Extraction oxidation desulfurization technology represents a crucial complementary approach to hydrodesulfurization with its effectiveness fundamentally dependent on the performance of the oxidation desulfurization catalyst. A dual-active-site catalyst, based on phosphotungstic acid (HPW) supported on defect-engineered UiO-66, was developed for extraction oxidative desulfurization of diesel. The defect UiO-66 support was fabricated via a grinding method, and glycine (Gly) was subsequently introduced as a molecular bridge to achieve uniform and stable immobilization of HPW within the metal–organic framework. The obtained catalyst was employed in an ODS process of model diesel (n-octane with 1000 ppmS DBT) at room temperature, where H2O2 served as the oxidant and acetonitrile as the extractant. The results revealed that the Zr active sites in UiO-66 can effectively decompose H2O2 into reactive oxygen radicals at room temperature; subsequently such oxygen radicals combine with the W active site in HPW to form highly oxidizing tungsten peroxide species. By optimization of Zr/W ratios, this synergistic effect endowed the UiO-GlyPW composite with exceptional catalytic performance, enabling complete desulfurization of a model oil containing 1000 ppm sulfur within 10 min at room temperature under the conditions of an O/S molar ratio of 5, a catalyst dosage of 3.0 wt %, and an oil-to-extractant ratio of 1.This work provides fundamental insights into the rational design of dual-active-site catalysts for efficient ODS processes under ambient conditions.
{"title":"UiO-66-Supported Phosphotungstic Acid with Dual-Active Sites for Extraction Oxidation Desulfurization of Simulated Fuel at Room Temperature","authors":"Chongfu Wu,Mengying Lin,Zhaoyang Qi,Jie Chen,Changshen Ye,Ting Qiu","doi":"10.1021/acs.iecr.5c04755","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04755","url":null,"abstract":"Extraction oxidation desulfurization technology represents a crucial complementary approach to hydrodesulfurization with its effectiveness fundamentally dependent on the performance of the oxidation desulfurization catalyst. A dual-active-site catalyst, based on phosphotungstic acid (HPW) supported on defect-engineered UiO-66, was developed for extraction oxidative desulfurization of diesel. The defect UiO-66 support was fabricated via a grinding method, and glycine (Gly) was subsequently introduced as a molecular bridge to achieve uniform and stable immobilization of HPW within the metal–organic framework. The obtained catalyst was employed in an ODS process of model diesel (n-octane with 1000 ppmS DBT) at room temperature, where H2O2 served as the oxidant and acetonitrile as the extractant. The results revealed that the Zr active sites in UiO-66 can effectively decompose H2O2 into reactive oxygen radicals at room temperature; subsequently such oxygen radicals combine with the W active site in HPW to form highly oxidizing tungsten peroxide species. By optimization of Zr/W ratios, this synergistic effect endowed the UiO-GlyPW composite with exceptional catalytic performance, enabling complete desulfurization of a model oil containing 1000 ppm sulfur within 10 min at room temperature under the conditions of an O/S molar ratio of 5, a catalyst dosage of 3.0 wt %, and an oil-to-extractant ratio of 1.This work provides fundamental insights into the rational design of dual-active-site catalysts for efficient ODS processes under ambient conditions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"7 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146152402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Coal thermal dissolution extraction is key for efficient conversion/utilization of low-rank coal, but its industrialization is limited by poor extraction product separation. However, commercial thin-film composite (TFC) polyamide membranes swell in organic solvents, compromising separation accuracy. To solve this, this study incorporated holey graphene oxide (HGO) into interfacial polymerization. HGO-modified polyamide composite membranes were prepared, and their feasibility in OSN was explored. HGO’s amphiphilicity and porous structure enhanced piperazine monomer diffusion kinetics/uniformity, improved polymerization cross-linking, and built an interpenetrating network with polyamide chains to inhibit membrane swelling in polar solvents. Experiments demonstrated that the modified membrane exhibited better structural stability in methanol and excellent small-molecule sieving in methanol systems simulating low-rank coal thermal dissolution extracts. This study fills the gap in HGO for organic OSN membranes, offers new insights for high-efficiency OSN membrane preparation, and facilitates the efficient separation of coal extraction products.
