Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138510
Chunji Zhuang , Lijing Zhang , Hui Huang , Xiyang Cai , Yinglong Huang , Xingyan Cao , Zhirong Wang
This study investigated the process of Deflagration to Detonation Transition (DDT) in a cylindrical vessel (L/D = 1.4, V = 17.17 L) connected to a pipe (3230 mm × ϕ 22.1 mm). An experimental study was conducted on the hydrogen–oxygen (H2-O2) combustion system (equivalence ratios φ = 0.2, 0.4, 0.6, 0.8, 1.0, 2.0, 3.0, 4.0 and 5.0) from the ignition of the flame to the subsequent propagation of detonation in the vessel-pipe geometry. The results show that vessel-pipe pre-compression effectively promotes rapid detonation transition. For φ ≤ 1.0, the geometric discontinuity promoted quasi-detonation or detonation initiation through turbulent pre-compression. In contrast, for φ>1.0, detonation initiation only after progressive flame acceleration in the pipe, culminating in reflected detonation at the closed end. The distribution scenarios of detonation overpressure were analyzed to predict the transient loading on the rigid wall. Extreme reflection detonation overpressure was observed at the pipe end for φ = 4.0 and 5.0. Furthermore, an empirical model correlating detonation initiation distance with φ = 2.0∼5.0 was developed. These findings provided insights into DDT mechanisms and transient pressure loading in confined vessel-pipe systems, providing guidance for explosion safety in hydrogen and oxygen environments.
本研究研究了在连接管道(3230 mm × φ 22.1 mm)的圆柱形容器(L/D = 1.4, V = 17.17 L)中爆燃到爆轰过渡(DDT)的过程。实验研究了等效比φ = 0.2、0.4、0.6、0.8、1.0、2.0、3.0、4.0和5.0的氢-氧(H2-O2)燃烧系统从火焰的点燃到随后爆轰在容器-管道几何结构中的传播过程。结果表明,管壳预压缩能有效促进爆轰的快速过渡。当φ≤1.0时,几何不连续性通过湍流预压缩促进准爆震或爆震起爆。而对于φ>1.0,爆轰起爆需要火焰在管道内逐步加速,最终在密闭端发生反射爆轰。分析了爆轰超压分布情况,预测了刚性壁面的瞬态载荷。φ = 4.0和5.0时,在管端观察到极端反射爆震超压。此外,建立了爆轰起爆距离与φ = 2.0 ~ 5.0相关的经验模型。这些发现为滴滴涕机制和密闭容器管道系统中的瞬态压力加载提供了见解,为氢和氧环境中的爆炸安全提供了指导。
{"title":"Flame transition and detonation overpressure distribution of H2-O2 mixtures with different equivalence ratios in vessel-pipe geometry","authors":"Chunji Zhuang , Lijing Zhang , Hui Huang , Xiyang Cai , Yinglong Huang , Xingyan Cao , Zhirong Wang","doi":"10.1016/j.fuel.2026.138510","DOIUrl":"10.1016/j.fuel.2026.138510","url":null,"abstract":"<div><div>This study investigated the process of Deflagration to Detonation Transition (DDT) in a cylindrical vessel (<em>L</em>/<em>D</em> = 1.4, <em>V</em> = 17.17 L) connected to a pipe (3230 mm × <em>ϕ</em> 22.1 mm). An experimental study was conducted on the hydrogen–oxygen (H<sub>2</sub>-O<sub>2</sub>) combustion system (equivalence ratios <em>φ</em> = 0.2, 0.4, 0.6, 0.8, 1.0, 2.0, 3.0, 4.0 and 5.0) from the ignition of the flame to the subsequent propagation of detonation in the vessel-pipe geometry. The results show that vessel-pipe pre-compression effectively promotes rapid detonation transition. For <em>φ</em> ≤ 1.0, the geometric discontinuity promoted quasi-detonation or detonation initiation through turbulent pre-compression. In contrast, for <em>φ</em>>1.0, detonation initiation only after progressive flame acceleration in the pipe, culminating in reflected detonation at the closed end. The distribution scenarios of detonation overpressure were analyzed to predict the transient loading on the rigid wall. Extreme reflection detonation overpressure was observed at the pipe end for <em>φ =</em> 4.0 and 5.0. Furthermore, an empirical model correlating detonation initiation distance with <em>φ =</em> 2.0∼5.0 was developed. These findings provided insights into DDT mechanisms and transient pressure loading in confined vessel-pipe systems, providing guidance for explosion safety in hydrogen and oxygen environments.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138510"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076439","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138531
Xinglong Liu , Zhenxiong Wang , Jianbin Li , Qingguang Zhu , Suhang Chen , Kaichuang Zhang , Manhui Wei , Fengqi Zhao , Kangzhen Xu
Boron (B) powders are widely utilized as energetic materials (EMs) due to high combustion calorific value, but the oxide layer (B2O3) that adhering on active B core results in long ignition delay time and low combustion efficiency. For solving the negative influence of B2O3 and promoting the combustion performances of B powders, a simple solvent-evaporation self-assembly (SESA) method was employed to guide B particles adhere on the surface of BiF3 nanosphere, where BiF3 nanosphere was synthesized by hydrothermal method and nitrocellulose (NC) was used as binder. Then the structural and combustion properties of prepared samples were characterized and investigated by various technical methods. The results reveal that B/BiF3/NC (NC: 5 wt%) exhibits the highest calorific value (Qv = 15.85 ± 0.059 kJ·g−1) compared to B/CuO/NC, B/Bi2O3/NC and B/Co3O4/NC, which is 1.81 times that of original B/BiF3 (8.74 ± 0.050 kJ·g−1). Moreover, B/BiF3/NC shows superior pressurization rate (33.82 ± 2.02 kPa·ms−1), moderate combustion process and adjustable combustion rate. This study offers an effective method to improve the combustion of B powders.
