IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135154

Amir Masoud Parvanian , Ehsan Baniasadi , Abdollah Lalpour , Nakisa Lalpour , Stéphane Abanades

This study explores the enhanced efficiency of solar-driven redox reactions using ceria foams coated with Ca-doped lanthanum manganite (LCM) perovskite, focusing on sustainable fuel production. The effects of substrate pore density (10, 30 ppi) and coating thickness (3 and 6 perovskite layers) were investigated. The LCM perovskite was synthesized and uniformly coated onto porous ceria substrates, as confirmed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The dual-scale porous structure of ceria enhanced the coating’s effectiveness and reactivity, with coating thicknesses ranging from 75-140 μm (three layers) to 100–400 μm (six layers). Thermogravimetric analysis (TGA) showed superior reduction extents for LCM-coated ceria samples, with O₂ production up to 131 µmol/g, compared to 55 µmol/g for pure ceria. This led to a 20–40 % increase in total fuel production, with CO yields up to 141 µmol/g versus 98 µmol/g for pure ceria. Performance stability for CO₂ and H₂O splitting was confirmed through fifteen consecutive cycles in a high-temperature solar reactor. Solar thermochemical cycling tests showed that LCM-coated ceria foams produced up to 244 µmol/g CO, with a peak CO production rate of 6.22 mL·min^-1·g^-1, during reduction at 1450 °C and oxidation under pure CO₂ below 900 °C. However, pure ceria exhibited faster oxidation kinetics. This research underscores the importance of material design and optimization in improving solar thermochemical processes for large-scale solar fuel production.

{"title":"Lanthanum calcium manganite perovskite coated on porous ceria for enhanced solar thermochemical fuel production","authors":"Amir Masoud Parvanian , Ehsan Baniasadi , Abdollah Lalpour , Nakisa Lalpour , Stéphane Abanades","doi":"10.1016/j.fuel.2025.135154","DOIUrl":"10.1016/j.fuel.2025.135154","url":null,"abstract":"<div><div>This study explores the enhanced efficiency of solar-driven redox reactions using ceria foams coated with Ca-doped lanthanum manganite (LCM) perovskite, focusing on sustainable fuel production. The effects of substrate pore density (10, 30 ppi) and coating thickness (3 and 6 perovskite layers) were investigated. The LCM perovskite was synthesized and uniformly coated onto porous ceria substrates, as confirmed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The dual-scale porous structure of ceria enhanced the coating’s effectiveness and reactivity, with coating thicknesses ranging from 75-140 μm (three layers) to 100–400 μm (six layers). Thermogravimetric analysis (TGA) showed superior reduction extents for LCM-coated ceria samples, with O<sub>2</sub> production up to 131 µmol/g, compared to 55 µmol/g for pure ceria. This led to a 20–40 % increase in total fuel production, with CO yields up to 141 µmol/g versus 98 µmol/g for pure ceria. Performance stability for CO<sub>2</sub> and H<sub>2</sub>O splitting was confirmed through fifteen consecutive cycles in a high-temperature solar reactor. Solar thermochemical cycling tests showed that LCM-coated ceria foams produced up to 244 µmol/g CO, with a peak CO production rate of 6.22 mL·min<sup>-1</sup>·g<sup>-1</sup>, during reduction at 1450 °C and oxidation under pure CO<sub>2</sub> below 900 °C. However, pure ceria exhibited faster oxidation kinetics. This research underscores the importance of material design and optimization in improving solar thermochemical processes for large-scale solar fuel production.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135154"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792676","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

Specific catalytic hydrogenation of 2-butyne-1,4-diol to butane-1,4-diol 将 2-丁炔-1,4-二醇特定催化加氢为丁烷-1,4-二醇

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.134673

Li Li , Xian-Yong Wei , Shun-Hong Lv , Xiang Bai , Yierxiati Dilixiati , Jun-Long Wang , Xiao-Yan He , Zhi-Min Zong , Xing Fan

Butane-1,4-diol (BDO) is a crucial platform compound for producing tetrahydrofuran, γ-butyrolactone, polytetramethylene ether glycol, and polybutylene terephthalate. A novel supported Pd catalyst was prepared, over which 2-butyne-1,4-diol (BYD) can be completely converted to BDO in the yield of 99.8 % in methanol under 3 MPa of H₂ at 35 °C for 80 min. Such mild conditions are far superior to the NVIDTA technology over a rodlike supported nickel under 30 MPa of H₂ at 130–135 °C in industry, so our technology is more practical for industry. The mechanisms for the formation of both BDO and by-products (BPs) were revealed. The type of active hydrogen species generated from H₂ activation has a great influence on the formation of BPs. H^…H transfer plays an essential role in hydrogenating C≡C in BYD to produce BDO, while H⁺ and H^- transfer leads to the generation of the BPs. The BPs from BYD hydrogenation in methanol and ethanol are 2-methoxytetrahydrofuran and 2-hydroxytetrahydrofuran, respectively.

