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Fast CO2 desorption in amine solution using imidazole-based Brönsted acidic ionic liquids as green and efficient catalysts

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-22 DOI: 10.1016/j.fuel.2025.135130

Xiaowen Zhang , Yi Peng , Wei Mao , Yanni Guo , Zhan Tan , Cong Xiang , Jiaorui Zhou , Sisi Lu , Minyue Hu , Keren Deng , Fangfang Zhao , Kuiyi You , He’an Luo

To encourage the industrial implementation of amine-based CO₂ capture technology, it is essential to effectively minimize the energy consumption for solvent regeneration. Herein, twelve different imidazole ionic liquids (ILs) were employed to catalytically boost CO₂ desorption in CO₂-rich monoethanolamine (MEA) solutions. These ILs involved [Mim]HSO₄, [Mim]NO₃, [Mim]H₂PO₄, [Mim]PTSA, [Emim]HSO₄, [Bmim]HSO₄, [HSO₃-Bmim]HSO₄, [Bmim]PF₆, HOOCMIMCl, AOEMIMPF₆, AOEMIMBF₄, and AOEMIMNTF₂. Most suggested IL catalysts facilitated the CO₂ desorption process, with HOOCMIMCl indicating the highest catalytic performance. In particular, HOOCMIMCl could raise the CO₂ release rate by 36.7% and cut down the relative heat duty by 38.6%. HOOCMIMCl maintained high stability after ten CO₂ absorption–desorption cycle tests. HOOCMIMCl also had no negative effect on the CO₂ absorption rate in fresh MEA solution. CO₂ absorption in MEA solutions. The primary causes of the HOOCMIMCl catalyst’s remarkable catalytic activity are its highly acidic site and low viscosity. Furthermore, based on the characterization results of FT-IR and ¹³C NMR, a prospective IL-catalyzed CO₂ desorption mechanism was presented. Because acid IL catalysts can be directly applied to existing CO₂ capture systems without necessitating equipment modification, these findings proved that they present significant opportunities for industrial CO₂ capture implementations. This work provides a workable strategy to lower the regeneration heat duty and operation cost for CO₂ capture technology in practical applications.

{"title":"Fast CO2 desorption in amine solution using imidazole-based Brönsted acidic ionic liquids as green and efficient catalysts","authors":"Xiaowen Zhang , Yi Peng , Wei Mao , Yanni Guo , Zhan Tan , Cong Xiang , Jiaorui Zhou , Sisi Lu , Minyue Hu , Keren Deng , Fangfang Zhao , Kuiyi You , He’an Luo","doi":"10.1016/j.fuel.2025.135130","DOIUrl":"10.1016/j.fuel.2025.135130","url":null,"abstract":"<div><div>To encourage the industrial implementation of amine-based CO<sub>2</sub> capture technology, it is essential to effectively minimize the energy consumption for solvent regeneration. Herein, twelve different imidazole ionic liquids (ILs) were employed to catalytically boost CO<sub>2</sub> desorption in CO<sub>2</sub>-rich monoethanolamine (MEA) solutions. These ILs involved [Mim]HSO<sub>4</sub>, [Mim]NO<sub>3</sub>, [Mim]H<sub>2</sub>PO<sub>4</sub>, [Mim]PTSA, [Emim]HSO<sub>4</sub>, [Bmim]HSO<sub>4</sub>, [HSO<sub>3</sub>-Bmim]HSO<sub>4</sub>, [Bmim]PF<sub>6</sub>, HOOCMIMCl, AOEMIMPF<sub>6</sub>, AOEMIMBF<sub>4</sub>, and AOEMIMNTF<sub>2</sub>. Most suggested IL catalysts facilitated the CO<sub>2</sub> desorption process, with HOOCMIMCl indicating the highest catalytic performance. In particular, HOOCMIMCl could raise the CO<sub>2</sub> release rate by 36.7% and cut down the relative heat duty by 38.6%. HOOCMIMCl maintained high stability after ten CO<sub>2</sub> absorption–desorption cycle tests. HOOCMIMCl also had no negative effect on the CO<sub>2</sub> absorption rate in fresh MEA solution. CO<sub>2</sub> absorption in MEA solutions. The primary causes of the HOOCMIMCl catalyst’s remarkable catalytic activity are its highly acidic site and low viscosity. Furthermore, based on the characterization results of FT-IR and <sup>13</sup>C NMR, a prospective IL-catalyzed CO<sub>2</sub> desorption mechanism was presented. Because acid IL catalysts can be directly applied to existing CO<sub>2</sub> capture systems without necessitating equipment modification, these findings proved that they present significant opportunities for industrial CO<sub>2</sub> capture implementations. This work provides a workable strategy to lower the regeneration heat duty and operation cost for CO<sub>2</sub> capture technology in practical applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135130"},"PeriodicalIF":6.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682195","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