{"title":"Enhanced laser ignition and combustion performance of Boron-based energetic materials via nitrocellulose-coated nano-spherical BiF3","authors":"Xinglong Liu , Zhenxiong Wang , Jianbin Li , Qingguang Zhu , Suhang Chen , Kaichuang Zhang , Manhui Wei , Fengqi Zhao , Kangzhen Xu","doi":"10.1016/j.fuel.2026.138531","DOIUrl":"10.1016/j.fuel.2026.138531","url":null,"abstract":"<div><div>Boron (B) powders are widely utilized as energetic materials (EMs) due to high combustion calorific value, but the oxide layer (B<sub>2</sub>O<sub>3</sub>) that adhering on active B core results in long ignition delay time and low combustion efficiency. For solving the negative influence of B<sub>2</sub>O<sub>3</sub> and promoting the combustion performances of B powders, a simple solvent-evaporation self-assembly (SESA) method was employed to guide B particles adhere on the surface of BiF<sub>3</sub> nanosphere, where BiF<sub>3</sub> nanosphere was synthesized by hydrothermal method and nitrocellulose (NC) was used as binder. Then the structural and combustion properties of prepared samples were characterized and investigated by various technical methods. The results reveal that B/BiF<sub>3</sub>/NC (NC: 5 wt%) exhibits the highest calorific value (<em>Q</em><sub>v</sub> = 15.85 ± 0.059 kJ·g<sup>−1</sup>) compared to B/CuO/NC, B/Bi<sub>2</sub>O<sub>3</sub>/NC and B/Co<sub>3</sub>O<sub>4</sub>/NC, which is 1.81 times that of original B/BiF<sub>3</sub> (8.74 ± 0.050 kJ·g<sup>−1</sup>). Moreover, B/BiF<sub>3</sub>/NC shows superior pressurization rate (33.82 ± 2.02 kPa·ms<sup>−1</sup>), moderate combustion process and adjustable combustion rate. This study offers an effective method to improve the combustion of B powders.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138531"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076131","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138497
Jing Zhou , Bao-Kun Shi , Qing-He Ma , Ya-Ya Ma , Jie Yuan , Wen-Long Mo , Feng-Jun Ding , Bing Hu , Xing Fan , Xian-Yong Wei , Hai-Bao Huang
Crude phenol distillation residue (CPDR), a complex and hazardous by-product from coal tar processing, currently lacks sustainable treatment methods. In this paper, vacuum distillation was employed to separate it into four fractions: F-120 (≤120 °C), F120-150 (120–150 °C), F150-180 (150–180 °C), and F180-210 (180–210 °C), which were characterized by GC/MS. Results showed total distillate yields of 12.55 %, with phenolic compounds constituting over 60 % across the fractions. Mono-substituted phenols dominated the low- and high-boiling fractions, while poly-substituted phenols were concentrated in intermediate fractions. TGA and Py-GC/MS analyses revealed distinct pyrolysis behaviors: CPDR released mainly low-boiling phenols (66.19 %) and esters (16.62 %) at 160 °C, whereas the distillation residue (CPDR-R) underwent cracking at 223 °C to produce long-chain alkanes (31.52 %), arenes (16.38 %), and esters (14.22 %). This work conducts a pioneering investigation into the composition and thermochemical conversion of CPDR, demonstrating promising pathways for resource recovery: phenolic fractions as feedstocks for fine chemicals, and CPDR-R-derived products for applications in biofuels and lubricants. These findings provide fundamental insights for the sustainable management of this understudied industrial waste.