{"title":"Specific catalytic hydrogenation of 2-butyne-1,4-diol to butane-1,4-diol","authors":"Li Li , Xian-Yong Wei , Shun-Hong Lv , Xiang Bai , Yierxiati Dilixiati , Jun-Long Wang , Xiao-Yan He , Zhi-Min Zong , Xing Fan","doi":"10.1016/j.fuel.2025.134673","DOIUrl":"10.1016/j.fuel.2025.134673","url":null,"abstract":"<div><div>Butane-1,4-diol (BDO) is a crucial platform compound for producing tetrahydrofuran, γ-butyrolactone, polytetramethylene ether glycol, and polybutylene terephthalate. A novel supported Pd catalyst was prepared, over which 2-butyne-1,4-diol (BYD) can be completely converted to BDO in the yield of 99.8 % in methanol under 3 MPa of H<sub>2</sub> at 35 °C for 80 min. Such mild conditions are far superior to the NVIDTA technology over a rodlike supported nickel under 30 MPa of H<sub>2</sub> at 130–135 °C in industry, so our technology is more practical for industry. The mechanisms for the formation of both BDO and by-products (BPs) were revealed. The type of active hydrogen species generated from H<sub>2</sub> activation has a great influence on the formation of BPs. H<sup>…</sup>H transfer plays an essential role in hydrogenating C≡C in BYD to produce BDO, while H<sup>+</sup> and H<sup>-</sup> transfer leads to the generation of the BPs. The BPs from BYD hydrogenation in methanol and ethanol are 2-methoxytetrahydrofuran and 2-hydroxytetrahydrofuran, respectively.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 134673"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792679","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

Gas radiation characteristics of non-premixed ammonia–oxygen–nitrogen turbulent jet flames and comparison with methane jet flames under oxygen-enriched conditions 非预混合氨-氧-氮湍流喷射火焰的气体辐射特性以及与富氧条件下甲烷喷射火焰的比较

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135274

Yu Xia , Daichi Matsumoto , Sophie Colson , Taku Kudo , Kai Tanji , Marina Kovaleva , Akihiro Hayakawa , Hideaki Kobayashi

Ammonia, a hydrogen energy carrier and carbon-free fuel, offers significant potential for industrial decarbonization. However, its combustion in air results in lower flame temperatures and weaker radiative heat transfer compared to hydrocarbon fuels. Oxygen-enriched ammonia combustion presents a promising solution, yet its radiation characteristics remain poorly understood. In this work, the radiation spectra and total radiation intensity of ammonia–oxygen–nitrogen and methane–oxygen–nitrogen non-premixed turbulent jet flames were experimentally measured and compared under various oxygen concentrations and heat output conditions up to 10 kW, with a unity global equivalence ratio. Additionally, the radiation spectra and total radiation intensity of ammonia and methane flames were theoretically calculated using HITRAN database and the optically thin model (OTM), respectively, considering the chemically equilibrium burnt gas condition of the mixture. The results demonstrate that water vapor is the predominant radiative gas species in ammonia flames, while water vapor and carbon dioxide are the primary radiative gas species in methane flames. Furthermore, the radiation spectral intensity and total radiation intensity of the flames increase with higher oxygen concentration in the oxidizer and greater heat output condition. The comparison between experimental results and OTM theoretical predictions of the flame total radiation intensity shows that OTM is a reasonable method for estimation of total radiation intensity in these flames. Notably, the total radiation intensity from methane flames is approximately twice that of ammonia flames under identical heat output and oxygen concentration conditions. Moreover, increasing the oxygen mole fraction in the oxidizer to 0.5 boosts the total radiation intensity of ammonia flames to levels comparable to those of methane–air flames. These findings support the potential application of ammonia in various energy facilities and contribute to decarbonization efforts in industrial sectors.