MOF-derived NiMoS hollow sphere for efficient hydrodesulfurization: Effects of composition and morphology of active phase of NiMoS catalysts

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-21 DOI: 10.1016/j.fuel.2025.135121

Dengwei Yan , Fengyue Sun , Yanwei Ju , Haoping Di , Changle Yue , Yanfei Chen , Chongzheng Xu , Yukun Lu

The rational modulation of bimetallic intimately synergistic unsupported catalysts is the essential approach for efficient hydrodesulfurization (HDS). Herein, we have successfully produced NiMoS hollow spheres (H-NiMoS) by the Ni-MOF-engaged strategy using Ni metal–organic framework (Ni-MOF) as a precursor. The Ni-MOF serves as a landing site for vertically oriented MoS₂ nanosheets and also acts as a nickel promoter for inducing the formation of the NiMoS active phase. The H-NiMoS catalyst achieves three-dimensional self-assembly of MoS₂ nanosheets on hollow spheres, displaying a higher specific surface area (105 m²·g⁻¹) compared to pure MoS₂ (52 m²·g⁻¹). The H-NiMoS catalyst produces vertical MoS₂ with low stacking number (2–3 layers) and short slab length (2–4 nm), thus providing a large number of “rim” sites for HDS reaction. As expected, the H-NiMoS catalyst exhibits efficient HDS activity with 99.8 % conversion of dibenzothiophene (DBT) and 93.0 % conversion of 4,6-dimethyldibenzothiophene (4,6-DMDBT), as well as HDS selectivity that S_HYD/DDS(DBT) = 1.3 and S_{HYD/DDS(4,6-DMDBT)} = 3.2. Consequently, the Ni-MOF-engaged strategy of fabricating MoS₂ nanosheets with vertically oriented structures by using Ni-MOF precursors provides significant guidance for improving the activity and HYD selectivity of conventional HDS catalysts by exposing more “rim” sites.

{"title":"MOF-derived NiMoS hollow sphere for efficient hydrodesulfurization: Effects of composition and morphology of active phase of NiMoS catalysts","authors":"Dengwei Yan , Fengyue Sun , Yanwei Ju , Haoping Di , Changle Yue , Yanfei Chen , Chongzheng Xu , Yukun Lu","doi":"10.1016/j.fuel.2025.135121","DOIUrl":"10.1016/j.fuel.2025.135121","url":null,"abstract":"<div><div>The rational modulation of bimetallic intimately synergistic unsupported catalysts is the essential approach for efficient hydrodesulfurization (HDS). Herein, we have successfully produced NiMoS hollow spheres (H-NiMoS) by the Ni-MOF-engaged strategy using Ni metal–organic framework (Ni-MOF) as a precursor. The Ni-MOF serves as a landing site for vertically oriented MoS<sub>2</sub> nanosheets and also acts as a nickel promoter for inducing the formation of the NiMoS active phase. The H-NiMoS catalyst achieves three-dimensional self-assembly of MoS<sub>2</sub> nanosheets on hollow spheres, displaying a higher specific surface area (105 m<sup>2</sup>·g<sup>−1</sup>) compared to pure MoS<sub>2</sub> (52 m<sup>2</sup>·g<sup>−1</sup>). The H-NiMoS catalyst produces vertical MoS<sub>2</sub> with low stacking number (2–3 layers) and short slab length (2–4 nm), thus providing a large number of “rim” sites for HDS reaction. As expected, the H-NiMoS catalyst exhibits efficient HDS activity with 99.8 % conversion of dibenzothiophene (DBT) and 93.0 % conversion of 4,6-dimethyldibenzothiophene (4,6-DMDBT), as well as HDS selectivity that S<sub>HYD/DDS(DBT)</sub> = 1.3 and S<sub>HYD/DDS(4,6-DMDBT)</sub> = 3.2. Consequently, the Ni-MOF-engaged strategy of fabricating MoS<sub>2</sub> nanosheets with vertically oriented structures by using Ni-MOF precursors provides significant guidance for improving the activity and HYD selectivity of conventional HDS catalysts by exposing more “rim” sites.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135121"},"PeriodicalIF":6.7,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681602","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

