Pub Date : 2026-03-11Epub Date: 2026-02-09DOI: 10.1016/j.ijhydene.2026.153915
Yuanzhong Gao , Jian You , Miao Zhang , Congxiang Li , Wei Wang , Mengke Jia , Yongzhao Li , Yu Zhang , Yingzhen Zhang , Yuekun Lai , Huaiyin Chen , Longmin Liu , Meihua Wu , Weilong Cai
The development of high-performance, durable composite membranes is a critical challenge for advancing green hydrogen production via alkaline water electrolysis (AWE). However, current research predominantly focuses on modifying inorganic materials, while the influence of supporting structures on the structure-performance relationship of composite membranes remains substantially underexplored. Herein, we propose an engineering design strategy for regulating membrane structures through support structures. Simulations and experimental results of water flow within the support structure indicate that the phase inversion rate can be effectively regulated through fibers featuring anisotropic orientation and pore size. The obtained non-woven fabric (NWF) membrane exhibits a gradient-oriented pore structure with a dense skin layer, finger-shaped pore layer, dense support layer, and sponge-shaped pore layer. It exhibits low area resistance (∼0.139 Ω cm2) and high bubble point pressure (BPP) of 6.81 bar. Additionally, the NWF membrane exhibits excellent stability for over 1000 h. Besides, the purity of H2 and O2 achieves 99.985% and 99.916% at 2.4 V, respectively. This study provides a reference value for preparing high-performance composite membranes with balanced ion transport and gas barrier capacity.
{"title":"An engineering strategy through support structures to tailor composite membranes with high-performance for alkaline water electrolysis","authors":"Yuanzhong Gao , Jian You , Miao Zhang , Congxiang Li , Wei Wang , Mengke Jia , Yongzhao Li , Yu Zhang , Yingzhen Zhang , Yuekun Lai , Huaiyin Chen , Longmin Liu , Meihua Wu , Weilong Cai","doi":"10.1016/j.ijhydene.2026.153915","DOIUrl":"10.1016/j.ijhydene.2026.153915","url":null,"abstract":"<div><div>The development of high-performance, durable composite membranes is a critical challenge for advancing green hydrogen production via alkaline water electrolysis (AWE). However, current research predominantly focuses on modifying inorganic materials, while the influence of supporting structures on the structure-performance relationship of composite membranes remains substantially underexplored. Herein, we propose an engineering design strategy for regulating membrane structures through support structures. Simulations and experimental results of water flow within the support structure indicate that the phase inversion rate can be effectively regulated through fibers featuring anisotropic orientation and pore size. The obtained non-woven fabric (NWF) membrane exhibits a gradient-oriented pore structure with a dense skin layer, finger-shaped pore layer, dense support layer, and sponge-shaped pore layer. It exhibits low area resistance (∼0.139 Ω cm<sup>2</sup>) and high bubble point pressure (BPP) of 6.81 bar. Additionally, the NWF membrane exhibits excellent stability for over 1000 h. Besides, the purity of H<sub>2</sub> and O<sub>2</sub> achieves 99.985% and 99.916% at 2.4 V, respectively. This study provides a reference value for preparing high-performance composite membranes with balanced ion transport and gas barrier capacity.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153915"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172927","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 : 2026-03-11Epub Date: 2026-02-17DOI: 10.1016/j.ijhydene.2026.153857
Shukur N. Nasirov , Shikar G. Mamedov , Sanan R. Neymetov
<div><div><strong>Catalytic Reforming of Hydrocarbon Feedstocks for Hydrogen (H<sub>2</sub>) Production: Thermophysical Optimization Using n-Heptane as a Model Compound.</strong> The global transition toward sustainable energy systems places hydrogen (H<sub>2</sub>) at the forefront of scientific and technological innovation. As a clean fuel with high energy density and zero carbon emissions at the point of use, hydrogen (H<sub>2</sub>) is a key enabler in decarbonizing power generation, transportation, and industrial processes. However, the realization of a hydrogen (H<sub>2</sub>)-based economy requires scalable, efficient, and regionally adaptable production methods that minimize environmental impact and integrate seamlessly into existing infrastructure. This study presents a comprehensive theoretical and experimental analysis of hydrogen (H<sub>2</sub>) production via catalytic reforming of hydrocarbon feedstocks, with a focus on n-heptane as a model compound. The research addresses critical challenges in H<sub>2</sub> generation, including reaction kinetics, heat and mass transfer, catalyst stability, and measurement accuracy under high-temperature and supercritical conditions that promote effective H<sub>2</sub> release. The selection of n-heptane is based on its well-characterized thermophysical properties and its representativeness of heavier petroleum fractions, ensuring experimental reproducibility and applicability to real-world feedstocks for H<sub>2</sub> production. Catalytic reforming of n-heptane initiates dehydrogenation reactions, leading to hydrogen (H<sub>2</sub>) release according to the scheme:</div><div><strong>C<sub>7</sub>H<sub>16</sub> → C<sub>7</sub>H<sub>14</sub> + H<sub>2</sub></strong></div><div>The objective of this research is to validate the feasibility of producing hydrogen (H<sub>2</sub>) through thermocatalytic reforming of n-heptane using a custom-designed experimental