{"title":"Composition characteristics of the distillation waste residue from coal gasification crude phenol and pyrolysis product distribution of the corresponding residue","authors":"Jing Zhou , Bao-Kun Shi , Qing-He Ma , Ya-Ya Ma , Jie Yuan , Wen-Long Mo , Feng-Jun Ding , Bing Hu , Xing Fan , Xian-Yong Wei , Hai-Bao Huang","doi":"10.1016/j.fuel.2026.138497","DOIUrl":"10.1016/j.fuel.2026.138497","url":null,"abstract":"<div><div>Crude phenol distillation residue (CPDR), a complex and hazardous by-product from coal tar processing, currently lacks sustainable treatment methods. In this paper, vacuum distillation was employed to separate it into four fractions: F-120 (≤120 °C), F120-150 (120–150 °C), F150-180 (150–180 °C), and F180-210 (180–210 °C), which were characterized by GC/MS. Results showed total distillate yields of 12.55 %, with phenolic compounds constituting over 60 % across the fractions. Mono-substituted phenols dominated the low- and high-boiling fractions, while poly-substituted phenols were concentrated in intermediate fractions. TGA and Py-GC/MS analyses revealed distinct pyrolysis behaviors: CPDR released mainly low-boiling phenols (66.19 %) and esters (16.62 %) at 160 °C, whereas the distillation residue (CPDR-R) underwent cracking at 223 °C to produce long-chain alkanes (31.52 %), arenes (16.38 %), and esters (14.22 %). This work conducts a pioneering investigation into the composition and thermochemical conversion of CPDR, demonstrating promising pathways for resource recovery: phenolic fractions as feedstocks for fine chemicals, and CPDR-R-derived products for applications in biofuels and lubricants. These findings provide fundamental insights for the sustainable management of this understudied industrial waste.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138497"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076266","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138540
Feixiang Zhong , Qingzhao Li , Cheng Zhai , Baiquan Lin , Jianyun Zhu , Xiaoliang Zheng , Xijian Li
This study investigates the flame dynamics of methane premixed gas under the influence of microchannels with varying pore scales (Pore diameters: , and ). A series of flame propagation experiments were conducted using a modular, two-section visualization duct (i.e., Duct 1 and Duct 2) equipped with interchangeable microchannel components. The system enabled quantitative analysis of flame propagation behavior, flame luminosity, flame velocity and combustion pressure dynamics. Results reveal three distinct flame propagation modes affected by the different scale microchannel: Flame quenching, Secondary ignition and Flame backflow. The flame-wall interaction becomes increasingly pronounced with the reduction of microchannel diameter from to , the safe operating range for the instantaneous flame entry velocity () expands from to . Moreover, the flame quenching is more readily induced within microchannels due to the greater sensitivity of rich-methane flame on the wall-cooling inhibition. During flame backflow into Duct 2, the turbulence generated near the microchannel exit significantly enhances the combustion intensity, which is dependent on the pore scale. Moreover, flame velocity exhibits oscillations under the influence of microchannels which subsequently trigger flame instability, that further reinforces the turbulent combustion. However, this mechanism is primarily effective for rich methane-air mixtures and exerts a minimal influence on lean premixed flames. These findings provide critical insights into microscale flame stabilization mechanisms and establish quantitative safety criteria for the porous medium heat storage burner.
{"title":"Effect of the different scale microchannels on the flame dynamics of methane/air mixture in modular duct","authors":"Feixiang Zhong , Qingzhao Li , Cheng Zhai , Baiquan Lin , Jianyun Zhu , Xiaoliang Zheng , Xijian Li","doi":"10.1016/j.fuel.2026.138540","DOIUrl":"10.1016/j.fuel.2026.138540","url":null,"abstract":"<div><div>This study investigates the flame dynamics of methane premixed gas under the influence of microchannels with varying pore scales (Pore diameters: <span><math><mrow><mi>d</mi><mo>=</mo><mn>2</mn><mi>m</mi><mi>m</mi></mrow></math></span>, <span><math><mrow><mi>d</mi><mo>=</mo><mn>4</mn><mi>m</mi><mi>m</mi></mrow></math></span> and <span><math><mrow><mi>d</mi><mo>=</mo><mn>6</mn><mi>m</mi><mi>m</mi></mrow></math></span>). A series of flame propagation experiments were conducted using a modular, two-section visualization duct (i.e., Duct 1 and Duct 2) equipped with interchangeable microchannel components. The system enabled quantitative analysis of flame propagation behavior, flame luminosity, flame velocity and combustion pressure dynamics. Results reveal three distinct flame propagation modes affected by the different scale microchannel: Flame quenching, Secondary ignition and Flame backflow. The flame-wall interaction becomes increasingly pronounced with the reduction of microchannel diameter from <span><math><mrow><mi>d</mi><mo>=</mo><mn>6</mn><mi>m</mi><mi>m</mi></mrow></math></span> to <span><math><mrow><mi>d</mi><mo>=</mo><mn>2</mn><mi>m</mi><mi>m</mi></mrow></math></span>, the safe operating range for the instantaneous flame entry velocity (<span><math><mrow><msubsup><mi>v</mi><mrow><mi>ins</mi></mrow><mn>1</mn></msubsup></mrow></math></span>) expands from <span><math><mrow><msubsup><mi>v</mi><mrow><mi>ins</mi></mrow><mn>1</mn></msubsup><mo>≤</mo><mn>2.3</mn><mi>m</mi><mo>/</mo><mi>s</mi></mrow></math></span> to <span><math><mrow><msubsup><mi>v</mi><mrow><mi>ins</mi></mrow><mn>1</mn></msubsup><mo>≤</mo><mn>3.8</mn><mi>m</mi><mo>/</mo><mi>s</mi></mrow></math></span>. Moreover, the flame quenching is more readily induced within microchannels due to the greater sensitivity of rich-methane flame on the wall-cooling inhibition. During flame backflow into Duct 2, the turbulence generated near the microchannel exit significantly enhances the combustion intensity, which is dependent on the pore scale. Moreover, flame velocity exhibits oscillations under the influence of microchannels which subsequently trigger flame instability, that further reinforces the turbulent combustion. However, this mechanism is primarily effective for rich methane-air mixtures and exerts a minimal influence on lean premixed flames. These findings provide critical insights into microscale flame stabilization mechanisms and establish quantitative safety criteria for the porous medium heat storage burner.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138540"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076442","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2025.137999