{"title":"Preparation of Holey Graphene Oxide-Modified Polyamide Composite Organic Solvent Nanofiltration Membranes","authors":"Jinhua Meng,Yue Zhang,Xinao Tian,Yan Pan,Wen-Hai Zhang,Hong Meng","doi":"10.1021/acs.iecr.5c05034","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c05034","url":null,"abstract":"Coal thermal dissolution extraction is key for efficient conversion/utilization of low-rank coal, but its industrialization is limited by poor extraction product separation. However, commercial thin-film composite (TFC) polyamide membranes swell in organic solvents, compromising separation accuracy. To solve this, this study incorporated holey graphene oxide (HGO) into interfacial polymerization. HGO-modified polyamide composite membranes were prepared, and their feasibility in OSN was explored. HGO’s amphiphilicity and porous structure enhanced piperazine monomer diffusion kinetics/uniformity, improved polymerization cross-linking, and built an interpenetrating network with polyamide chains to inhibit membrane swelling in polar solvents. Experiments demonstrated that the modified membrane exhibited better structural stability in methanol and excellent small-molecule sieving in methanol systems simulating low-rank coal thermal dissolution extracts. This study fills the gap in HGO for organic OSN membranes, offers new insights for high-efficiency OSN membrane preparation, and facilitates the efficient separation of coal extraction products.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"91 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146152403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2026-02-11DOI: 10.1016/j.ijhydene.2026.153700
Ahmet Yakın , Taha Tuna Göksu , Mehmet Gülcan
This experimental study examines the energetic and exergetic performance of hydrogen-rich methylamine-borane (MAB) fuel blends in a spark-ignition gasoline engine. To assess the efficacy of solid-state hydrogen carriers, MAB was solubilized in ethanol and mixed with gasoline at volume ratios of 5% (MAB5) and 10% (MAB10). Experiments were performed at a constant speed of 2500 rpm across different engine loads: 0%, 25%, 50%, 75%, and 100%. The findings demonstrate that MAB5 attained the highest exergy efficiency of 18.87% at full load, surpassing gasoline at 16.77% and MAB10. The observed efficiency gain results from the thermal decomposition of MAB, which releases hydrogen and enhances combustion kinetics, consequently minimizing thermodynamic irreversibilities within the system. As a result, MAB5 demonstrated the least entropy generation and exhaust exergy losses in comparison to the gasoline fuel. Increasing the additive ratio to 10% (MAB10) led to a decrease in exergetic performance, attributable to physicochemical constraints, thereby underscoring a significant tradeoff between hydrogen enrichment and fuel properties. MAB5 fuel was more efficient than others in the Sustainability Index results, which emphasize the importance of environmental impacts, with a high score of 1.23. The study presented showed that MAB fuels at low concentrations can be an effective source of hydrogen and could be practically applied in conventional spark-ignition engines to improve fuel efficiency and reduce environmental impact without requiring extensive engine modifications.
{"title":"Exergy and sustainability analysis of methylamine borane-enhanced gasoline fuel blends","authors":"Ahmet Yakın , Taha Tuna Göksu , Mehmet Gülcan","doi":"10.1016/j.ijhydene.2026.153700","DOIUrl":"10.1016/j.ijhydene.2026.153700","url":null,"abstract":"<div><div>This experimental study examines the energetic and exergetic performance of hydrogen-rich methylamine-borane (MAB) fuel blends in a spark-ignition gasoline engine. To assess the efficacy of solid-state hydrogen carriers, MAB was solubilized in ethanol and mixed with gasoline at volume ratios of 5% (MAB5) and 10% (MAB10). Experiments were performed at a constant speed of 2500 rpm across different engine loads: 0%, 25%, 50%, 75%, and 100%. The findings demonstrate that MAB5 attained the highest exergy efficiency of 18.87% at full load, surpassing gasoline at 16.77% and MAB10. The observed efficiency gain results from the thermal decomposition of MAB, which releases hydrogen and enhances combustion kinetics, consequently minimizing thermodynamic irreversibilities within the system. As a result, MAB5 demonstrated the least entropy generation and exhaust exergy losses in comparison to the gasoline fuel. Increasing the additive ratio to 10% (MAB10) led to a decrease in exergetic performance, attributable to physicochemical constraints, thereby underscoring a significant tradeoff between hydrogen enrichment and fuel properties. MAB5 fuel was more efficient than others in the Sustainability Index results, which emphasize the importance of environmental impacts, with a high score of 1.23. The study presented showed that MAB fuels at low concentrations can be an effective source of hydrogen and could be practically applied in conventional spark-ignition engines to improve fuel efficiency and reduce environmental impact without requiring extensive engine modifications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153700"},"PeriodicalIF":8.3,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2026-02-11DOI: 10.1016/j.ymssp.2026.113998
Zhuhong Wang, Hang Zhou, Hanlong Liu