setup that simulates industrial conditions. The system enables precise control of temperature, pressure, flow rate, and catalyst composition, allowing systematic exploration of reaction regimes and their impact on H<sub>2</sub> yield and selectivity. Special attention is given to supercritical conditions, which enhance convective heat transfer, accelerate reaction kinetics, and improve energy efficiency, positioning catalytic reforming as a promising alternative to conventional hydrogen (H<sub>2</sub>) production methods such as steam methane reforming (CH<sub>4</sub> + H<sub>2</sub>O → CO + 3H<sub>2</sub>), water electrolysis (2H<sub>2</sub>O → 2H<sub>2</sub> + O<sub>2</sub>), and biomass gasification. Experiments were conducted in vertical, horizontal, and inclined pipe configurations to investigate the influence of geometry on thermal gradients, fluid dynamics, and catalyst performance in H<sub>2</sub> evolution. The integration of high-precision thermocouples, pressure sensors, flow meters, and electronic potentiometers enabled real-time dat
{"title":"Catalytic reforming in the process of hydrogen hydrocarbons, such as n-heptan, using catalysts and high temperatures","authors":"Shukur N. Nasirov , Shikar G. Mamedov , Sanan R. Neymetov","doi":"10.1016/j.ijhydene.2026.153857","DOIUrl":"10.1016/j.ijhydene.2026.153857","url":null,"abstract":"<div><div><strong>Catalytic Reforming of Hydrocarbon Feedstocks for Hydrogen (H<sub>2</sub>) Production: Thermophysical Optimization Using n-Heptane as a Model Compound.</strong> The global transition toward sustainable energy systems places hydrogen (H<sub>2</sub>) at the forefront of scientific and technological innovation. As a clean fuel with high energy density and zero carbon emissions at the point of use, hydrogen (H<sub>2</sub>) is a key enabler in decarbonizing power generation, transportation, and industrial processes. However, the realization of a hydrogen (H<sub>2</sub>)-based economy requires scalable, efficient, and regionally adaptable production methods that minimize environmental impact and integrate seamlessly into existing infrastructure. This study presents a comprehensive theoretical and experimental analysis of hydrogen (H<sub>2</sub>) production via catalytic reforming of hydrocarbon feedstocks, with a focus on n-heptane as a model compound. The research addresses critical challenges in H<sub>2</sub> generation, including reaction kinetics, heat and mass transfer, catalyst stability, and measurement accuracy under high-temperature and supercritical conditions that promote effective H<sub>2</sub> release. The selection of n-heptane is based on its well-characterized thermophysical properties and its representativeness of heavier petroleum fractions, ensuring experimental reproducibility and applicability to real-world feedstocks for H<sub>2</sub> production. Catalytic reforming of n-heptane initiates dehydrogenation reactions, leading to hydrogen (H<sub>2</sub>) release according to the scheme:</div><div><strong>C<sub>7</sub>H<sub>16</sub> → C<sub>7</sub>H<sub>14</sub> + H<sub>2</sub></strong></div><div>The objective of this research is to validate the feasibility of producing hydrogen (H<sub>2</sub>) through thermocatalytic reforming of n-heptane using a custom-designed experimental setup that simulates industrial conditions. The system enables precise control of temperature, pressure, flow rate, and catalyst composition, allowing systematic exploration of reaction regimes and their impact on H<sub>2</sub> yield and selectivity. Special attention is given to supercritical conditions, which enhance convective heat transfer, accelerate reaction kinetics, and improve energy efficiency, positioning catalytic reforming as a promising alternative to conventional hydrogen (H<sub>2</sub>) production methods such as steam methane reforming (CH<sub>4</sub> + H<sub>2</sub>O → CO + 3H<sub>2</sub>), water electrolysis (2H<sub>2</sub>O → 2H<sub>2</sub> + O<sub>2</sub>), and biomass gasification. Experiments were conducted in vertical, horizontal, and inclined pipe configurations to investigate the influence of geometry on thermal gradients, fluid dynamics, and catalyst performance in H<sub>2</sub> evolution. The integration of high-precision thermocouples, pressure sensors, flow meters, and electronic potentiometers enabled real-time dat","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153857"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147424303","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 : 2026-03-11Epub Date: 2026-02-10DOI: 10.1016/j.ijhydene.2026.153646
Sandhya S. Gadge , Muthupandian Ashokkumar , Ratna Chauhan , Suresh W. Gosavi
Cobalt oxide–zinc oxide (p-Co3O4/n-ZnO) nanocomposites with varied molar ratios were successfully synthesized via a facile hydrothermal method and systematically investigated for photocatalytic applications. Comprehensive structural, optical, and surface characterizations using XRD, UV–Vis, Raman, FTIR, FESEM, EDAX, XPS, UPS, BET, and HR-TEM confirmed the formation of well-defined heterojunctions comprising cubic Co3O4 and hexagonal ZnO phases. Incorporation of Co3O4 induced a pronounced red shift in absorption and band-gap narrowing, rendering the composites highly responsive to visible light. Ultraviolet photoelectron spectroscopy revealed a high work function of 5.90 eV, indicating strong surface electron binding and promoting effective charge separation. Raman spectroscopy validated the interfacial coupling, while HR-TEM provided direct evidence of coherent lattice fringes between ZnO and Co3O4, highlighting the