Data-augmented deep learning for hazard assessment of hydrogen accumulation in confined spaces: Multitask prediction and sensitivity analysis

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-21 DOI: 10.1016/j.fuel.2025.135056

Wei Dong , Yuichi Sugai , Ying Shi , Theodora Noely Tambaria , Takehiro Esaki

Hydrogen’s high energy efficiency and environmental cleanliness position it as a key solution for sustainable energy systems. However, its high diffusivity and flammability pose significant safety risks in confined spaces, where leaks may lead to hazardous accumulations of gas. This study presents a comprehensive framework that integrates advanced data augmentation and multitask learning to address these challenges, bridging gaps in conventional risk assessment methods. By leveraging augmented data, which shows a 92.3 % increase in diversity, along with a multitask model, the framework achieves exceptional predictive performance, with

R^{2}

values reaching 0.999 and F1-scores exceeding 0.99. It also demonstrates resilience to noise, significantly surpassing conventional methods while reducing computational demands. Key findings highlight the critical influence of factors such as orifice dimensions, building area, and operating pressure on hydrogen accumulation risks, suggesting actionable strategies for safer hydrogen facility design and management. The proposed data-driven and interpretable framework offers a transformative approach to enhancing safety and reliability in hydrogen energy systems, tackling critical challenges in clean energy deployment.

{"title":"Data-augmented deep learning for hazard assessment of hydrogen accumulation in confined spaces: Multitask prediction and sensitivity analysis","authors":"Wei Dong , Yuichi Sugai , Ying Shi , Theodora Noely Tambaria , Takehiro Esaki","doi":"10.1016/j.fuel.2025.135056","DOIUrl":"10.1016/j.fuel.2025.135056","url":null,"abstract":"<div><div>Hydrogen’s high energy efficiency and environmental cleanliness position it as a key solution for sustainable energy systems. However, its high diffusivity and flammability pose significant safety risks in confined spaces, where leaks may lead to hazardous accumulations of gas. This study presents a comprehensive framework that integrates advanced data augmentation and multitask learning to address these challenges, bridging gaps in conventional risk assessment methods. By leveraging augmented data, which shows a 92.3 % increase in diversity, along with a multitask model, the framework achieves exceptional predictive performance, with <span><math><msup><mi>R</mi><mn>2</mn></msup></math></span> values reaching 0.999 and F1-scores exceeding 0.99. It also demonstrates resilience to noise, significantly surpassing conventional methods while reducing computational demands. Key findings highlight the critical influence of factors such as orifice dimensions, building area, and operating pressure on hydrogen accumulation risks, suggesting actionable strategies for safer hydrogen facility design and management. The proposed data-driven and interpretable framework offers a transformative approach to enhancing safety and reliability in hydrogen energy systems, tackling critical challenges in clean energy deployment.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135056"},"PeriodicalIF":6.7,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681603","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

Dielectric relaxation analysis of asphaltene polarity and aggregation behavior

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135099

Haotian Wang , Yu Zhang , Jiqian Wang , Zhaoyu Ma , Jun Gao , Longli Zhang

The associative behavior of asphaltenes significantly affects the fluidity of petroleum, which influences petroleum production, transport, and refining processes. However, the existing methods for characterizing associative behavior are complicated. Based on dielectric relaxation theory, the relationship between asphaltene polarity and its associative behavior was elucidated through experimental studies, molecular dynamics simulations. And a novel method for characterizing the association behavior was proposed. Initially, asphaltene was separated from crude oil using polar chromatography columns, and their fundamental physical properties were comprehensively analysed using X-ray diffraction, proton nuclear magnetic resonance, and infrared spectroscopy. This served as a benchmark for comprehending their polar and associative behaviour. Additionally, the runflow time of the adsorption effect of the asphaltene-toluene solution was measured by viscosity method, revealing that the association behavior began to increase within the concentration range of 1 to 3 g/L. Consequently, given that the viscosity method is time-consuming, we propose a novel characterization method based on the dielectric relaxation theory, which is characterized by an impedance analyzer. The spectroscopy showed that, as the logarithm of frequency corresponding to the ratio of dielectric loss to dielectric reserves increases from 1.3 to 2.2, the polarization rate and association behavior of asphaltene in toluene solution also increase. Notably, the concentration range determined using this method aligns with the results obtained from the viscosity method. Finally, the experimental results were theoretically confirmed through molecular dynamics simulations. In conclusion, the easily operable dielectric relaxation spectroscopy provides a viable method for characterizing the associative behavior of asphaltene-toluene solutions.