Somayyeh Nikkhah , Sohrab Zendehboudi , Nima Rezaei , Noori M. Cata Saady
The continued reliance on fossil fuels has significantly increased greenhouse gas (GHG) emissions, particularly carbon dioxide (CO2), thus accelerating global warming. Direct air capture (DAC) has emerged as a promising negative emission technology capable of extracting CO2 directly from ultra-dilute atmospheric concentrations. Unlike point-source capture, DAC offers the advantage of deployment location flexibility and global scalability; however, its effectiveness depends on the development of advanced sorbent materials with high CO2 selectivity, low regeneration energy requirements, and long-term stability under realistic operating conditions. Metal–organic frameworks (MOFs), an emerging class of porous crystalline materials, have attracted a significant interest for DAC applications due to their tunable porosity, chemical versatility, and potential for functionalization.
This study critically evaluates state-of-the-art MOFs, including pure frameworks, amine-functionalized, hybrid ultra-microporous materials, and MOF-based membranes, by comparing their performances under DAC-relevant conditions and identifying the most promising candidates. Beyond reviewing the material key performance indicators (KPIs), the review assesses key technical, economic, and environmental barriers that currently hinder large-scale deployment of MOF-based DAC technologies. Challenges such as energy-intensive synthesis routes, material costs, structural deformation under moisture, and integration into process configurations are discussed. In addition, design strategies, including scalable and low-cost synthesis methods, surface functionalization for improved CO2 binding, and innovative regeneration schemes, are highlighted as potential solutions. By critically evaluating and integrating recent advances and outlining future research pathways, this work aims to provide a comprehensive framework for accelerating the implementation of MOF-based DAC systems within carbon-negative technologies.
{"title":"A comprehensive review of metal–organic frameworks (MOFs) applications as sorbents and membranes for carbon capture through direct air capture (DAC) technology","authors":"Somayyeh Nikkhah , Sohrab Zendehboudi , Nima Rezaei , Noori M. Cata Saady","doi":"10.1016/j.fuel.2025.137999","DOIUrl":"10.1016/j.fuel.2025.137999","url":null,"abstract":"<div><div>The continued reliance on fossil fuels has significantly increased greenhouse gas (GHG) emissions, particularly carbon dioxide (CO<sub>2</sub>), thus accelerating global warming. Direct air capture (DAC) has emerged as a promising negative emission technology capable of extracting CO<sub>2</sub> directly from ultra-dilute atmospheric concentrations. Unlike point-source capture, DAC offers the advantage of deployment location flexibility and global scalability; however, its effectiveness depends on the development of advanced sorbent materials with high CO<sub>2</sub> selectivity, low regeneration energy requirements, and long-term stability under realistic operating conditions. Metal–organic frameworks (MOFs), an emerging class of porous crystalline materials, have attracted a significant interest for DAC applications due to their tunable porosity, chemical versatility, and potential for functionalization.</div><div>This study critically evaluates state-of-the-art MOFs, including pure frameworks, amine-functionalized, hybrid ultra-microporous materials, and MOF-based membranes, by comparing their performances under DAC-relevant conditions and identifying the most promising candidates. Beyond reviewing the material key performance indicators (KPIs), the review assesses key technical, economic, and environmental barriers that currently hinder large-scale deployment of MOF-based DAC technologies. Challenges such as energy-intensive synthesis routes, material costs, structural deformation under moisture, and integration into process configurations are discussed. In addition, design strategies, including scalable and low-cost synthesis methods, surface functionalization for improved CO<sub>2</sub> binding, and innovative regeneration schemes, are highlighted as potential solutions. By critically evaluating and integrating recent advances and outlining future research pathways, this work aims to provide a comprehensive framework for accelerating the implementation of MOF-based DAC systems within carbon-negative technologies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 137999"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146075901","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138415
Zimeng Xu , Qunfeng Chen , Menghan Yang , Qi Zhang , Xuelai Zhao , Xinghua Zhang , Longlong Ma
Double-condensation products derived from biomass platform molecules serve as key precursors for bio-jet fuel. Upon hydrodeoxygenation, these products meet critical performance requirements for aviation fuel, including density and calorific value. The highly selective synthesis of double-condensation precursors is thus a crucial unit in the bio-jet fuel production process. Herein, the phenyl-modified basic zirconium phosphate catalyst (ZrKP-Ph) exhibited excellent catalytic performance in the condensation reaction of biomass-derived furfural and cyclopentanone. The furfural conversion was 93.49 %, with the yield of the double-condensation product FCF reaching 90.64 %, and selectivity approaching 100 % (100 °C, 12 h). Potassium modification created more effective acid-base catalytic active sites. The introduction of organic groups (phenyl and methyl) significantly increased the specific surface area and enhanced its surface hydrophobicity, and facilitated the accumulation of reactants at the active sites and the desorption of products. Based on these findings, the mechanism of the condensation reaction between furfural and cyclopentanone was proposed. Finally, kinetic simulations indicated that ZrKP-Ph effectively reduced the activation energy of the double-condensation reaction (49.69 kJ/mol), confirming the promoting effect of organic group incorporation on the mass transfer process. This study presents a novel strategy for the targeted conversion of renewable biomass-derived chemicals into jet fuel.