robust construction of the heterojunction. FESEM images displayed uniform nanoscale assemblies (<30 nm), and the increased surface area further enhanced photocatalytic activity. Photoluminescence spectroscopy confirmed suppressed recombination of photogenerated charge carriers. Mechanistic studies revealed that the heterojunction operates via a Type-II scheme, effectively preserving highly reducing electrons in the ZnO conduction band and strongly oxidizing holes in the Co3O4 valence band, which underpins the enhanced photocatalytic hydrogen evolution and dye degradation. As a result, the optimized composite achieved remarkable photocatalytic efficiency, degrading 91% of orange-red dye within 10 min and exhibiting a 3.2- and 2.4-fold enhancement compared to pristine Co3O4 and ZnO, respectively. Moreover, the nanocomposite demonstrated a high hydrogen generation rate of about 2643 μmol h−1g−1 under direct sunlight, governed by pseudo-first-order kinetics. These findings highlight the synergistic role of band-gap tuning, high work function, and interfacial heterojunction engineering, positioning p-Co3O4/n-ZnO nanocomposites as promising candidates for sustainable energy and environmental remediation technologies.
{"title":"Type-II engineered p-Co3O4/n-ZnO heterojunctions: Mechanistic insights into high-efficiency solar-driven hydrogen evolution and dye degradation","authors":"Sandhya S. Gadge , Muthupandian Ashokkumar , Ratna Chauhan , Suresh W. Gosavi","doi":"10.1016/j.ijhydene.2026.153646","DOIUrl":"10.1016/j.ijhydene.2026.153646","url":null,"abstract":"<div><div>Cobalt oxide–zinc oxide (p-Co<sub>3</sub>O<sub>4</sub>/n-ZnO) nanocomposites with varied molar ratios were successfully synthesized via a facile hydrothermal method and systematically investigated for photocatalytic applications. Comprehensive structural, optical, and surface characterizations using XRD, UV–Vis, Raman, FTIR, FESEM, EDAX, XPS, UPS, BET, and HR-TEM confirmed the formation of well-defined heterojunctions comprising cubic Co<sub>3</sub>O<sub>4</sub> and hexagonal ZnO phases. Incorporation of Co<sub>3</sub>O<sub>4</sub> induced a pronounced red shift in absorption and band-gap narrowing, rendering the composites highly responsive to visible light. Ultraviolet photoelectron spectroscopy revealed a high work function of 5.90 eV, indicating strong surface electron binding and promoting effective charge separation. Raman spectroscopy validated the interfacial coupling, while HR-TEM provided direct evidence of coherent lattice fringes between ZnO and Co<sub>3</sub>O<sub>4</sub>, highlighting the robust construction of the heterojunction. FESEM images displayed uniform nanoscale assemblies (<30 nm), and the increased surface area further enhanced photocatalytic activity. Photoluminescence spectroscopy confirmed suppressed recombination of photogenerated charge carriers. Mechanistic studies revealed that the heterojunction operates via a Type-II scheme, effectively preserving highly reducing electrons in the ZnO conduction band and strongly oxidizing holes in the Co<sub>3</sub>O<sub>4</sub> valence band, which underpins the enhanced photocatalytic hydrogen evolution and dye degradation. As a result, the optimized composite achieved remarkable photocatalytic efficiency, degrading 91% of orange-red dye within 10 min and exhibiting a 3.2- and 2.4-fold enhancement compared to pristine Co<sub>3</sub>O<sub>4</sub> and ZnO, respectively. Moreover, the nanocomposite demonstrated a high hydrogen generation rate of about 2643 μmol h<sup>−1</sup>g<sup>−1</sup> under direct sunlight, governed by pseudo-first-order kinetics. These findings highlight the synergistic role of band-gap tuning, high work function, and interfacial heterojunction engineering, positioning p-Co<sub>3</sub>O<sub>4</sub>/n-ZnO nanocomposites as promising candidates for sustainable energy and environmental remediation technologies.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153646"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172794","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 : 2026-03-11Epub Date: 2026-02-11DOI: 10.1016/j.ijhydene.2026.153944
Zengkun You, Tian Tang, Kai Ou, Yuxiang Ni, Yudong Xia, Hongyan Wang
The escalating global energy crisis has intensified research efforts toward developing heterogeneous structures capable of addressing the sluggish kinetics of the hydrogen evolution reaction and oxygen evolution reaction in electrocatalysis. In this study, a novel strategy for the design of highly efficient bifunctional electrocatalysts was proposed. Uniform Ni nanolayers were successfully deposited on Nb2CTx/CNT hybrid supports through a combination of CVD and magnetron sputtering techniques. The resulting Ni/Nb2CTx/CNT@NF catalyst demonstrated exceptional electrocatalytic performance in 1 M KOH. For HER, it achieved remarkably low overpotentials of 41 mV@10 mA cm−2 and 196 mV@100 mA cm−2. Similarly, for OER, the catalyst exhibited outstanding activity with overpotentials of 299 mV@20 mA cm−2 and 337 mV@50 mA cm−2. Furthermore, the catalyst maintained stable performance at 20 mA cm−2 for 48 h without significant degradation, highlighting its excellent long-term stability. The superior catalytic performance can be attributed to several key factors: (1) The uniform distribution of Ni nanolayers enhances intrinsic conductivity and increases the density of active sites; (2) The incorporation of CNTs expands the reaction interface, facilitating charge and mass transfer; and (3) The electronic interaction between Nb2CTx and Ni further optimizes the catalytic kinetics.