{"title":"Dielectric relaxation analysis of asphaltene polarity and aggregation behavior","authors":"Haotian Wang , Yu Zhang , Jiqian Wang , Zhaoyu Ma , Jun Gao , Longli Zhang","doi":"10.1016/j.fuel.2025.135099","DOIUrl":"10.1016/j.fuel.2025.135099","url":null,"abstract":"<div><div>The associative behavior of asphaltenes significantly affects the fluidity of petroleum, which influences petroleum production, transport, and refining processes. However, the existing methods for characterizing associative behavior are complicated. Based on dielectric relaxation theory, the relationship between asphaltene polarity and its associative behavior was elucidated through experimental studies, molecular dynamics simulations. And a novel method for characterizing the association behavior was proposed. Initially, asphaltene was separated from crude oil using polar chromatography columns, and their fundamental physical properties were comprehensively analysed using X-ray diffraction, proton nuclear magnetic resonance, and infrared spectroscopy. This served as a benchmark for comprehending their polar and associative behaviour. Additionally, the runflow time of the adsorption effect of the asphaltene-toluene solution was measured by viscosity method, revealing that the association behavior began to increase within the concentration range of 1 to 3 g/L. Consequently, given that the viscosity method is time-consuming, we propose a novel characterization method based on the dielectric relaxation theory, which is characterized by an impedance analyzer. The spectroscopy showed that, as the logarithm of frequency corresponding to the ratio of dielectric loss to dielectric reserves increases from 1.3 to 2.2, the polarization rate and association behavior of asphaltene in toluene solution also increase. Notably, the concentration range determined using this method aligns with the results obtained from the viscosity method. Finally, the experimental results were theoretically confirmed through molecular dynamics simulations. In conclusion, the easily operable dielectric relaxation spectroscopy provides a viable method for characterizing the associative behavior of asphaltene-toluene solutions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135099"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681599","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

Study on the occurrence mechanism of natural gas in sour gas reservoirs based on molecular simulation

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135107

Xiao Guo , Zuwei Chen , Pengkun Wang , Zuohao Wang , Yumeng Wang , Lan Wang , Zhi Li , Mingda Dong , Yitao Huang

Sour natural gas, as a significant part of natural gas resources, has vast reserves in China. Its development and utilization are crucial for national energy security and sustainable development. Current research on sour natural gas primarily centers on the competitive adsorption of binary components, which falls short of addressing the evolving needs of multi-component natural gas and the complexities of reservoir physical properties, especially in the study of sour gas reservoirs. This study uses equilibrium molecular dynamics (EMD) simulation to investigate the occurrence mechanisms of sour natural gas containing CO₂, H₂S, and elemental sulfur(S₈) within slit-pore models. The effects of pore width, gas composition, sulfur content and reservoir water saturation on gas occurrence mechanisms were explored. The study reveals that in the calcite slit, the overall adsorption capacity of gas components follows the order CO₂ ≈ H₂S > CH₄, and the competitive adsorption mechanism will lead to the increase of sour gases such as CO₂ and H₂S during the pressure relief mining process (When the pressure is < 20 MPa, i.e., a decrease of more than 75 %), so on-site monitoring should be strengthened. As temperature increases, CH₄ partially replaces CO₂ at adsorption sites, and adsorption first increases with pressure before decreasing, peaking at 5–10 MPa. Lowering the abandonment pressure is recommended to enhance CH₄ recovery. The variation in sour gas composition has a minimal impact on CH₄ adsorption in the pores. However, with increasing sulfur content and water saturation, sulfur clusters displace CH₄ from adsorption sites, and water molecules preferentially occupy adsorption sites, forming a water film. Regarding adsorbents, CH₄ is more easily extracted from pores > 3 nm, and for larger pores, abandonment pressure should be <10 MPa. This research holds significant implications for optimizing extraction strategies and enhancing recovery in sour gas reservoirs.