Accurate measurement of three-dimensional deformation behavior is critical for understanding material mechanical properties. However, traditional Digital Volume Correlation (DVC) methods are limited by discrete sub-volume discretization, lack of physical constraints, and low computational efficiency. Data-driven approaches cannot guarantee physical plausibility and depend on large quantities of densely sampled data. This study proposes a novel physics-informed deep learning method for DVC (PiNetDVC). The method takes spatial coordinates as inputs and simultaneously predicts displacement and strain fields through continuous function representation, overcoming spatial resolution limitations and data dependency. The strain field is directly incorporated as a network output, with strain–displacement compatibility enforced by comparing network-predicted strains with strains derived from displacement gradients. A unified loss function integrates image consistency constraints with physics-informed regularization. Validation on six scenarios demonstrates superior performance over traditional ALDVC, achieving accuracy improvements of 81%, 83%, and over 95% for rigid body translation, uniaxial tension, and shear band deformation, respectively. For complex deformation patterns such as sinusoidal and non-uniform star-shaped modes, errors are maintained at the order of 10-3. Stable accuracy is maintained under 20 dB noise, with robust performance across different architectures and loss configurations. PiNetDVC provides an effective solution for 3D deformation measurement in aerospace, mechanical, and civil engineering applications.
{"title":"Physics-informed neural networks based digital volume correlation for displacement and strain measurements","authors":"Zhuhong Wang, Hang Zhou, Hanlong Liu","doi":"10.1016/j.ymssp.2026.113998","DOIUrl":"10.1016/j.ymssp.2026.113998","url":null,"abstract":"<div><div>Accurate measurement of three-dimensional deformation behavior is critical for understanding material mechanical properties. However, traditional Digital Volume Correlation (DVC) methods are limited by discrete sub-volume discretization, lack of physical constraints, and low computational efficiency. Data-driven approaches cannot guarantee physical plausibility and depend on large quantities of densely sampled data. This study proposes a novel physics-informed deep learning method for DVC (PiNetDVC). The method takes spatial coordinates as inputs and simultaneously predicts displacement and strain fields through continuous function representation, overcoming spatial resolution limitations and data dependency. The strain field is directly incorporated as a network output, with strain–displacement compatibility enforced by comparing network-predicted strains with strains derived from displacement gradients. A unified loss function integrates image consistency constraints with physics-informed regularization. Validation on six scenarios demonstrates superior performance over traditional ALDVC, achieving accuracy improvements of 81%, 83%, and over 95% for rigid body translation, uniaxial tension, and shear band deformation, respectively. For complex deformation patterns such as sinusoidal and non-uniform star-shaped modes, errors are maintained at the order of 10<sup>-3</sup>. Stable accuracy is maintained under 20 dB noise, with robust performance across different architectures and loss configurations. PiNetDVC provides an effective solution for 3D deformation measurement in aerospace, mechanical, and civil engineering applications.</div></div>","PeriodicalId":51124,"journal":{"name":"Mechanical Systems and Signal Processing","volume":"248 ","pages":"Article 113998"},"PeriodicalIF":8.9,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147128","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 : 2026-02-11DOI: 10.1016/j.fuel.2026.138639
Weili Tang , Yuantao Yang , Jinlong Wei , Junli Wang , Ruidong Xu , Nan Li , Linjing Yang
The development of transition metal catalysts with low cost and high efficiency plays a significant role in achieving the oxygen evolution reaction (OER) in alkaline electrolysis of water, thereby promoting the rapid development of hydrogen energy. Herein, this paper introduces a simple one-step hydrothermal synthesis method for preparing a Ni3S2 catalyst co-doped with W and Fe. It is notable that in the 1 M KOH solution, this electrode has a lower overpotential and faster kinetics. And it shows excellent long-term stability when working continuously for 100 h under 10 mA/cm2 conditions. The combination of experimental results and DFT calculations indicates that the synergistic effect of W and Fe optimizes the adsorption in the rate-determining step, and the energy barrier (1.92 eV) is significantly reduced. This progressive barrier reduction quantitatively confirmed the synergistic effect of Fe-W double doping in regulating the electronic structure of the catalyst, thereby accelerating the OER process. In addition, the OER performance of this catalyst is significantly better than that of other transition metal catalysts reported recently. This work not only presents a highly efficient OER catalyst but also provides a universal co-doping strategy that can be extended to other transition metal compounds for advanced energy conversion technologies.