不断升级的全球能源危机已经加强了对开发能够解决电催化中析氢反应和析氧反应缓慢动力学的非均相结构的研究。本研究提出了一种设计高效双功能电催化剂的新策略。采用气相沉积和磁控溅射相结合的方法，成功地在Nb2CTx/CNT杂化支架上沉积了均匀的Ni纳米层。所得的Ni/Nb2CTx/CNT@NF催化剂在1 M KOH条件下表现出优异的电催化性能。对于HER，它获得了非常低的过电位，分别为41 mV@10 mA cm - 2和196 mV@100 mA cm - 2。同样，对于OER，催化剂表现出出色的活性，过电位为299 mV@20 mA cm−2和337 mV@50 mA cm−2。此外，催化剂在20 mA cm−2下保持48 h的稳定性能，没有明显的降解，突出了其良好的长期稳定性。优异的催化性能可归因于以下几个关键因素：(1)Ni纳米层的均匀分布增强了本构电导率，增加了活性位点的密度；(2) CNTs的加入扩大了反应界面，有利于电荷和传质；(3) Nb2CTx与Ni之间的电子相互作用进一步优化了催化动力学。
{"title":"Ni nanolayers deposited on Nb2CTx/CNT synergistically enhance alkaline bifunctional HER/OER catalytic activity","authors":"Zengkun You, Tian Tang, Kai Ou, Yuxiang Ni, Yudong Xia, Hongyan Wang","doi":"10.1016/j.ijhydene.2026.153944","DOIUrl":"10.1016/j.ijhydene.2026.153944","url":null,"abstract":"<div><div>The escalating global energy crisis has intensified research efforts toward developing heterogeneous structures capable of addressing the sluggish kinetics of the hydrogen evolution reaction and oxygen evolution reaction in electrocatalysis. In this study, a novel strategy for the design of highly efficient bifunctional electrocatalysts was proposed. Uniform Ni nanolayers were successfully deposited on Nb<sub>2</sub>CT<sub>x</sub>/CNT hybrid supports through a combination of CVD and magnetron sputtering techniques. The resulting Ni/Nb<sub>2</sub>CT<sub>x</sub>/CNT@NF catalyst demonstrated exceptional electrocatalytic performance in 1 M KOH. For HER, it achieved remarkably low overpotentials of 41 mV@10 mA cm<sup>−2</sup> and 196 mV@100 mA cm<sup>−2</sup>. Similarly, for OER, the catalyst exhibited outstanding activity with overpotentials of 299 mV@20 mA cm<sup>−2</sup> and 337 mV@50 mA cm<sup>−2</sup>. Furthermore, the catalyst maintained stable performance at 20 mA cm<sup>−2</sup> for 48 h without significant degradation, highlighting its excellent long-term stability. The superior catalytic performance can be attributed to several key factors: (1) The uniform distribution of Ni nanolayers enhances intrinsic conductivity and increases the density of active sites; (2) The incorporation of CNTs expands the reaction interface, facilitating charge and mass transfer; and (3) The electronic interaction between Nb<sub>2</sub>CT<sub>x</sub> and Ni further optimizes the catalytic kinetics.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153944"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172798","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 : 2026-03-11Epub Date: 2026-02-10DOI: 10.1016/j.ijhydene.2026.153913
Yuyu Wang , Yutong Chen , Yong Pan , Xin Zhang
Hydrogen-doped methane (CH4/H2) represents a promising clean fuel; however, it presents notable safety hazards owing to the broad flammability range and low ignition energy of H2. Effective combustion inhibition is crucial for safe utilization. Herein, reactive force field molecular dynamics (ReaxFF MD) simulations are used to elucidate the atomic-scale inhibition mechanism of perfluoro-2-methyl-3-pentanone (C6F12O) on its combustion. It is found that with the addition of C6F12O from 0% to 13%, the apparent activation energy is increased from 162.65 to 172.92 kJ/mol, and the heat release is reduced. Approximately 37.8% of C6F12O decomposes into ·C3F7 and C2F5ĊO, further generating ·F and ·CF3, which effectively scavenge the critical ·H and ·OH to form stable HF and CF2O. The inhibition effect exhibits a clear temperature dependence, with the optimal concentration identified as 7% at 2400 K. These findings provide novel molecular-level insights into the radical-interrupting mechanism of C6F12O for safer H2-enriched fuel systems.