{"title":"Study on the occurrence mechanism of natural gas in sour gas reservoirs based on molecular simulation","authors":"Xiao Guo , Zuwei Chen , Pengkun Wang , Zuohao Wang , Yumeng Wang , Lan Wang , Zhi Li , Mingda Dong , Yitao Huang","doi":"10.1016/j.fuel.2025.135107","DOIUrl":"10.1016/j.fuel.2025.135107","url":null,"abstract":"<div><div>Sour natural gas, as a significant part of natural gas resources, has vast reserves in China. Its development and utilization are crucial for national energy security and sustainable development. Current research on sour natural gas primarily centers on the competitive adsorption of binary components, which falls short of addressing the evolving needs of multi-component natural gas and the complexities of reservoir physical properties, especially in the study of sour gas reservoirs. This study uses equilibrium molecular dynamics (EMD) simulation to investigate the occurrence mechanisms of sour natural gas containing CO<sub>2</sub>, H<sub>2</sub>S, and elemental sulfur(S<sub>8</sub>) within slit-pore models. The effects of pore width, gas composition, sulfur content and reservoir water saturation on gas occurrence mechanisms were explored. The study reveals that in the calcite slit, the overall adsorption capacity of gas components follows the order CO<sub>2</sub> ≈ H<sub>2</sub>S > CH<sub>4</sub>, and the competitive adsorption mechanism will lead to the increase of sour gases such as CO<sub>2</sub> and H<sub>2</sub>S during the pressure relief mining process (When the pressure is < 20 MPa, i.e., a decrease of more than 75 %), so on-site monitoring should be strengthened. As temperature increases, CH<sub>4</sub> partially replaces CO<sub>2</sub> at adsorption sites, and adsorption first increases with pressure before decreasing, peaking at 5–10 MPa. Lowering the abandonment pressure is recommended to enhance CH<sub>4</sub> recovery. The variation in sour gas composition has a minimal impact on CH<sub>4</sub> adsorption in the pores. However, with increasing sulfur content and water saturation, sulfur clusters displace CH<sub>4</sub> from adsorption sites, and water molecules preferentially occupy adsorption sites, forming a water film. Regarding adsorbents, CH<sub>4</sub> is more easily extracted from pores > 3 nm, and for larger pores, abandonment pressure should be <10 MPa. This research holds significant implications for optimizing extraction strategies and enhancing recovery in sour gas reservoirs.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135107"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681600","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

Ni nanoparticles inlaid in amorphous silicon nitride-derived nickel phyllosilicate: A highly stable and active catalyst for ammonia decomposition

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135119

Han Yang , Jing Li , Qiang Chang , Qun-chao Zhao , Meng-na Zhang , Huan-jiang Wang , Cheng-hua Zhang , Fei Wang , Xiao-dong Wen

The catalytic production of hydrogen (H₂) through the decomposition of ammonia (NH₃) using non-noble metal catalysts with small nanoparticles and high electronegativity at elevated loadings is considered a promising approach for efficient on-site H₂ production. However, excessive loading may undermine the interactions between the metal and the support, resulting in sintering and deactivation of the active components in catalysts at high temperatures. Herein, a layered nickel (Ni) phyllosilicate with varying Ni content was successfully synthesized using amorphous silicon nitride (Si₃N₄) as the silica source through a straightforward deposition–precipitation method. The characterization of Si₃N₄-derived Ni phyllosilicate indicates that it is more thermally stable than fumed SiO₂-derived Ni phyllosilicate when used as a catalyst precursor. Upon 700 °C reduction of Si₃N₄-derived Ni phyllosilicate containing 20.0 wt% Ni, small-sized (4.2 nm) and highly dispersion Ni nanoparticles were formed and embedded within the unreduced Ni Phyllosilicate matrix (NiPS-Red700). More importantly, the NiPS-Red700 is presented for efficient catalytic activity and stability for NH₃ decomposition at 700 °C with a gas hourly space velocity (GHSV) of 60,000 mL/g_cat/h, being much superior to Ni/SiO₂ catalysts prepared from the same synthesis method. The exceptional catalytic performance of NiPS-Red700 arises from the synergy of highly dispersed and electron-rich Ni nanoparticles, which facilitate the dissociation of the N–H bond and promote the combination of surface N* for N₂ associative desorption, ultimately enhancing the decomposition of NH₃.