{"title":"Gas radiation characteristics of non-premixed ammonia–oxygen–nitrogen turbulent jet flames and comparison with methane jet flames under oxygen-enriched conditions","authors":"Yu Xia , Daichi Matsumoto , Sophie Colson , Taku Kudo , Kai Tanji , Marina Kovaleva , Akihiro Hayakawa , Hideaki Kobayashi","doi":"10.1016/j.fuel.2025.135274","DOIUrl":"10.1016/j.fuel.2025.135274","url":null,"abstract":"<div><div>Ammonia, a hydrogen energy carrier and carbon-free fuel, offers significant potential for industrial decarbonization. However, its combustion in air results in lower flame temperatures and weaker radiative heat transfer compared to hydrocarbon fuels. Oxygen-enriched ammonia combustion presents a promising solution, yet its radiation characteristics remain poorly understood. In this work, the radiation spectra and total radiation intensity of ammonia–oxygen–nitrogen and methane–oxygen–nitrogen non-premixed turbulent jet flames were experimentally measured and compared under various oxygen concentrations and heat output conditions up to 10 kW, with a unity global equivalence ratio. Additionally, the radiation spectra and total radiation intensity of ammonia and methane flames were theoretically calculated using HITRAN database and the optically thin model (OTM), respectively, considering the chemically equilibrium burnt gas condition of the mixture. The results demonstrate that water vapor is the predominant radiative gas species in ammonia flames, while water vapor and carbon dioxide are the primary radiative gas species in methane flames. Furthermore, the radiation spectral intensity and total radiation intensity of the flames increase with higher oxygen concentration in the oxidizer and greater heat output condition. The comparison between experimental results and OTM theoretical predictions of the flame total radiation intensity shows that OTM is a reasonable method for estimation of total radiation intensity in these flames. Notably, the total radiation intensity from methane flames is approximately twice that of ammonia flames under identical heat output and oxygen concentration conditions. Moreover, increasing the oxygen mole fraction in the oxidizer to 0.5 boosts the total radiation intensity of ammonia flames to levels comparable to those of methane–air flames. These findings support the potential application of ammonia in various energy facilities and contribute to decarbonization efforts in industrial sectors.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135274"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792673","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

Phosphorus doped self-grown multiphase molybdate compounds micrometer arrays for efficient HER and OER

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.134957

Kun Zhang , Yunxia Liang , Shuangqian Liu , Long Wang , Guangtian Ji , Chengwei Yang , Jueming Yang , Jinli Zhang , Guixian Ge

The development of efficient and durable non-precious metal catalysts is pivotal for advancing clean energy technologies. In this study, a phosphorus-doped cobalt-molybdenum-based composite micrometer arrays (CoP@MMoO₄, M = Ni, Fe) were synthesized via a facile hydrothermal and phosphatization strategy. Unlike conventional approaches, the designed phosphatization process not only introduces phosphorus doping but also modulates the material’s microstructure and electronic properties, significantly enhancing the binding energy of active site. The optimized micrometer arrays facilitate effective electron transfer for excellent electrocatalytic performance. Moreover, density functional theory (DFT) calculations reveal that the enhancement of intrinsic activity for micrometer arrays is attributed to the improved electrical conductivity and the strong interaction between O radical and P/Co. The optimized CoP@NiMoO₄ exhibits exceptional catalytic performance, with a low overpotential of 70.97 mV for HER and 204 mV for OER at 10 mA cm⁻², along with remarkable stability over 24 h. These findings highlight the pivotal role of phosphorus in engineering cobalt-molybdenum composites, offering a novel pathway for designing high-performance electrocatalysts for efficient HER and OER.

{"title":"Phosphorus doped self-grown multiphase molybdate compounds micrometer arrays for efficient HER and OER","authors":"Kun Zhang , Yunxia Liang , Shuangqian Liu , Long Wang , Guangtian Ji , Chengwei Yang , Jueming Yang , Jinli Zhang , Guixian Ge","doi":"10.1016/j.fuel.2025.134957","DOIUrl":"10.1016/j.fuel.2025.134957","url":null,"abstract":"<div><div>The development of efficient and durable non-precious metal catalysts is pivotal for advancing clean energy technologies. In this study, a phosphorus-doped cobalt-molybdenum-based composite micrometer arrays (CoP@MMoO<sub>4</sub>, M = Ni, Fe) were synthesized via a facile hydrothermal and phosphatization strategy. Unlike conventional approaches, the designed phosphatization process not only introduces phosphorus doping but also modulates the material’s microstructure and electronic properties, significantly enhancing the binding energy of active site. The optimized micrometer arrays facilitate effective electron transfer for excellent electrocatalytic performance. Moreover, density functional theory (DFT) calculations reveal that the enhancement of intrinsic activity for micrometer arrays is attributed to the improved electrical conductivity and the strong interaction between O radical and P/Co. The optimized CoP@NiMoO<sub>4</sub> exhibits exceptional catalytic performance, with a low overpotential of 70.97 mV for HER and 204 mV for OER at 10 mA cm<sup>−2</sup>, along with remarkable stability over 24 h. These findings highlight the pivotal role of phosphorus in engineering cobalt-molybdenum composites, offering a novel pathway for designing high-performance electrocatalysts for efficient HER and OER.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 134957"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792095","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