{"title":"Molecular insights into combustion inhibition of hydrogen-doped methane by perfluoro-2-methyl-3-pentanone","authors":"Yuyu Wang , Yutong Chen , Yong Pan , Xin Zhang","doi":"10.1016/j.ijhydene.2026.153913","DOIUrl":"10.1016/j.ijhydene.2026.153913","url":null,"abstract":"<div><div>Hydrogen-doped methane (CH<sub>4</sub>/H<sub>2</sub>) represents a promising clean fuel; however, it presents notable safety hazards owing to the broad flammability range and low ignition energy of H<sub>2</sub>. Effective combustion inhibition is crucial for safe utilization. Herein, reactive force field molecular dynamics (ReaxFF MD) simulations are used to elucidate the atomic-scale inhibition mechanism of perfluoro-2-methyl-3-pentanone (C<sub>6</sub>F<sub>12</sub>O) on its combustion. It is found that with the addition of C<sub>6</sub>F<sub>12</sub>O from 0% to 13%, the apparent activation energy is increased from 162.65 to 172.92 kJ/mol, and the heat release is reduced. Approximately 37.8% of C<sub>6</sub>F<sub>12</sub>O decomposes into ·C<sub>3</sub>F<sub>7</sub> and C<sub>2</sub>F<sub>5</sub>ĊO, further generating ·F and ·CF<sub>3</sub>, which effectively scavenge the critical ·H and ·OH to form stable HF and CF<sub>2</sub>O. The inhibition effect exhibits a clear temperature dependence, with the optimal concentration identified as 7% at 2400 K. These findings provide novel molecular-level insights into the radical-interrupting mechanism of C<sub>6</sub>F<sub>12</sub>O for safer H<sub>2</sub>-enriched fuel systems.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153913"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172849","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 : 2026-03-11Epub Date: 2026-02-10DOI: 10.1016/j.ijhydene.2026.153939
Delina Sangsefidi, Parisa Mojaver
This study presents a biomass-driven hybrid energy system designed to enhance efficiency while reducing environmental impacts through a comprehensive thermodynamic, economic, and environmental assessment framework. The proposed system integrates an air-fed eucalyptus gasifier with a supercritical carbon dioxide Brayton cycle, an organic Rankine cycle, and heat recovery units to simultaneously produce syngas, electricity, heated water, and heated air. The system is modeled and simulated using Engineering Equation Solver, and the results are validated against available literature data. In addition to conventional energy analysis, detailed exergy, exergo-economic, and environmental analyses are conducted to identify thermodynamic irreversibility, cost formation mechanisms, and CO2 emission characteristics using power-based, heat-based, and outputs-based indicators. Second-order regression-based machine learning models are developed to enable an accurate and computationally efficient six-objective optimization, targeting electrical efficiency, thermal efficiency, cold gas efficiency, total power output, heated water, and heated air. The optimization results indicate an optimal gasification temperature of 864.6 °C and a supercritical carbon dioxide Brayton cycle compression ratio of 2.86, yielding a maximum total power output of 163.6 kW, an electrical efficiency of 7.7%, a thermal efficiency of 4.0%, a cold gas efficiency of 80.6%, a heated water of 345 L/s, and a heated air of 112 m3/s. The combined integration of advanced thermodynamic analyses with AI-assisted optimization provides a novel and holistic framework for the design and sustainability-oriented optimization of biomass-based hybrid energy systems.