{"title":"Ni nanoparticles inlaid in amorphous silicon nitride-derived nickel phyllosilicate: A highly stable and active catalyst for ammonia decomposition","authors":"Han Yang , Jing Li , Qiang Chang , Qun-chao Zhao , Meng-na Zhang , Huan-jiang Wang , Cheng-hua Zhang , Fei Wang , Xiao-dong Wen","doi":"10.1016/j.fuel.2025.135119","DOIUrl":"10.1016/j.fuel.2025.135119","url":null,"abstract":"<div><div>The catalytic production of hydrogen (H<sub>2</sub>) through the decomposition of ammonia (NH<sub>3</sub>) using non-noble metal catalysts with small nanoparticles and high electronegativity at elevated loadings is considered a promising approach for efficient on-site H<sub>2</sub> production. However, excessive loading may undermine the interactions between the metal and the support, resulting in sintering and deactivation of the active components in catalysts at high temperatures. Herein, a layered nickel (Ni) phyllosilicate with varying Ni content was successfully synthesized using amorphous silicon nitride (Si<sub>3</sub>N<sub>4</sub>) as the silica source through a straightforward deposition–precipitation method. The characterization of Si<sub>3</sub>N<sub>4</sub>-derived Ni phyllosilicate indicates that it is more thermally stable than fumed SiO<sub>2</sub>-derived Ni phyllosilicate when used as a catalyst precursor. Upon 700 °C reduction of Si<sub>3</sub>N<sub>4</sub>-derived Ni phyllosilicate containing 20.0 wt% Ni, small-sized (4.2 nm) and highly dispersion Ni nanoparticles were formed and embedded within the unreduced Ni Phyllosilicate matrix (NiPS-Red700). More importantly, the NiPS-Red700 is presented for efficient catalytic activity and stability for NH<sub>3</sub> decomposition at 700 °C with a gas hourly space velocity (GHSV) of 60,000 mL/g<sub>cat</sub>/h, being much superior to Ni/SiO<sub>2</sub> catalysts prepared from the same synthesis method. The exceptional catalytic performance of NiPS-Red700 arises from the synergy of highly dispersed and electron-rich Ni nanoparticles, which facilitate the dissociation of the N–H bond and promote the combination of surface N* for N<sub>2</sub> associative desorption, ultimately enhancing the decomposition of NH<sub>3</sub>.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135119"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682042","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

TiO2 layer coated MoO3 nanorod supported Ni catalyst for selective hydrogenolysis of cellulose to ketones and alcohols

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135136

Jie Wang , Quanxing Zheng , Hongliang Lu , Jianqiang Fan , Xiaohua Deng , Wenjing Song , Pengfei Ma , Weikun Lai

Selective aqueous hydrogenolysis of cellulose to valuable ketones and alcohols is attractive for biomass utilization. This work developed a TiO₂ layer coated MoO₃ nanorod supported Ni catalyst for the hydrogenolysis of cellulose to ketones and alcohols, which achieved a maximum hexacarbon keto-alcohols yield of 71.2 % with a complete cellulose conversion at 220 °C and 3 MPa H₂. The interaction of Ni and TiO₂-MoO₃ oxides provided effective channels for hydrogen transfer, thereby boosting the reduction of MoO₃ to form MoO₂ species. More Lewis acid sites were created which facilitated the isomerization of glucose and retro-aldol condensation of fructose. The cleavage of CO bonds in hydroxyl-containing intermediates thus promoted their selective hydrogenolysis to form ketones and alcohols. Particularly, NiTiO₂/MoO₃ catalyst demonstrated excellent reusability due to the protective coating of TiO₂ layer and could be widely used in selective hydrogenolysis of various oxygen containing compounds.