{"title":"Effective modulation of Ni3S2 by the co-doping strategy of W and Fe enhances the activity and stability for the oxygen evolution reaction","authors":"Weili Tang , Yuantao Yang , Jinlong Wei , Junli Wang , Ruidong Xu , Nan Li , Linjing Yang","doi":"10.1016/j.fuel.2026.138639","DOIUrl":"10.1016/j.fuel.2026.138639","url":null,"abstract":"<div><div>The development of transition metal catalysts with low cost and high efficiency plays a significant role in achieving the oxygen evolution reaction (OER) in alkaline electrolysis of water, thereby promoting the rapid development of hydrogen energy. Herein, this paper introduces a simple one-step hydrothermal synthesis method for preparing a Ni<sub>3</sub>S<sub>2</sub> catalyst co-doped with W and Fe. It is notable that in the 1 M KOH solution, this electrode has a lower overpotential and faster kinetics. And it shows excellent long-term stability when working continuously for 100 h under 10 mA/cm<sup>2</sup> conditions. The combination of experimental results and DFT calculations indicates that the synergistic effect of W and Fe optimizes the adsorption in the rate-determining step, and the energy barrier (1.92 eV) is significantly reduced. This progressive barrier reduction quantitatively confirmed the synergistic effect of Fe-W double doping in regulating the electronic structure of the catalyst, thereby accelerating the OER process. In addition, the OER performance of this catalyst is significantly better than that of other transition metal catalysts reported recently. This work not only presents a highly efficient OER catalyst but also provides a universal co-doping strategy that can be extended to other transition metal compounds for advanced energy conversion technologies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"418 ","pages":"Article 138639"},"PeriodicalIF":7.5,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147451","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}
This study explores the combustion behavior of Fe/CuO thermite systems by systematically evaluating the effects of iron particle size, Fe content, porosity, and magnesium (Mg) doping. Thermite pellets were fabricated using three Fe particle size ranges (0–20 µm, 20–40 µm, and 40–80 µm) with varying Fe contents (20–70 wt%), compacted under constant pressure. Combustion performance was evaluated under a fixed single ignition condition. The addition of 2.5 wt% Mg enhanced reactivity and ensured complete and sustained combustion, particularly in compositions with coarse particles or high Fe content.
Beyond burning rate analysis, pellet porosity was measured prior to ignition, and mass changes (loss or gain) were quantified by comparing pellet mass before and after combustion. These data provided insights into the material’s conversion efficiency and the influence of ambient atmospheric oxygen on post-combustion mass variation. Combustion repeatability was verified through triplicate testing, with low standard deviations confirming experimental consistency.
The powders were characterized by using Scanning Electron Microscopy (SEM) to assess particle morphology and agglomeration, while Energy Dispersive Spectroscopy (EDS) was used to confirm elemental composition and detect potential surface oxidation or impurities. SEM/EDS observations revealed strong morphological differences between the particle size classes, directly affecting packing density and reaction uniformity.
In conclusion, combining fine Fe particles, a balanced Fe/CuO ratio, and 2.5% Mg doping produced fast, reliable, and reproducible combustion, offering promising potential for advanced thermite-based energetic applications. The resulting data set captures the complex interplay between composition, structure, and ignition behavior in Fe/CuO thermites. It serves as a robust experimental foundation for pyrotechnic laboratories and modelers working on numerical simulation, reaction front propagation, and kinetic parameter extraction in thermite systems.