{"title":"A hydrophobic amphoteric catalyst based on organic-modified basic zirconium phosphate in the directed synthesis of furfural-cyclopentanone double-condensation products","authors":"Zimeng Xu , Qunfeng Chen , Menghan Yang , Qi Zhang , Xuelai Zhao , Xinghua Zhang , Longlong Ma","doi":"10.1016/j.fuel.2026.138415","DOIUrl":"10.1016/j.fuel.2026.138415","url":null,"abstract":"<div><div>Double-condensation products derived from biomass platform molecules serve as key precursors for bio-jet fuel. Upon hydrodeoxygenation, these products meet critical performance requirements for aviation fuel, including density and calorific value. The highly selective synthesis of double-condensation precursors is thus a crucial unit in the bio-jet fuel production process. Herein, the phenyl-modified basic zirconium phosphate catalyst (ZrKP-Ph) exhibited excellent catalytic performance in the condensation reaction of biomass-derived furfural and cyclopentanone. The furfural conversion was 93.49 %, with the yield of the double-condensation product FCF reaching 90.64 %, and selectivity approaching 100 % (100 °C, 12 h). Potassium modification created more effective acid-base catalytic active sites. The introduction of organic groups (phenyl and methyl) significantly increased the specific surface area and enhanced its surface hydrophobicity, and facilitated the accumulation of reactants at the active sites and the desorption of products. Based on these findings, the mechanism of the condensation reaction between furfural and cyclopentanone was proposed. Finally, kinetic simulations indicated that ZrKP-Ph effectively reduced the activation energy of the double-condensation reaction (49.69 kJ/mol), confirming the promoting effect of organic group incorporation on the mass transfer process. This study presents a novel strategy for the targeted conversion of renewable biomass-derived chemicals into jet fuel.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138415"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076443","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138550
Chenhong Yuan , Yimin Xie , Jingjing Wang , Shan Ren , Lang Liu , Yuanpei Lan , Chunyan Xu
Co-pyrolysis is an effective technology for the simultaneous and efficient utilisation of biomass and coal gangue (CG). However, the key factors influencing the properties of co-pyrolysis char at different stages remain unclear. In this study, TG and multiple kinetic models (FWO, KAS, Friedman, and DAEM) were employed to analyse the synergistic effects and stage division of the co-pyrolysis process of biomass (coix seed straw, CSS) and CG. The results indicate that CSS8CG2(CSS: CG = 8:2) exhibited optimal performance, and the pyrolysis process can be divided into three distinct stages: drying (<150°C), rapid pyrolysis (150–450°C), and carbonisation (>450°C). By integrating characterisation techniques such as GC, TG-FTIR, XRD, BET and SEM-EDS, the main structural evolution during each stage was systematically revealed: the drying stage primarily involved the removal of moisture and light volatiles; the rapid pyrolysis stage was accompanied by intense decomposition of cellulose/hemicellulose and significant pore structure development (20.12 nm); the carbonisation stage involved aromatisation reorganisation of the carbon matrix and mineral phase transformation, with XRD confirming the formation of new potassium aluminosilicate crystalline phases (KAlSiO4, KalSi3O8). These phases catalysed deoxygenation and aromatisation reactions, thereby stabilising the char structure. CSS8CG2 demonstrated optimal pyrolysis characteristics during the rapid pyrolysis stage (400°C): the syngas exhibited a high heating value of 49.5 MJ·kg^-1 (analysed by GC), and the apparent activation energy reached a minimum of 104.83 kJ·mol^-1. Life cycle assessment revealed that processing per kilogram of the mixed sample achieved a carbon reduction benefit of −2356.62 × 10^-4 kg CO2 equivalent, demonstrating strong alignment with national climate targets.