{"title":"TiO2 layer coated MoO3 nanorod supported Ni catalyst for selective hydrogenolysis of cellulose to ketones and alcohols","authors":"Jie Wang , Quanxing Zheng , Hongliang Lu , Jianqiang Fan , Xiaohua Deng , Wenjing Song , Pengfei Ma , Weikun Lai","doi":"10.1016/j.fuel.2025.135136","DOIUrl":"10.1016/j.fuel.2025.135136","url":null,"abstract":"<div><div>Selective aqueous hydrogenolysis of cellulose to valuable ketones and alcohols is attractive for biomass utilization. This work developed a TiO<sub>2</sub> layer coated MoO<sub>3</sub> nanorod supported Ni catalyst for the hydrogenolysis of cellulose to ketones and alcohols, which achieved a maximum hexacarbon keto-alcohols yield of 71.2 % with a complete cellulose conversion at 220 °C and 3 MPa H<sub>2</sub>. The interaction of Ni and TiO<sub>2</sub>-MoO<sub>3</sub> oxides provided effective channels for hydrogen transfer, thereby boosting the reduction of MoO<sub>3</sub> to form MoO<sub>2</sub> species. More Lewis acid sites were created which facilitated the isomerization of glucose and <em>retro</em>-aldol condensation of fructose. The cleavage of C<img>O bonds in hydroxyl-containing intermediates thus promoted their selective hydrogenolysis to form ketones and alcohols. Particularly, Ni<img>TiO<sub>2</sub>/MoO<sub>3</sub> catalyst demonstrated excellent reusability due to the protective coating of TiO<sub>2</sub> layer and could be widely used in selective hydrogenolysis of various oxygen containing compounds.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135136"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682186","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

Structure of high-molecular components and their influence on the properties of oils from Syrian fields

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135053

G. Mansour , Lyudmila V. Ivanova , Veronika.K. Miller , Vladimir N. Koshelev , Younes Djouadi , Mohamed-Said Chemam , Mohammed A. Khelkhal , Aleksandr A. Rodionov , Alexey V. Vakhin

This study investigated the physico-chemical properties and component composition of four crude oils from Syrian oilfields. High-performance liquid chromatography (HPLC), gas–liquid chromatography (GLC), Fourier transform infrared (FTIR) spectroscopy, ¹³C and ¹H nuclear magnetic resonance (NMR) spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, and matrix-assisted laser desorption/ionization (MALDI) mass spectrometry was used to identify structural-group composition of oils and molecular characteristics of extracted asphaltenes and resins. Results demonstrated an increase in aromaticity coefficient and a decrease in aliphaticity coefficient in the sequence: oil → resins → asphaltenes. Bituminous oil, containing the highest total content of resins and asphaltenes (>25.0 %) and predominant bicyclic aromatic structures (17.7 %), demonstrated a high tendency for structure formation and low aggregative stability, primarily due to asphaltene precipitation. Rheological studies revealed significant viscosity increases at +10 °C in oil with high resin asphaltene content due to asphaltene aggregation. At −10 °C, structure formation occurred through solid paraffin crystallization, with paraffinic oil showing the highest energy of oil dispersed system structure destruction (ODS). The study demonstrates the influence of high-molecular oil compounds’ structural-group composition on structure formation in the oil system.

{"title":"Structure of high-molecular components and their influence on the properties of oils from Syrian fields","authors":"G. Mansour , Lyudmila V. Ivanova , Veronika.K. Miller , Vladimir N. Koshelev , Younes Djouadi , Mohamed-Said Chemam , Mohammed A. Khelkhal , Aleksandr A. Rodionov , Alexey V. Vakhin","doi":"10.1016/j.fuel.2025.135053","DOIUrl":"10.1016/j.fuel.2025.135053","url":null,"abstract":"<div><div>This study investigated the physico-chemical properties and component composition of four crude oils from Syrian oilfields. High-performance liquid chromatography (HPLC), gas–liquid chromatography (GLC), Fourier transform infrared (FTIR) spectroscopy, <sup>13</sup>C and <sup>1</sup>H nuclear magnetic resonance (NMR) spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, and matrix-assisted laser desorption/ionization (MALDI) mass spectrometry was used to identify structural-group composition of oils and molecular characteristics of extracted asphaltenes and resins. Results demonstrated an increase in aromaticity coefficient and a decrease in aliphaticity coefficient in the sequence: oil → resins → asphaltenes. Bituminous oil, containing the highest total content of resins and asphaltenes (>25.0 %) and predominant bicyclic aromatic structures (17.7 %), demonstrated a high tendency for structure formation and low aggregative stability, primarily due to asphaltene precipitation. Rheological studies revealed significant viscosity increases at +10 °C in oil with high resin asphaltene content due to asphaltene aggregation. At −10 °C, structure formation occurred through solid paraffin crystallization, with paraffinic oil showing the highest energy of oil dispersed system structure destruction (ODS). The study demonstrates the influence of high-molecular oil compounds’ structural-group composition on structure formation in the oil system.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135053"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681597","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