{"title":"Effect of Particle Size and Magnesium Doping on Fe/CuO Pyrotechnic Composition Combustion","authors":"Nabil Mokrani , Davney Ondzié-Pandzou , Stéphane Bernard , Jean-Claude Harge , Léo Courty","doi":"10.1016/j.fuel.2026.138666","DOIUrl":"10.1016/j.fuel.2026.138666","url":null,"abstract":"<div><div>This study explores the combustion behavior of Fe/CuO thermite systems by systematically evaluating the effects of iron particle size, Fe content, porosity, and magnesium (Mg) doping. Thermite pellets were fabricated using three Fe particle size ranges (0–20 µm, 20–40 µm, and 40–80 µm) with varying Fe contents (20–70 wt%), compacted under constant pressure. Combustion performance was evaluated under a fixed single ignition condition. The addition of 2.5 wt% Mg enhanced reactivity and ensured complete and sustained combustion, particularly in compositions with coarse particles or high Fe content.</div><div>Beyond burning rate analysis, pellet porosity was measured prior to ignition, and mass changes (loss or gain) were quantified by comparing pellet mass before and after combustion. These data provided insights into the material’s conversion efficiency and the influence of ambient atmospheric oxygen on post-combustion mass variation. Combustion repeatability was verified through triplicate testing, with low standard deviations confirming experimental consistency.</div><div>The powders were characterized by using Scanning Electron Microscopy (SEM) to assess particle morphology and agglomeration, while Energy Dispersive Spectroscopy (EDS) was used to confirm elemental composition and detect potential surface oxidation or impurities. SEM/EDS observations revealed strong morphological differences between the particle size classes, directly affecting packing density and reaction uniformity.</div><div>In conclusion, combining fine Fe particles, a balanced Fe/CuO ratio, and 2.5% Mg doping produced fast, reliable, and reproducible combustion, offering promising potential for advanced thermite-based energetic applications. The resulting data set captures the complex interplay between composition, structure, and ignition behavior in Fe/CuO thermites. It serves as a robust experimental foundation for pyrotechnic laboratories and modelers working on numerical simulation, reaction front propagation, and kinetic parameter extraction in thermite systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"418 ","pages":"Article 138666"},"PeriodicalIF":7.5,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147453","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 : 2026-02-11DOI: 10.1016/j.ijhydene.2026.153945
Yuanhang Wang , Meijia Liu , Tengyu Zhang , Fangong Kong , Jiaguang Zheng
Owing to the high hydrogen storage capacity (7.6 wt%), abundant resources, and environmental friendliness, magnesium hydride (MgH2) has become one of the most widely studied solid-state hydrogen storage materials. In this study, we prepare a composite of MgH2–NaBH4, and then catalytically modify this MgH2–NaBH4 composite by using cobalt fluoride supported on biomass-derived porous carbon (CoF2@PC). The doped composite exhibits excellent hydrogen storage capacity. It desorbs 5.04 wt% H2 within 10 min at 300 °C and 5.06 wt% H2 within 2 min at 350 °C. The improvement in hydrogen absorption kinetics is reflected in the rapid absorption of 5.27 wt% H2 within 1 min at 200 °C. With a notable reduction to 92.82 kJ/mol, the dehydrogenation activation energy (Ea) is 20.6% lower than that of the pure MgH2–NaBH4 composite. Mechanistic analysis indicates that Mg2Co/Mg2CoH5 are in situ formed during the hydrogen absorption and desorption processes, acting as a “hydrogen pump” to lower the energy barrier for hydrogen atom transportation, thus accelerating both re/dehydrogenation. Furthermore, the in situ-generated MgF2 and NaF can serve as electron-transfer media, accelerating hydrogen diffusion. After hydrogen desorption, the generated MgB2 exists as a stable compound, which catalyzes subsequent Mg/MgH2 hydrogenation and dehydrogenation. Additionally, the porous carbon support promotes the high dispersion of the catalyst, thereby contributing to improved performance. This study provides new insights into improving magnesium-based composite hydrogen storage materials through the synergistic catalysis of biomass-based carbon materials and transition metal fluorides.