Biomass gelatin-derived mesoporous nitrogen-doped carbon networks and its bifunctionality to effectively catalyze oxygen reduction and evolution reactions for rechargeable zinc-air battery 生物质明胶衍生的介孔掺氮碳网络及其双功能性，可有效催化可充电锌-空气电池中的氧还原和进化反应

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135304

Zhongping Xiong , Jingqi Sha , Tao Xu , Min Yao , Chao Wu , Qingxiu Shi , Xingwen Zheng , Yujun Si , Zhiqiang Jiang , Chaozhong Guo

Developing cost-effective bifunctional catalysts with high performance to oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is key to the commercialization of rechargeable zinc-air batteries. Herein, biomass-derived gelatin is utilized as the common source of carbon and nitrogen to fabricate an iron and nitrogen co-doped carbon catalyst to ORR. Mesoporous carbon networks are generated by using silicon dioxide as the pore template in the preparation of the catalyst with a large BET surface area and hierarchical structure. Furthermore, nickel hydroxide particles are anchored on the carbon networks with high dispersion under the buffering of ammonia, which endows the carbon material with OER activity. The resultant catalyst FeGeSi-A2-Ni provides satisfactory bifunctionality to ORR and OER with 0.8693 V of ORR halfwave potential and 398 mV of OER overpotential at 5 mA cm⁻². Practically, the rechargeable zinc-air battery assembled from the FeGeSi-A2-Ni exhibits highly stable rechargeability with ∼ 1.15 V of discharge voltage and ∼ 2.05 V of charge voltage in the total process, being obviously excellent than the battery of Pt/C-RuO₂.

{"title":"Biomass gelatin-derived mesoporous nitrogen-doped carbon networks and its bifunctionality to effectively catalyze oxygen reduction and evolution reactions for rechargeable zinc-air battery","authors":"Zhongping Xiong , Jingqi Sha , Tao Xu , Min Yao , Chao Wu , Qingxiu Shi , Xingwen Zheng , Yujun Si , Zhiqiang Jiang , Chaozhong Guo","doi":"10.1016/j.fuel.2025.135304","DOIUrl":"10.1016/j.fuel.2025.135304","url":null,"abstract":"<div><div>Developing cost-effective bifunctional catalysts with high performance to oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is key to the commercialization of rechargeable zinc-air batteries. Herein, biomass-derived gelatin is utilized as the common source of carbon and nitrogen to fabricate an iron and nitrogen co-doped carbon catalyst to ORR. Mesoporous carbon networks are generated by using silicon dioxide as the pore template in the preparation of the catalyst with a large BET surface area and hierarchical structure. Furthermore, nickel hydroxide particles are anchored on the carbon networks with high dispersion under the buffering of ammonia, which endows the carbon material with OER activity. The resultant catalyst FeGeSi-A2-Ni provides satisfactory bifunctionality to ORR and OER with 0.8693 V of ORR halfwave potential and 398 mV of OER overpotential at 5 mA cm<sup>−2</sup>. Practically, the rechargeable zinc-air battery assembled from the FeGeSi-A2-Ni exhibits highly stable rechargeability with ∼ 1.15 V of discharge voltage and ∼ 2.05 V of charge voltage in the total process, being obviously excellent than the battery of Pt/C-RuO<sub>2</sub>.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135304"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792677","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

Zeolite beta nanosponge supporting uniform sized cobalt nanoparticles, exhibiting high yield of branched hydrocarbons in gasoline range in Fischer-Tropsch synthesis

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135279

Jintae Kim , Juhyun Jeong , Kyungmin Cho , Weonjun Jeong , Yubin Park , Kanghee Cho , Jeong-Chul Kim