{"title":"Kinetic analysis and structural evolution during the co-pyrolysis of coal gangue and coix seed straw","authors":"Chenhong Yuan , Yimin Xie , Jingjing Wang , Shan Ren , Lang Liu , Yuanpei Lan , Chunyan Xu","doi":"10.1016/j.fuel.2026.138550","DOIUrl":"10.1016/j.fuel.2026.138550","url":null,"abstract":"<div><div>Co-pyrolysis is an effective technology for the simultaneous and efficient utilisation of biomass and coal gangue (CG). However, the key factors influencing the properties of co-pyrolysis char at different stages remain unclear. In this study, TG and multiple kinetic models (FWO, KAS, Friedman, and DAEM) were employed to analyse the synergistic effects and stage division of the co-pyrolysis process of biomass (coix seed straw, CSS) and CG. The results indicate that CSS8CG2(CSS: CG = 8:2) exhibited optimal performance, and the pyrolysis process can be divided into three distinct stages: drying (<150°C), rapid pyrolysis (150–450°C), and carbonisation (>450°C). By integrating characterisation techniques such as GC, TG-FTIR, XRD, BET and SEM-EDS, the main structural evolution during each stage was systematically revealed: the drying stage primarily involved the removal of moisture and light volatiles; the rapid pyrolysis stage was accompanied by intense decomposition of cellulose/hemicellulose and significant pore structure development (20.12 nm); the carbonisation stage involved aromatisation reorganisation of the carbon matrix and mineral phase transformation, with XRD confirming the formation of new potassium aluminosilicate crystalline phases (KAlSiO<sub>4</sub>, KalSi<sub>3</sub>O<sub>8</sub>). These phases catalysed deoxygenation and aromatisation reactions, thereby stabilising the char structure. CSS8CG2 demonstrated optimal pyrolysis characteristics during the rapid pyrolysis stage (400°C): the syngas exhibited a high heating value of 49.5 MJ·kg^-1 (analysed by GC), and the apparent activation energy reached a minimum of 104.83 kJ·mol^-1. Life cycle assessment revealed that processing per kilogram of the mixed sample achieved a carbon reduction benefit of −2356.62 × 10^-4 kg CO<sub>2</sub> equivalent, demonstrating strong alignment with national climate targets.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138550"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076130","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138532
Mohammad Mahdi Mirzaei , Vahid Madadi Avargani , Seyed Ali Agha Mirjalily , Seyed Amir Abbas Oloomi
Photocatalytic CO2 reduction to methanol offers a promising sustainable pathway for carbon utilization, yet inherently low reaction rates arising from poor light utilization and limited active surface area severely restrict practical implementation. This study presents a novel packed monolith-fiber cavity photoreactor integrated with concentrated solar energy, where cylindrical monolith tubes and fiber rods coated with TiO2/1% NiO-InTaO4 catalyst are positioned at the focal point of a parabolic dish concentrator (PDC) to simultaneously maximize photocatalytic surface area and harness both photonic and thermal components of solar radiation. A comprehensive multiphysics CFD framework coupling ray tracing with fluid flow, heat transfer, and reaction kinetics was developed and validated against experimental data. The model was extended to simulate the complete solar photoreactor under realistic diurnal conditions. Results demonstrate exceptional performance with peak CSMP of 16,374 μmol gcat-1h−1 and STY of 5,656 μmol L-1h−1 at solar noon, exceeding conventional systems by 1–2 orders of magnitude through synergistic photothermal activation that elevates reactor temperatures to 365 K. Parametric investigations reveal that the system operates in a photon-limited regime, with optimal focal positioning at 0.75 m achieving 366.5 mol daily methanol production, while 10% over-focusing imposes severe 45.5% productivity penalty. Temperature-dependent kinetics predict 274% performance enhancement compared to isothermal assumptions, confirming that concentrated solar reactors benefit from coupled photonic-thermal mechanisms. The reactor length of 10 cm provides optimal catalyst utilization (20,463 μmol gcat-1h−1), while increasing flow rate from 2.5 to 10 m3 h−1 enhances cumulative production by 12.3%. This work establishes that integrated radiation-flow-reaction modeling provides essential theoretical guidance for designing high-efficiency solar photocatalytic systems for sustainable CO2 valorization.