{"title":"Synergistic catalysis of biomass-derived porous carbon decorated with cobalt fluoride on the hydrogen storage properties of MgH2–NaBH4 composite","authors":"Yuanhang Wang , Meijia Liu , Tengyu Zhang , Fangong Kong , Jiaguang Zheng","doi":"10.1016/j.ijhydene.2026.153945","DOIUrl":"10.1016/j.ijhydene.2026.153945","url":null,"abstract":"<div><div>Owing to the high hydrogen storage capacity (7.6 wt%), abundant resources, and environmental friendliness, magnesium hydride (MgH<sub>2</sub>) has become one of the most widely studied solid-state hydrogen storage materials. In this study, we prepare a composite of MgH<sub>2</sub>–NaBH<sub>4</sub>, and then catalytically modify this MgH<sub>2</sub>–NaBH<sub>4</sub> composite by using cobalt fluoride supported on biomass-derived porous carbon (CoF<sub>2</sub>@PC). The doped composite exhibits excellent hydrogen storage capacity. It desorbs 5.04 wt% H<sub>2</sub> within 10 min at 300 °C and 5.06 wt% H<sub>2</sub> within 2 min at 350 °C. The improvement in hydrogen absorption kinetics is reflected in the rapid absorption of 5.27 wt% H<sub>2</sub> within 1 min at 200 °C. With a notable reduction to 92.82 kJ/mol, the dehydrogenation activation energy (Ea) is 20.6% lower than that of the pure MgH<sub>2</sub>–NaBH<sub>4</sub> composite. Mechanistic analysis indicates that Mg<sub>2</sub>Co/Mg<sub>2</sub>CoH<sub>5</sub> are in situ formed during the hydrogen absorption and desorption processes, acting as a “hydrogen pump” to lower the energy barrier for hydrogen atom transportation, thus accelerating both re/dehydrogenation. Furthermore, the in situ-generated MgF<sub>2</sub> and NaF can serve as electron-transfer media, accelerating hydrogen diffusion. After hydrogen desorption, the generated MgB<sub>2</sub> exists as a stable compound, which catalyzes subsequent Mg/MgH<sub>2</sub> hydrogenation and dehydrogenation. Additionally, the porous carbon support promotes the high dispersion of the catalyst, thereby contributing to improved performance. This study provides new insights into improving magnesium-based composite hydrogen storage materials through the synergistic catalysis of biomass-based carbon materials and transition metal fluorides.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"217 ","pages":"Article 153945"},"PeriodicalIF":8.3,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 : 2026-02-11DOI: 10.1016/j.fuel.2026.138736
Li Zou , Li Ma , Gaoming Wei , Shifeng Deng , Qinxin Zhao
The Ca-looping biomass chemical looping gasification (CaL-BCLG) process employs cyclic-chain reactions of CaO-based sorbents between the gasifier and the combustor to simultaneously enhance H2 production and enable CO2 capture, offering broad prospects in the clean energy sector. However, tar-induced carbon deposition on the carrier surface and pipeline blockage significantly impair the stability of CaL-BCLG for hydrogen production. Although SiO2- or coal gangue (CG, mainly consisting of SiO2 and Al2O3)-modified CCS (calcined carbide slag) sorbents previously developed by our group have shown promising CO2 capture and hydrogen production performance, their gradual deactivation under heavy-tar conditions remains unavoidable. The underlying interactions between tar and modified sorbents, however, are still poorly understood. In this work, the effect of inert oxide doping on tar cracking performance was systematically evaluated using tar reforming tests, structural characterizations, tar component analysis, and density functional theory–based molecular dynamics simulations. SiO2 or CG incorporation constructed more stable frameworks and preserved active sites, effectively suppressing sintering and carbon deposition. Thus, CCS-Si2 (doped with 2 wt% SiO2) and CCS-CG5 (doped with 5 wt% CG) exhibited higher apparent tar reforming performance than pristine CCS under the tested conditions. Basic phases (Ca2SiO4, Ca12Al14O33) provided additional active sites that promoted the cracking of acidic oxygenates and the steam reforming of carbon deposits. The ·H and ·OH radicals generated via H2O ionization were further identified as the dominant species driving tar decomposition on CaO, with ortho-position dehydrogenation serving as the rate-limiting step. Si doping enhanced the catalytic performance by modulating the electronic structure of CCS and optimizing tar adsorption; however, Si-Al interactions can partially diminish the intrinsic cracking activity of CaO sites. These insights elucidate tar–sorbent interaction mechanisms and offer design principles for high-stability CaO-based sorbents enabling efficient hydrogen production and CO2 capture in CaL-BCLG.