We synthesized zeolite beta nanosponge using a zeolite-structure-directing surfactant, resulting in an ultrathin framework with uniform-sized (∼4 nm) mesopores. Notably, the mesopore size was systematically increased to 12 nm by adjusting the amount of trimethylbenzene additive in the synthetic gel. Such a zeolite beta nanosponge with tailoring mesopore diameter was investigated as a support for Co catalyst in Fischer–Tropsch synthesis. Owing to the confinement effect of the mesopores, the size of the Co nanoparticles was precisely controlled to match the mesopore dimensions. Despite the same Co content, CO conversion gradually increased with larger Co particle sizes, reaching an optimal performance at a particle size of 10 nm. A similar trend was observed in the selectivity for gasoline-range hydrocarbons, attributed to the higher chain growth probability associated with larger Co particles. Meanwhile, Co supported on the zeolite beta nanosponge exhibited significantly higher selectivity for iso-paraffins compared to its bulk zeolite and MFI nanosponge counterparts. This enhancement was attributed to the shorter diffusion path, which allowed branched hydrocarbon intermediates to avoid excessive cracking, and the weaker acidity, which reduced the tendency for secondary cracking. Consequently, the Co-supported zeolite beta nanosponge with a 10 nm mesopore size achieved a high yield of branched hydrocarbons in gasoline range.

{"title":"Zeolite beta nanosponge supporting uniform sized cobalt nanoparticles, exhibiting high yield of branched hydrocarbons in gasoline range in Fischer-Tropsch synthesis","authors":"Jintae Kim , Juhyun Jeong , Kyungmin Cho , Weonjun Jeong , Yubin Park , Kanghee Cho , Jeong-Chul Kim","doi":"10.1016/j.fuel.2025.135279","DOIUrl":"10.1016/j.fuel.2025.135279","url":null,"abstract":"<div><div>We synthesized zeolite beta nanosponge using a zeolite-structure-directing surfactant, resulting in an ultrathin framework with uniform-sized (∼4 nm) mesopores. Notably, the mesopore size was systematically increased to 12 nm by adjusting the amount of trimethylbenzene additive in the synthetic gel. Such a zeolite beta nanosponge with tailoring mesopore diameter was investigated as a support for Co catalyst in Fischer–Tropsch synthesis. Owing to the confinement effect of the mesopores, the size of the Co nanoparticles was precisely controlled to match the mesopore dimensions. Despite the same Co content, CO conversion gradually increased with larger Co particle sizes, reaching an optimal performance at a particle size of 10 nm. A similar trend was observed in the selectivity for gasoline-range hydrocarbons, attributed to the higher chain growth probability associated with larger Co particles. Meanwhile, Co supported on the zeolite beta nanosponge exhibited significantly higher selectivity for <em>iso</em>-paraffins compared to its bulk zeolite and MFI nanosponge counterparts. This enhancement was attributed to the shorter diffusion path, which allowed branched hydrocarbon intermediates to avoid excessive cracking, and the weaker acidity, which reduced the tendency for secondary cracking. Consequently, the Co-supported zeolite beta nanosponge with a 10 nm mesopore size achieved a high yield of branched hydrocarbons in gasoline range.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135279"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792098","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

High-energy-level electron injection in ZnWO4/ZnO photocatalysts for efficient methane-to-methanol conversion

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135297

Lina Dai, Xianglan Dong, Enqi Zhang, Yanduo Liu

Against the backdrop of global energy and environmental challenges, research on the photocatalytic conversion of methane to methanol has made significant progress. ZnO photocatalyst, despite its many advantages, suffers from rapid recombination of photogenerated electrons and holes in single ZnO, leading to low charge separation efficiency and thus limiting the solar energy conversion efficiency. The mixed-crystal heterostructure formed by ZnO and ZnWO₄ significantly improves photocatalytic efficiency by effectively separating and utilizing high-energy-level electrons. The conduction band of ZnWO₄ serves as an ideal “bridge” for the high-energy-level electrons generated on ZnO, enabling these electrons to quickly transfer to the conduction band of ZnWO₄, thus avoiding rapid relaxation and recombination within the conduction band of ZnO. The optimal sample achieved a methanol yield of 72 μmol/g/h, with a total carbonyl compound yield near 100 μmol/g/h, accounting for 97 % of the entire product system. This opens new avenues in the field and provides a model for the development of related composite photocatalysts, offering hope for significant breakthroughs and progress in energy conversion and utilization.