{"title":"Eucalyptus gasification-driven energy system for sustainable hydrogen-rich synthesis gas and energy Production: Modeling, analysis, and AI-based multi-objective optimization","authors":"Delina Sangsefidi, Parisa Mojaver","doi":"10.1016/j.ijhydene.2026.153939","DOIUrl":"10.1016/j.ijhydene.2026.153939","url":null,"abstract":"<div><div>This study presents a biomass-driven hybrid energy system designed to enhance efficiency while reducing environmental impacts through a comprehensive thermodynamic, economic, and environmental assessment framework. The proposed system integrates an air-fed eucalyptus gasifier with a supercritical carbon dioxide Brayton cycle, an organic Rankine cycle, and heat recovery units to simultaneously produce syngas, electricity, heated water, and heated air. The system is modeled and simulated using Engineering Equation Solver, and the results are validated against available literature data. In addition to conventional energy analysis, detailed exergy, exergo-economic, and environmental analyses are conducted to identify thermodynamic irreversibility, cost formation mechanisms, and CO<sub>2</sub> emission characteristics using power-based, heat-based, and outputs-based indicators. Second-order regression-based machine learning models are developed to enable an accurate and computationally efficient six-objective optimization, targeting electrical efficiency, thermal efficiency, cold gas efficiency, total power output, heated water, and heated air. The optimization results indicate an optimal gasification temperature of 864.6 °C and a supercritical carbon dioxide Brayton cycle compression ratio of 2.86, yielding a maximum total power output of 163.6 kW, an electrical efficiency of 7.7%, a thermal efficiency of 4.0%, a cold gas efficiency of 80.6%, a heated water of 345 L/s, and a heated air of 112 m<sup>3</sup>/s. The combined integration of advanced thermodynamic analyses with AI-assisted optimization provides a novel and holistic framework for the design and sustainability-oriented optimization of biomass-based hybrid energy systems.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153939"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172803","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 : 2026-03-11Epub Date: 2026-02-09DOI: 10.1016/j.ijhydene.2026.153821
Songcen Wang , Jingshuai Pang , Hongyin Chen , Xinhe Zhang , Jianfeng Li , Fengkai Gao
In this work, a biomass-based multigeneration energy system that simultaneously generates electricity, cooling, and hydrogen is developed and optimized. The suggested setup combines a proton exchange membrane for electrolysis, thermoelectric generators, an externally fired gas turbine, and a downdraft gasifier. Both experimental and published data are used to validate a steady-state model, and thorough parametric, sensitivity, and multi-objective optimization analyses are carried out. The air-side compression ratio and gas turbine inlet temperature have the largest effects on system behavior, according to the one- and two-variable studies. The net power output increases by 62% and the energy efficiency increases from 23.26% to 33.94% when the gas turbine's inlet temperature is raised from 1100 K to 1450 K. By achieving a balanced design, the NSGA-II and TOPSIS optimization framework reduces the levelized cost to 0.0973 $/kWh, shortens the payback period to 4.788 years, and increases energy efficiency to 37.04%. Additionally, the optimized configuration increases total profit to 95.16 M$ and reduces carbon emissions by 11.5%. According to exergy analysis, the primary sources of irreversibility are the combustion chamber and gasifier.
{"title":"Development and optimization of a novel multi-generation energy system powered by woody biomass: A multi-objective approach using NSGA-II","authors":"Songcen Wang , Jingshuai Pang , Hongyin Chen , Xinhe Zhang , Jianfeng Li , Fengkai Gao","doi":"10.1016/j.ijhydene.2026.153821","DOIUrl":"10.1016/j.ijhydene.2026.153821","url":null,"abstract":"<div><div>In this work, a biomass-based multigeneration energy system that simultaneously generates electricity, cooling, and hydrogen is developed and optimized. The suggested setup combines a proton exchange membrane for electrolysis, thermoelectric generators, an externally fired gas turbine, and a downdraft gasifier. Both experimental and published data are used to validate a steady-state model, and thorough parametric, sensitivity, and multi-objective optimization analyses are carried out. The air-side compression ratio and gas turbine inlet temperature have the largest effects on system behavior, according to the one- and two-variable studies. The net power output increases by 62% and the energy efficiency increases from 23.26% to 33.94% when the gas turbine's inlet temperature is raised from 1100 K to 1450 K. By achieving a balanced design, the NSGA-II and TOPSIS optimization framework reduces the levelized cost to 0.0973 $/kWh, shortens the payback period to 4.788 years, and increases energy efficiency to 37.04%. Additionally, the optimized configuration increases total profit to 95.16 M$ and reduces carbon emissions by 11.5%. According to exergy analysis, the primary sources of irreversibility are the combustion chamber and gasifier.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153821"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135638","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 : 2026-03-11Epub Date: 2026-02-10DOI: 10.1016/j.ijhydene.2026.153938
Luigi Marsico , Adele Brunetti , Enrico Catizzone , Massimo Migliori , Giuseppe Barbieri
This work presents the design of a membrane-integrated process for biogas valorisation and renewable hydrogen storage via CO2-to-methanol conversion. The process maximizes CO2 utilisation by incorporating H2 from renewable sources, while simultaneously separating methane from biogas to produce a stream suitable for direct injection into the natural gas grid. Membrane units are integrated upstream and downstream of the methanol synthesis reactor: upstream membranes allow to obtain a CO2-rich stream for methanol production and a CH4-rich stream compliant with grid specifications, while downstream membranes recover unreacted CO2 and H2 for recycling, minimizing emissions and hydrogen losses.
The system is analysed in a step/stage configuration using performance maps from a validated one-dimensional model, accounting for the selectivity and permeance of a polyimide membrane. Results show that biogas can be fully valorised, achieving 98.5% CH4 recovery with molar purity ≥97.5% and ∼97% CO2 conversion to methanol, with nearly complete utilisation of renewable hydrogen. This membrane-integrated approach provides an effective strategy for coupling biogas upgrading with renewable hydrogen storage, enabling sustainable energy storage in the form of methanol e-fuels and contributing to carbon-neutral energy pathways.