{"title":"Synergistic photothermal CO2-to-methanol conversion using concentrated solar energy: CFD modeling of a novel packed monolith-fiber cavity reactor","authors":"Mohammad Mahdi Mirzaei , Vahid Madadi Avargani , Seyed Ali Agha Mirjalily , Seyed Amir Abbas Oloomi","doi":"10.1016/j.fuel.2026.138532","DOIUrl":"10.1016/j.fuel.2026.138532","url":null,"abstract":"<div><div>Photocatalytic CO<sub>2</sub> reduction to methanol offers a promising sustainable pathway for carbon utilization, yet inherently low reaction rates arising from poor light utilization and limited active surface area severely restrict practical implementation. This study presents a novel packed monolith-fiber cavity photoreactor integrated with concentrated solar energy, where cylindrical monolith tubes and fiber rods coated with TiO<sub>2</sub>/1% NiO-InTaO<sub>4</sub> catalyst are positioned at the focal point of a parabolic dish concentrator (PDC) to simultaneously maximize photocatalytic surface area and harness both photonic and thermal components of solar radiation. A comprehensive multiphysics CFD framework coupling ray tracing with fluid flow, heat transfer, and reaction kinetics was developed and validated against experimental data. The model was extended to simulate the complete solar photoreactor under realistic diurnal conditions. Results demonstrate exceptional performance with peak CSMP of 16,374 μmol g<sub>cat</sub><sup>-1</sup>h<sup>−1</sup> and STY of 5,656 μmol L<sup>-1</sup>h<sup>−1</sup> at solar noon, exceeding conventional systems by 1–2 orders of magnitude through synergistic photothermal activation that elevates reactor temperatures to 365 K. Parametric investigations reveal that the system operates in a photon-limited regime, with optimal focal positioning at 0.75 m achieving 366.5 mol daily methanol production, while 10% over-focusing imposes severe 45.5% productivity penalty. Temperature-dependent kinetics predict 274% performance enhancement compared to isothermal assumptions, confirming that concentrated solar reactors benefit from coupled photonic-thermal mechanisms. The reactor length of 10 cm provides optimal catalyst utilization (20,463 μmol g<sub>cat</sub><sup>-1</sup>h<sup>−1</sup>), while increasing flow rate from 2.5 to 10 m<sup>3</sup> h<sup>−1</sup> enhances cumulative production by 12.3%. This work establishes that integrated radiation-flow-reaction modeling provides essential theoretical guidance for designing high-efficiency solar photocatalytic systems for sustainable CO<sub>2</sub> valorization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138532"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076128","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138515
Bipro Gain , Muhammad Bilal , Yun-Fan Wang , Ahmed E. Mansy , Muhammad Yousuf , Kai-Ru Jin , Du Wang , Boyang Su , Aqsa Liaqat , Mohammed Khalil , Zhi-Min Wang , Qingli Li , Hannington Nevin Otieno , Zhen-Yu Tian
As a carbon-free energy carrier, ammonia (NH3) is gradually utilized as a dopant in hydrocarbon flames to enable decarbonization while maintaining combustion stability and efficiency. In this work, the influence of NH3 doping (1:0–1:2) on the combustion characteristics of fuel-rich ethane (C2H6) premixed jet flames was investigated. A comprehensive analysis was conducted to characterize the evolution of flame structure, temperature distribution, and radical chemiluminescence across varying equivalence ratios and NH3 doping levels. NH3 doping tends to induce a transformation of flame color, increase the flame height and area, modify temperature distribution along the flame axis, and promote down-to-up heat release. Chemiluminescence spectral analysis shows that increasing NH3 doping leads to a systematic reduction in CH*, OH*, and C2* emission intensities, accompanied by an enhancement of CN* emission, indicating suppressed hydrocarbon‑radical production and increased participation of N2‑intermediate chemistry. Combined flame imaging, temperature, and CFD quantify the redistribution of heat release and the modulation of NOx-CO coupling in NH3 doped, fuel-rich ethane flames. At φ = 2.0, flame height and area increased significantly (from 16.62 mm to 29.72 mm and 71.79 mm2 to 193.63 mm2, respectively), while peak temperature near the burner dropped from 1885°C to 1477°C. However, a moderate rise in downstream temperatures was observed due to delayed combustion. In addition, the pathway analysis shows that both the prompt and fuel-N routes control NO production, with the intermediates HCN and CN playing critical roles. These findings demonstrate that NH3 doping modifies the flame structure and radical pathways, potentially offering trade-offs between combustion efficiency and reduced NOx emissions. This research utilizes critical experimental and simulated data to validate kinetic models and advance cleaner combustion technologies toward sustainable energy goals.