Utilization of coal tar residue as a binder for coal slime in the preparation of high-strength formed char: The functional mechanism during the carbonization process

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.134883

Fei Wang , Lei Ren , Xiaoke Li , Nan Tian , Kai Zhang , Fengling Yang , Huirong Zhang

For the purpose of efficiently recycling two types of carbon-containing solid wastes, namely coal slime (CS) and coal tar residue (CTR), high-strength formed char was prepared through cold pressing and carbonization methods, and interaction during carbonization process of CS and CTR was investigated. Results demonstrated that higher temperature led to lower calorific value of formed char, with lowest calorific value achieved when CTR addition amount was 10 %. As CTR addition amount increased, strength of formed char was significantly enhanced, indicating that CTR addition amount and carbonization temperature are main factors influencing strength and calorific value of formed char. Further research revealed that due to volatile content of CTR being higher than that of CS, when CTR addition amount ranged from 0 to 10 %, CTR would promote release of volatile components, resulting in decrease in calorific value, C and H contents. As CTR addition amount increased from 10 % to 20 %, generated heavy oil would deposit acicular crystals and flocculent gels in cracks, strengthening internal crack structure of formed char and enhancing its strength. A large amount of heavy oil condensed in cracks, blocking cracks, suppressing decomposition of unsaturated hydrocarbons, and increasing calorific value of formed char. In conclusion, when CTR addition amount and temperature were 20 % and 600 °C respectively, formed char exhibited maximum calorific value and strength.

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引用次数: 0

Recognition of MILD combustion regimes of hydrogen oxy-combustion diluted with steam

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2025-03-20 DOI: 10.1016/j.fuel.2025.135050

Jakub Tumidajski, Wojciech Adamczyk, Agnieszka Ciesielska, Sławomir Sładek, Andrzej Szlęk, Adam Klimanek

The aim of this study is to explore and define the boundaries of MILD (Moderate or Intense Low-oxygen Dilution) combustion regimes in hydrogen–oxygen–steam systems, advancing the understanding of this efficient, low-emission combustion process. To achieve this, three methodologies were employed: a simplified energy balance, equilibrium modeling, and the Perfectly Stirred Reactor (PSR) model, with the latter providing detailed insights into ignition and extinction behaviors. Validation of the computational approach was conducted through code-to-code comparisons between Cantera and Chemkin environments, ensuring the reliability of results and showing the discrepancies between steady state and transient based calculations. Additionally, various reaction mechanisms were analyzed, highlighting the importance of detailed mechanisms over simplified one-step models for accurate predictions. Combustion maps were created to delineate regime transitions under varying parameters, including pressure, equivalence ratio, and heat loss. These maps provide practical guidance for optimizing MILD combustion systems in applications such as gas turbines and steam generators, supporting the development of sustainable energy technologies.

{"title":"Recognition of MILD combustion regimes of hydrogen oxy-combustion diluted with steam","authors":"Jakub Tumidajski, Wojciech Adamczyk, Agnieszka Ciesielska, Sławomir Sładek, Andrzej Szlęk, Adam Klimanek","doi":"10.1016/j.fuel.2025.135050","DOIUrl":"10.1016/j.fuel.2025.135050","url":null,"abstract":"<div><div>The aim of this study is to explore and define the boundaries of MILD (Moderate or Intense Low-oxygen Dilution) combustion regimes in hydrogen–oxygen–steam systems, advancing the understanding of this efficient, low-emission combustion process. To achieve this, three methodologies were employed: a simplified energy balance, equilibrium modeling, and the Perfectly Stirred Reactor (PSR) model, with the latter providing detailed insights into ignition and extinction behaviors. Validation of the computational approach was conducted through code-to-code comparisons between Cantera and Chemkin environments, ensuring the reliability of results and showing the discrepancies between steady state and transient based calculations. Additionally, various reaction mechanisms were analyzed, highlighting the importance of detailed mechanisms over simplified one-step models for accurate predictions. Combustion maps were created to delineate regime transitions under varying parameters, including pressure, equivalence ratio, and heat loss. These maps provide practical guidance for optimizing MILD combustion systems in applications such as gas turbines and steam generators, supporting the development of sustainable energy technologies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135050"},"PeriodicalIF":6.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682192","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