{"title":"Membrane-integrated process for simultaneous biogas upgrading and hydrogen storage via methanol","authors":"Luigi Marsico , Adele Brunetti , Enrico Catizzone , Massimo Migliori , Giuseppe Barbieri","doi":"10.1016/j.ijhydene.2026.153938","DOIUrl":"10.1016/j.ijhydene.2026.153938","url":null,"abstract":"<div><div>This work presents the design of a membrane-integrated process for biogas valorisation and renewable hydrogen storage via CO<sub>2</sub>-to-methanol conversion. The process maximizes CO<sub>2</sub> utilisation by incorporating H<sub>2</sub> from renewable sources, while simultaneously separating methane from biogas to produce a stream suitable for direct injection into the natural gas grid. Membrane units are integrated upstream and downstream of the methanol synthesis reactor: upstream membranes allow to obtain a CO<sub>2</sub>-rich stream for methanol production and a CH<sub>4</sub>-rich stream compliant with grid specifications, while downstream membranes recover unreacted CO<sub>2</sub> and H<sub>2</sub> for recycling, minimizing emissions and hydrogen losses.</div><div>The system is analysed in a step/stage configuration using performance maps from a validated one-dimensional model, accounting for the selectivity and permeance of a polyimide membrane. Results show that biogas can be fully valorised, achieving 98.5% CH<sub>4</sub> recovery with molar purity ≥97.5% and ∼97% CO<sub>2</sub> conversion to methanol, with nearly complete utilisation of renewable hydrogen. This membrane-integrated approach provides an effective strategy for coupling biogas upgrading with renewable hydrogen storage, enabling sustainable energy storage in the form of methanol e-fuels and contributing to carbon-neutral energy pathways.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153938"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172751","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}
The growing scarcity of conventional energy sources increases the need for sustainable alternatives, and hydrogen emerges as a promising option despite challenges in production, storage, and distribution. This study presents a transition-metal-oxide (TMO) composite, CuO/NiFe2O4 (CuNiFe), which functions as a bifunctional electrocatalyst for both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) in alkaline medium. The catalyst requires overpotentials of 123 mV for HER and 378 mV for OER at 10 mA cm−2. Its HER Tafel slope of 104 mV dec−1 indicates that the rate-limiting step is electrochemical adsorption, which is consistent with the Volmer–Heyrovsky pathway under alkaline conditions. An alkaline electrolyser assembled with CuNiFe electrodes operates at 1.69 V to reach 10 mA cm−2 in 1 M KOH. These results demonstrate that CuNiFe offers an efficient, noble-metal-free route for sustainable hydrogen production.
传统能源的日益稀缺增加了对可持续替代品的需求，尽管在生产、储存和分配方面存在挑战，但氢成为了一个有前途的选择。本文研究了一种过渡金属氧化物（TMO）复合材料CuO/NiFe2O4 （CuNiFe）在碱性介质中作为析氢反应（HER）和析氧反应（OER）的双功能电催化剂。催化剂在10 mA cm−2下，HER需要过电位123 mV， OER需要过电位378 mV。其HER Tafel斜率为104 mV dec−1，表明其限速步骤为电化学吸附，与碱性条件下的Volmer-Heyrovsky途径一致。用CuNiFe电极组装的碱性电解槽工作电压为1.69 V，在1 M KOH中达到10 mA cm−2。这些结果表明，CuNiFe为可持续制氢提供了一种高效、无贵金属的途径。
{"title":"CuO/NiFe2O4 composite as a bifunctional electrocatalyst for alkaline water splitting in hydrogen generation application","authors":"Thangesh Thanesh , Anuradha Ramani , Nagarajan Srinivasan , Sabarinathan Venkatachalam","doi":"10.1016/j.ijhydene.2026.153910","DOIUrl":"10.1016/j.ijhydene.2026.153910","url":null,"abstract":"<div><div>The growing scarcity of conventional energy sources increases the need for sustainable alternatives, and hydrogen emerges as a promising option despite challenges in production, storage, and distribution. This study presents a transition-metal-oxide (TMO) composite, CuO/NiFe<sub>2</sub>O<sub>4</sub> (CuNiFe), which functions as a bifunctional electrocatalyst for both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) in alkaline medium. The catalyst requires overpotentials of 123 mV for HER and 378 mV for OER at 10 mA cm<sup>−2</sup>. Its HER Tafel slope of 104 mV dec<sup>−1</sup> indicates that the rate-limiting step is electrochemical adsorption, which is consistent with the Volmer–Heyrovsky pathway under alkaline conditions. An alkaline electrolyser assembled with CuNiFe electrodes operates at 1.69 V to reach 10 mA cm<sup>−2</sup> in 1 M KOH. These results demonstrate that CuNiFe offers an efficient, noble-metal-free route for sustainable hydrogen production.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153910"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172843","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}