{"title":"Elucidating the role of ammonia doping in modulating combustion dynamics in ethane fuel-rich jet flames","authors":"Bipro Gain , Muhammad Bilal , Yun-Fan Wang , Ahmed E. Mansy , Muhammad Yousuf , Kai-Ru Jin , Du Wang , Boyang Su , Aqsa Liaqat , Mohammed Khalil , Zhi-Min Wang , Qingli Li , Hannington Nevin Otieno , Zhen-Yu Tian","doi":"10.1016/j.fuel.2026.138515","DOIUrl":"10.1016/j.fuel.2026.138515","url":null,"abstract":"<div><div>As a carbon-free energy carrier, ammonia (NH<sub>3</sub>) is gradually utilized as a dopant in hydrocarbon flames to enable decarbonization while maintaining combustion stability and efficiency. In this work, the influence of NH<sub>3</sub> doping (1:0–1:2) on the combustion characteristics of fuel-rich ethane (C<sub>2</sub>H<sub>6</sub>) premixed jet flames was investigated. A comprehensive analysis was conducted to characterize the evolution of flame structure, temperature distribution, and radical chemiluminescence across varying equivalence ratios and NH<sub>3</sub> doping levels. NH<sub>3</sub> doping tends to induce a transformation of flame color, increase the flame height and area, modify temperature distribution along the flame axis, and promote down-to-up heat release. Chemiluminescence spectral analysis shows that increasing NH<sub>3</sub> doping leads to a systematic reduction in CH*, OH*, and C<sub>2</sub>* emission intensities, accompanied by an enhancement of CN* emission, indicating suppressed hydrocarbon‑radical production and increased participation of N<sub>2</sub>‑intermediate chemistry. Combined flame imaging, temperature, and CFD quantify the redistribution of heat release and the modulation of NOx-CO coupling in NH<sub>3</sub> doped, fuel-rich ethane flames. At φ = 2.0, flame height and area increased significantly (from 16.62 mm to 29.72 mm and 71.79 mm<sup>2</sup> to 193.63 mm<sup>2</sup>, respectively), while peak temperature near the burner dropped from 1885°C to 1477°C. However, a moderate rise in downstream temperatures was observed due to delayed combustion. In addition, the pathway analysis shows that both the prompt and fuel-N routes control NO production, with the intermediates HCN and CN playing critical roles. These findings demonstrate that NH<sub>3</sub> doping modifies the flame structure and radical pathways, potentially offering trade-offs between combustion efficiency and reduced NOx emissions. This research utilizes critical experimental and simulated data to validate kinetic models and advance cleaner combustion technologies toward sustainable energy goals.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138515"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076129","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}
Pub Date : 2026-01-28DOI: 10.1016/j.fuel.2026.138383
Yermakhan Gabdulkarimuly , Aknur Temireyeva , Michal Jeremias , Dhawal Shah , Yerbol Sarbassov
Gasification of sewage sludge (SS) is a thermochemical process which converts sludge into a value-added syngas, offering a sustainable alternative treatment to conventional disposal methods such as landfilling, land application, and incineration. This study investigates the gasification of dried sewage sludge in bubbling fluidized bed conditions, primarily focusing on the effects of key operating parameters such as bed temperature, equivalence ratio (ER) and steam-to-fuel ratio (S/F) on syngas composition. A total of 36 experiments were conducted, varying the bed temperatures (650 °C, 750 °C, and 850 °C), ER (0.2, 0.3, and 0.4) and S/F (0.5, 1, and 1.5). The results indicate a direct correlation between the bed temperature and the production of hydrogen and carbon monoxide, while carbon dioxide and methane concentrations decreased with the increasing the bed temperature. The optimum ER was found to be at 0.2, yielding the highest hydrogen and carbon monoxide production. Increasing S/F favored hydrogen generation through the water gas shift reaction (H2O(g) + C(s) → H2 + CO). In addition, experimental results were further validated using Aspen Plus process simulation, which exhibited matching trends in syngas composition.
{"title":"Parametric study of sewage sludge gasification in air and steam environments: Experimental and process simulation","authors":"Yermakhan Gabdulkarimuly , Aknur Temireyeva , Michal Jeremias , Dhawal Shah , Yerbol Sarbassov","doi":"10.1016/j.fuel.2026.138383","DOIUrl":"10.1016/j.fuel.2026.138383","url":null,"abstract":"<div><div>Gasification of sewage sludge (SS) is a thermochemical process which converts sludge into a value-added syngas, offering a sustainable alternative treatment to conventional disposal methods such as landfilling, land application, and incineration. This study investigates the gasification of dried sewage sludge in bubbling fluidized bed conditions, primarily focusing on the effects of key operating parameters such as bed temperature, equivalence ratio (ER) and steam-to-fuel ratio (S/F) on syngas composition. A total of 36 experiments were conducted, varying the bed temperatures (650 °C, 750 °C, and 850 °C), ER (0.2, 0.3, and 0.4) and S/F (0.5, 1, and 1.5). The results indicate a direct correlation between the bed temperature and the production of hydrogen and carbon monoxide, while carbon dioxide and methane concentrations decreased with the increasing the bed temperature. The optimum ER was found to be at 0.2, yielding the highest hydrogen and carbon monoxide production. Increasing S/F favored hydrogen generation through the water gas shift reaction (H<sub>2</sub>O<sub>(g)</sub> + C<sub>(s)</sub> → H<sub>2</sub> + CO). In addition, experimental results were further validated using Aspen Plus process simulation, which exhibited matching trends in syngas composition.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138383"},"PeriodicalIF":7.5,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076206","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}