{"title":"High-energy-level electron injection in ZnWO4/ZnO photocatalysts for efficient methane-to-methanol conversion","authors":"Lina Dai, Xianglan Dong, Enqi Zhang, Yanduo Liu","doi":"10.1016/j.fuel.2025.135297","DOIUrl":"10.1016/j.fuel.2025.135297","url":null,"abstract":"<div><div>Against the backdrop of global energy and environmental challenges, research on the photocatalytic conversion of methane to methanol has made significant progress. ZnO photocatalyst, despite its many advantages, suffers from rapid recombination of photogenerated electrons and holes in single ZnO, leading to low charge separation efficiency and thus limiting the solar energy conversion efficiency. The mixed-crystal heterostructure formed by ZnO and ZnWO<sub>4</sub> significantly improves photocatalytic efficiency by effectively separating and utilizing high-energy-level electrons. The conduction band of ZnWO<sub>4</sub> serves as an ideal “bridge” for the high-energy-level electrons generated on ZnO, enabling these electrons to quickly transfer to the conduction band of ZnWO<sub>4</sub>, thus avoiding rapid relaxation and recombination within the conduction band of ZnO. The optimal sample achieved a methanol yield of 72 μmol/g/h, with a total carbonyl compound yield near 100 μmol/g/h, accounting for 97 % of the entire product system. This opens new avenues in the field and provides a model for the development of related composite photocatalysts, offering hope for significant breakthroughs and progress in energy conversion and utilization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135297"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792674","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

Constructing highly-dispersed Cu active sites at ZnFe-LDHs nanosheets for efficient hydrogenation of furfural

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135277

Jiajian Li , Huajing Zhou , Lingxiang Zhao , Rongrong Miao , Zilian Liu , Tianding Hu , Shaoyun Shan , Yanqing Shi , Liang He

Optimizing the geometry and local electronic density of the Cu active sites with high surface energy is the key to improving the catalytic furfural (FF) selective hydrogenation activity. In this paper, a ZnFe-LDHs supported low-loading (4.53 %) Cu-based catalyst (S-Cu/ZnFe) was synthesized via laminate-metal replacement strategy. The catalytic experimental results showed that the S-Cu/ZnFe exhibited excellent activity and selectivity for hydrogenating FF to furfuryl alcohol (FOL). A ∼100 % conversion of FF and >97 % of FOL yield could be achieved in only 20 min at 170 °C, and the TOF could reach 127.23 h⁻¹, which was much higher than most of the reported Cu-based catalysts. The characterization results showed that compared with the surface-loaded catalyst (L-Cu/ZnFe), the interwoven lamellar structure of Zn/Fe-O octahedra in S-Cu/ZnFe not only dispersed and stabilized the Cu nanosites, but also achieved the local valence electron transfer through Fe-O-Cu bonds (i.e., metal–oxygen bridges) and thus promoting the accumulation of highly-reactive Cu⁺ sites. In addition, the presence of oxygen vacancies with positively-charged facilitated both the _*H hopping and the FF selectively-adsorbing on S-Cu/ZnFe surface. In conclusion, the laminate-metal replacement strategy proposed in this paper enables the simple preparation of low-loading and highly-dispersed Cu-based catalysts, which provides a catalyst design basis for efficient hydrogenation of FF and similar carbonyl compounds.

{"title":"Constructing highly-dispersed Cu active sites at ZnFe-LDHs nanosheets for efficient hydrogenation of furfural","authors":"Jiajian Li , Huajing Zhou , Lingxiang Zhao , Rongrong Miao , Zilian Liu , Tianding Hu , Shaoyun Shan , Yanqing Shi , Liang He","doi":"10.1016/j.fuel.2025.135277","DOIUrl":"10.1016/j.fuel.2025.135277","url":null,"abstract":"<div><div>Optimizing the geometry and local electronic density of the Cu active sites with high surface energy is the key to improving the catalytic furfural (FF) selective hydrogenation activity. In this paper, a ZnFe-LDHs supported low-loading (4.53 %) Cu-based catalyst (S-Cu/ZnFe) was synthesized <em>via</em> laminate-metal replacement strategy. The catalytic experimental results showed that the S-Cu/ZnFe exhibited excellent activity and selectivity for hydrogenating FF to furfuryl alcohol (FOL). A ∼100 % conversion of FF and >97 % of FOL yield could be achieved in only 20 min at 170 °C, and the TOF could reach 127.23 h<sup>−1</sup>, which was much higher than most of the reported Cu-based catalysts. The characterization results showed that compared with the surface-loaded catalyst (L-Cu/ZnFe), the interwoven lamellar structure of Zn/Fe-O octahedra in S-Cu/ZnFe not only dispersed and stabilized the Cu nanosites, but also achieved the local valence electron transfer through Fe-O-Cu bonds (i.e., metal–oxygen bridges) and thus promoting the accumulation of highly-reactive Cu<sup>+</sup> sites. In addition, the presence of oxygen vacancies with positively-charged facilitated both the <sub>*</sub>H hopping and the FF selectively-adsorbing on S-Cu/ZnFe surface. In conclusion, the laminate-metal replacement strategy proposed in this paper enables the simple preparation of low-loading and highly-dispersed Cu-based catalysts, which provides a catalyst design basis for efficient hydrogenation of FF and similar carbonyl compounds.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135277"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792097","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