{"title":"Catalytic tar cracking over calcium oxide-based bifunctional materials during biomass chemical looping gasification: Experimental and DFT approaches","authors":"Li Zou , Li Ma , Gaoming Wei , Shifeng Deng , Qinxin Zhao","doi":"10.1016/j.fuel.2026.138736","DOIUrl":"10.1016/j.fuel.2026.138736","url":null,"abstract":"<div><div>The Ca-looping biomass chemical looping gasification (CaL-BCLG) process employs cyclic-chain reactions of CaO-based sorbents between the gasifier and the combustor to simultaneously enhance H<sub>2</sub> production and enable CO<sub>2</sub> capture, offering broad prospects in the clean energy sector. However, tar-induced carbon deposition on the carrier surface and pipeline blockage significantly impair the stability of CaL-BCLG for hydrogen production. Although SiO<sub>2</sub>- or coal gangue (CG, mainly consisting of SiO<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub>)-modified CCS (calcined carbide slag) sorbents previously developed by our group have shown promising CO<sub>2</sub> capture and hydrogen production performance, their gradual deactivation under heavy-tar conditions remains unavoidable. The underlying interactions between tar and modified sorbents, however, are still poorly understood. In this work, the effect of inert oxide doping on tar cracking performance was systematically evaluated using tar reforming tests, structural characterizations, tar component analysis, and density functional theory–based molecular dynamics simulations. SiO<sub>2</sub> or CG incorporation constructed more stable frameworks and preserved active sites, effectively suppressing sintering and carbon deposition. Thus, CCS-Si2 (doped with 2 wt% SiO<sub>2</sub>) and CCS-CG5 (doped with 5 wt% CG) exhibited higher apparent tar reforming performance than pristine CCS under the tested conditions. Basic phases (Ca<sub>2</sub>SiO<sub>4</sub>, Ca<sub>12</sub>Al<sub>14</sub>O<sub>33</sub>) provided additional active sites that promoted the cracking of acidic oxygenates and the steam reforming of carbon deposits. The ·H and ·OH radicals generated via H<sub>2</sub>O ionization were further identified as the dominant species driving tar decomposition on CaO, with <em>ortho</em>-position dehydrogenation serving as the rate-limiting step. Si doping enhanced the catalytic performance by modulating the electronic structure of CCS and optimizing tar adsorption; however, Si-Al interactions can partially diminish the intrinsic cracking activity of CaO sites. These insights elucidate tar–sorbent interaction mechanisms and offer design principles for high-stability CaO-based sorbents enabling efficient hydrogen production and CO<sub>2</sub> capture in CaL-BCLG.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"418 ","pages":"Article 138736"},"PeriodicalIF":7.5,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147443","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}
Solar-driven CO2 reduction into valuable chemicals/fuels is considered a promising strategy for mitigating the global energy and environmental crisis. Engineering MOF-on-MOF hybrid frameworks featuring sophisticated charge-transfer mechanisms has arisen to be a propitious policy for augmenting the photocatalytic performance of MOFs. In this work, a 0D/2D Mg/Sn-mediated porphyrin-based heterojunction hybrid was designed and synthesized. Importantly, the CO2-to-CO photoreduction efficiency for Mg/Sn-ZnTCPP MOF achieved 138.2 μmol·g–1·h–1, significantly surpassing that of the individual Mg-ZnTCPP MOF and Sn-ZnTCPP MOF. Experimental results revealed that the n–n type S-scheme heterojunction incorporated internal electric field direction with energy band bending at interfaces promotes the migration of photoexcited electrons and facilitates electron–hole separation, thus leading to superior photocatalytic activity. This study developed a facile method to construct MOF-on-MOF S-scheme heterojunction for achieving high-efficiency photocatalytic CO2 conversion.
