Yumeng Deng , Jiawen Wu , Yuandong Yang , Zirui He , Yingjie Li
{"title":"Understanding the mechanism of H2 promoted SrCO3 decomposition in SrCO3/SrO thermochemical energy storage","authors":"Youhao Zhang ,&nbsp;Yumeng Deng ,&nbsp;Jiawen Wu ,&nbsp;Yuandong Yang ,&nbsp;Zirui He ,&nbsp;Yingjie Li","doi":"10.1016/j.fuel.2025.136407","DOIUrl":"10.1016/j.fuel.2025.136407","url":null,"abstract":"<div><div>SrCO<sub>3</sub>/SrO thermochemical energy storage is a promising technology. The sintering of strontium-based materials caused by the high temperature during SrCO<sub>3</sub> decomposition is the major challenge for this technology. Herein, a novel method that integrates CO<sub>2</sub> conversion and SrCO<sub>3</sub>/SrO thermochemical energy storage by using H<sub>2</sub> to promote SrCO<sub>3</sub> decomposition was proposed. Experimental results show that at 900 °C, the maximum decomposition rate of SrCO<sub>3</sub> in the H<sub>2</sub> atmosphere is 10 times higher than that in the N<sub>2</sub> atmosphere. Within 600 s, the conversion of SrCO<sub>3</sub> in the H<sub>2</sub> atmosphere is 23 times higher than that in the N<sub>2</sub> atmosphere. Additionally, the selectivity of CO exceeds 93 %. Density functional theory calculations reveal that the optimal reaction pathway for H<sub>2</sub> promoted SrCO<sub>3</sub> decomposition is the one-step decomposition of HCO<sub>3</sub><sup>–</sup>. Electronic density difference analysis shows that H atom adsorption on CO<sub>3</sub><sup>2–</sup> weakens the C–O bonds, effectively decreasing the reaction energy barrier. During the H<sub>2</sub> dissociation process, active sites of the strontium-based material could not catalyze the reaction effectively because of the physical adsorption of H<sub>2</sub>. This results in a high energy barrier of 4.65 eV for this elementary reaction, which thus becomes the rate-determining elementary reaction in the H<sub>2</sub> promoted SrCO<sub>3</sub> decomposition process. Compared with direct decomposition, H<sub>2</sub> promoted SrCO<sub>3</sub> decomposition reduces the rate-determining energy barrier by 16.1 %. Besides, SrO exhibits a self-catalytic effect on the H<sub>2</sub> promoted SrCO<sub>3</sub> decomposition reaction. This study provides a novel strategy for optimizing SrCO<sub>3</sub>/SrO thermochemical energy storage systems and offers a theoretical basis for further development.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"404 ","pages":"Article 136407"},"PeriodicalIF":7.5,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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