Rare earth metal promoters (La, Ce, Nd, Sm) on nickel-supported Al2O3 catalysts for ammonia decomposition

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135272

Mohammad Usman , Ahsan Ali , Abdesslem Jedidi , Afnan Ajeebi , Mohammad Mozahar Hossain , Khalifa M. Yau , Huda Alghamdi , Md. Abdul Aziz , M. Nasiruzzaman Shaikh

Ammonia is the 2^nd most widely produced chemical, storing 17.6 wt% of hydrogen, but the economic generation of hydrogen from it needs a more affordable solution. Hence, replacing precious metals, such as ruthenium (Ru), with inexpensive nickel (Ni) is desirable. In this study, a series of rare-earth metals (La, Ce, Nd and Sm) promoted nickel nanoparticles supported on alumina (Al₂O₃) have been investigated for ammonia decomposition. Here, 3, 5 and 10 % promoters loaded on 50 wt% Ni on Al₂O₃ have been prepared and characterized by XRD, SEM, TEM, BET, H₂-TPR and XPS. HRTEM and elemental mapping reveal a homogeneous distribution of La-promoters on the surface of Ni nanoparticles with an average size within a narrow range of 31 nm. Catalyst 5%La/Ni/Al₂O₃ demonstrates 90 % ammonia decomposition activity at 500 ℃, outperforming the 5%Ce/Ni/Al₂O₃ under the optimized gas hourly speed velocity (GHSV) of 20,400 mL/g_cat/h. respectively. The impact of promoters on 50%Ni/Al₂O₃ can be established as 5%La > 5%Ce > 5%Sm > 5%Nd catalyst. Optimizing 5%La loaded catalyst showed better catalytic activity than 10%La in terms of ammonia decomposition. The 5%La/Ni/Al₂O₃ and 5%Ce/Ni/Al₂O₃ catalysts retained their stability for an extended period of time (65 h). The experimental findings are substantiated by first-principles density functional theory (DFT) calculations, which provide insights into the catalytic reaction pathway. The results demonstrate that the incorporation of La into the Ni(111) surface significantly reduces the activation energy for NH₃ dissociation, thereby promoting enhanced catalytic efficiency for ammonia cracking.

{"title":"Rare earth metal promoters (La, Ce, Nd, Sm) on nickel-supported Al2O3 catalysts for ammonia decomposition","authors":"Mohammad Usman , Ahsan Ali , Abdesslem Jedidi , Afnan Ajeebi , Mohammad Mozahar Hossain , Khalifa M. Yau , Huda Alghamdi , Md. Abdul Aziz , M. Nasiruzzaman Shaikh","doi":"10.1016/j.fuel.2025.135272","DOIUrl":"10.1016/j.fuel.2025.135272","url":null,"abstract":"<div><div>Ammonia is the 2<sup>nd</sup> most widely produced chemical, storing 17.6 wt% of hydrogen, but the economic generation of hydrogen from it needs a more affordable solution. Hence, replacing precious metals, such as ruthenium (Ru), with inexpensive nickel (Ni) is desirable. In this study, a series of rare-earth metals (La, Ce, Nd and Sm) promoted nickel nanoparticles supported on alumina (Al<sub>2</sub>O<sub>3</sub>) have been investigated for ammonia decomposition. Here, 3, 5 and 10 % promoters loaded on 50 wt% Ni on Al<sub>2</sub>O<sub>3</sub> have been prepared and characterized by XRD, SEM, TEM, BET, H<sub>2</sub>-TPR and XPS. HRTEM and elemental mapping reveal a homogeneous distribution of La-promoters on the surface of Ni nanoparticles with an average size within a narrow range of 31 nm. Catalyst 5%La/Ni/Al<sub>2</sub>O<sub>3</sub> demonstrates 90 % ammonia decomposition activity at 500 ℃, outperforming the 5%Ce/Ni/Al<sub>2</sub>O<sub>3</sub> under the optimized gas hourly speed velocity (GHSV) of 20,400 mL/g<sub>cat</sub>/h. respectively. The impact of promoters on 50%Ni/Al<sub>2</sub>O<sub>3</sub> can be established as 5%La > 5%Ce > 5%Sm > 5%Nd catalyst. Optimizing 5%La loaded catalyst showed better catalytic activity than 10%La in terms of ammonia decomposition. The 5%La/Ni/Al<sub>2</sub>O<sub>3</sub> and 5%Ce/Ni/Al<sub>2</sub>O<sub>3</sub> catalysts retained their stability for an extended period of time (65 h). The experimental findings are substantiated by first-principles density functional theory (DFT) calculations, which provide insights into the catalytic reaction pathway. The results demonstrate that the incorporation of La into the Ni(111) surface significantly reduces the activation energy for NH<sub>3</sub> dissociation, thereby promoting enhanced catalytic efficiency for ammonia cracking.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135272"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792526","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