{"title":"Construction of 0D/2D Porphyrin-Based MOF-on-MOF Heterojunctions for Efficient Photocatalytic CO2 Reduction","authors":"Juntao Zhao,Desen Zhou,Zhenxing Jin,Jiawei Ye,Jun Zhang","doi":"10.1021/acs.iecr.5c04644","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c04644","url":null,"abstract":"Solar-driven CO2 reduction into valuable chemicals/fuels is considered a promising strategy for mitigating the global energy and environmental crisis. Engineering MOF-on-MOF hybrid frameworks featuring sophisticated charge-transfer mechanisms has arisen to be a propitious policy for augmenting the photocatalytic performance of MOFs. In this work, a 0D/2D Mg/Sn-mediated porphyrin-based heterojunction hybrid was designed and synthesized. Importantly, the CO2-to-CO photoreduction efficiency for Mg/Sn-ZnTCPP MOF achieved 138.2 μmol·g–1·h–1, significantly surpassing that of the individual Mg-ZnTCPP MOF and Sn-ZnTCPP MOF. Experimental results revealed that the n–n type S-scheme heterojunction incorporated internal electric field direction with energy band bending at interfaces promotes the migration of photoexcited electrons and facilitates electron–hole separation, thus leading to superior photocatalytic activity. This study developed a facile method to construct MOF-on-MOF S-scheme heterojunction for achieving high-efficiency photocatalytic CO2 conversion.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"9 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146152404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 : 2026-02-11DOI: 10.1016/j.ymssp.2026.113979
Bohao Xu, Ling Yu, Zhenhua Nie
As one of the challenging topics in structural health monitoring, the identification of multiple moving vehicle loads remains largely unexplored owing to the large differences in load magnitudes. Even though a recent study introduced multiple regularization parameters (MRP) within a two-stage framework to distinguish the properties of different loads, its performance is highly sensitive to the initial estimates and deteriorates as the number of loads increases. To address this, the original two-stage work is extended into an alternating iterative framework (AIF), which iteratively updates the static load, dynamic load, and the variance of the dynamic loads. This extension follows the conclusion in the previous study that the regularization parameters chosen within the reasonable range of residual noise are close. Furthermore, Anderson acceleration is introduced only to the static load and the variance of dynamic load to enhance effectiveness. A safeguard strategy is incorporated to ensure the local convergence of the AIF. Finally, the proposed method is validated in both numerical simulations and laboratory experiments. The comparative cases under different response combinations, different numbers of loads and different initial estimates in the numerical simulations show that the proposed method achieves a higher accuracy, especially in comparison with the previous study. The SNR threshold required for maintaining reliable identification decreases from 25 dB to 20 dB, even when the noise variance is inaccurately estimated. Moreover, the weight of the model vehicle can be reasonably estimated by the proposed method in the validation of experiment.
{"title":"Accelerated alternating iterative identification for multiple moving vehicle loads based on Anderson acceleration with safeguard strategy","authors":"Bohao Xu, Ling Yu, Zhenhua Nie","doi":"10.1016/j.ymssp.2026.113979","DOIUrl":"10.1016/j.ymssp.2026.113979","url":null,"abstract":"<div><div>As one of the challenging topics in structural health monitoring, the identification of multiple moving vehicle loads remains largely unexplored owing to the large differences in load magnitudes. Even though a recent study introduced multiple regularization parameters (MRP) within a two-stage framework to distinguish the properties of different loads, its performance is highly sensitive to the initial estimates and deteriorates as the number of loads increases. To address this, the original two-stage work is extended into an alternating iterative framework (AIF), which iteratively updates the static load, dynamic load, and the variance of the dynamic loads. This extension follows the conclusion in the previous study that the regularization parameters chosen within the reasonable range of residual noise are close. Furthermore, Anderson acceleration is introduced only to the static load and the variance of dynamic load to enhance effectiveness. A safeguard strategy is incorporated to ensure the local convergence of the AIF. Finally, the proposed method is validated in both numerical simulations and laboratory experiments. The comparative cases under different response combinations, different numbers of loads and different initial estimates in the numerical simulations show that the proposed method achieves a higher accuracy, especially in comparison with the previous study. The SNR threshold required for maintaining reliable identification decreases from 25 dB to 20 dB, even when the noise variance is inaccurately estimated. Moreover, the weight of the model vehicle can be reasonably estimated by the proposed method in the validation of experiment.</div></div>","PeriodicalId":51124,"journal":{"name":"Mechanical Systems and Signal Processing","volume":"248 ","pages":"Article 113979"},"PeriodicalIF":8.9,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147127","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}
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