Machine learning for predicting methane production and optimizing parameter in anaerobic digestion process

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-04-08 DOI: 10.1016/j.fuel.2025.135206

Li Liu , Yajun Tian , Jinghao Zhao , Zongji Xia , Nana Wang , Dongmei Wang

Anaerobic digestion methane production is an important chemical means of waste recycling. Although the process route has been mature, there are still some difficultie, such as complex construction process, many variables, and difficult to find the influence law of the process parameters. Because traditional anaerobic digestion modeling is complex, the production volume can be predicted just and the influence mechanism of raw material characteristics and process parameters of the product is not clear. Accurate prediction of methane production and optimization of reaction process parameters are essential for the understanding the reaction mechanisms and optimizing the process parameters of anaerobic digestion process. Using Machine learning can skip the tedious process and select key features directly to predict methane production. In this work, First, model ADM1 as a relatively accurate anaerobic digestion prediction model, it provides data set for machine learning, addreses data quality and data quantity in anaerobic digestion process. Then,different machine learning algorithms were used to predict methane production and optimize process parameters. Finally, the most suitable machine learning algorithm for predicting the anaerobic digestion process was found. Using LightGBM and BPNN both can achieve more than 98% accuracy in predicting methane production and optimizing process parameters,. shortening the reaction time step, more accurate results can be obtained for LightGBM and BPNN. This work is a successful application of machine learning to anaerobic digestion processes. Applying AI can solve the common problems of energy production process and provide new ideas for the development of smart energy and smart engineering.

{"title":"Machine learning for predicting methane production and optimizing parameter in anaerobic digestion process","authors":"Li Liu , Yajun Tian , Jinghao Zhao , Zongji Xia , Nana Wang , Dongmei Wang","doi":"10.1016/j.fuel.2025.135206","DOIUrl":"10.1016/j.fuel.2025.135206","url":null,"abstract":"<div><div>Anaerobic digestion methane production is an important chemical means of waste recycling. Although the process route has been mature, there are still some difficultie, such as complex construction process, many variables, and difficult to find the influence law of the process parameters. Because traditional anaerobic digestion modeling is complex, the production volume can be predicted just and the influence mechanism of raw material characteristics and process parameters of the product is not clear. Accurate prediction of methane production and optimization of reaction process parameters are essential for the understanding the reaction mechanisms and optimizing the process parameters of anaerobic digestion process. Using Machine learning can skip the tedious process and select key features directly to predict methane production. In this work, First, model ADM1 as a relatively accurate anaerobic digestion prediction model, it provides data set for machine learning, addreses data quality and data quantity in anaerobic digestion process. Then,different machine learning algorithms were used to predict methane production and optimize process parameters. Finally, the most suitable machine learning algorithm for predicting the anaerobic digestion process was found. Using LightGBM and BPNN both can achieve more than 98% accuracy in predicting methane production and optimizing process parameters,. shortening the reaction time step, more accurate results can be obtained for LightGBM and BPNN. This work is a successful application of machine learning to anaerobic digestion processes. Applying AI can solve the common problems of energy production process and provide new ideas for the development of smart energy and smart engineering.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"396 ","pages":"Article 135206"},"PeriodicalIF":6.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792698","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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