<div><div>Methane (CH<sub>4</sub>) pyrolysis is a promising route to produce CO<sub>2</sub>-free “turquoise” hydrogen (H<sub>2</sub>), but its efficiency is hampered by coke deposition, which deactivates catalysts and clogs reactors. This study presents a novel integrated computational fluid dynamics, Plackett–Burman design, and response surface methodology (CFD-PBD-RSM) framework for optimizing CH<sub>4</sub> pyrolysis reactors, achieving maximum H<sub>2</sub> production while minimizing coke deposition. CFD accurately models the complex dynamics of coke deposition, which are crucial for understanding CH<sub>4</sub> pyrolysis. The Plackett–Burman Design (PBD) provides efficient and rapid screening of process variables, identifying those with the greatest impact on the two key responses (the amount of produced coke and H<sub>2</sub> concentration). The PBD was employed to screen eleven process variables, highlighting the most significant factors. Following this, RSM, using a central composite design (CCD), was applied for multi-objective optimization. Four key factors, temperature, catalyst loading, bed porosity, and CH<sub>4</sub> partial pressure, were evaluated through CFD simulations to optimize both H<sub>2</sub> production and coke deposition. The CFD model quantified the underlying trade-off that raising the reactor temperature from 837 K to 913 K intensified axial H<sub>2</sub> production, elevating the outlet concentration from 0.28 mol m<sup>−3</sup> to 2.02 mol m<sup>−3</sup>. However, this simultaneously accelerated coking, increasing bed porosity loss from 3.0 % to 12.5 % and advancing the porosity-loss front toward the reactor outlet. The simulations indicated that at temperature = 880–900 K, catalyst loading = 300–350 kg m<sup>−3</sup>, bed porosity = 0.42–0.46, and CH<sub>4</sub> partial pressure = 0.75–0.85, the H<sub>2</sub> concentration can be maximized while maintaining coke deposition within a controllable range. Two operational scenarios were derived from the CCD optimization. In first scenario, corresponding to maximum outlet H<sub>2</sub> concentration (3.21–3.24 mol m<sup>−3</sup>) controlled coke deposition (0.019 kg) was achieved at a temperature of 912.5 K, bed porosity = 0.35, CH<sub>4</sub> partial pressure = 0.70 atm, and catalyst loading = 250 kg m<sup>−3</sup>. In second scenario, which minimized coke formation (0.012 kg) while maintaining acceptable outlet H<sub>2</sub> concentration (1.85–1.89 mol m<sup>−3</sup> (occurred at a temperature = 854 K, bed porosity = 0.45, CH<sub>4</sub> partial pressure = 0.875 lg, and catalyst loading = 250 kg m<sup>−3</sup>. Both CCD-derived optimization scenarios were validated using CFD simulation. The CFD model confirmed that the developed hybrid model accurately predicts the responses. The findings offer a critical pathway for scaling up methane pyrolysis, directly addressing the key technical barrier of coke deposition to advance the industrial realization of turquoise hydro
甲烷（CH4）热解是一种生产无二氧化碳“绿松石”氢（H2）的有前途的途径，但其效率受到焦炭沉积的影响，焦炭沉积会使催化剂失活并堵塞反应器。本研究提出了一种新的集成计算流体动力学、Plackett-Burman设计和响应面法（CFD-PBD-RSM）框架，用于优化CH4热解反应器，在最大限度地减少焦炭沉积的同时实现最大的H2产量。CFD准确地模拟了焦炭沉积的复杂动力学，这对理解CH4热解至关重要。Plackett-Burman设计（PBD）提供了高效和快速的过程变量筛选，确定那些对两个关键响应（焦炭产量和H2浓度）影响最大的变量。PBD被用来筛选11个过程变量，突出最显著的因素。在此基础上，采用中心复合设计（CCD）的RSM进行多目标优化。通过CFD模拟，对温度、催化剂负载、床层孔隙度和CH4分压这四个关键因素进行了评估，以优化H2产量和焦炭沉积。CFD模型量化了将反应器温度从837 K提高到913 K会促进轴向H2生成，将出口浓度从0.28 mol m−3提高到2.02 mol m−3的权衡。然而，这同时加速了焦化，使床层孔隙率损失从3.0%增加到12.5%，并使孔隙率损失前沿向反应器出口推进。模拟结果表明，在温度为880 ~ 900 K、催化剂负载为300 ~ 350 kg m−3、床层孔隙度为0.42 ~ 0.46、CH4分压为0.75 ~ 0.85的条件下，H2浓度可达到最大值，且焦炭沉积控制在可控范围内。通过CCD优化得到了两种操作场景。在第一种方案中，在912.5 K温度、床层孔隙度= 0.35、CH4分压= 0.70 atm、催化剂负载= 250 kg m−3的条件下，控制焦炭沉积（0.019 kg）达到最大出口H2浓度（3.21 ~ 3.24 mol m−3）。在第二种情况下，在温度= 854 K、床层孔隙度= 0.45、CH4分压= 0.875 lg、催化剂负载= 250 kg m - 3的条件下，在保持可接受的H2浓度（1.85-1.89 mol m - 3）的情况下，最大限度地减少了焦炭的形成（0.012 kg）。通过CFD模拟验证了两种基于ccd的优化方案。CFD模型验证了所建立的混合模型对响应的准确预测。研究结果为扩大甲烷热解规模提供了关键途径，直接解决了焦炭沉积的关键技术障碍，推进了绿松石氢的工业化实现。
{"title":"Integrated modeling, screening, and optimization of the hydrogen-coke trade-off in catalytic methane pyrolysis within a fixed-bed reactor","authors":"Mahdi Abdi-Khanghah, Solmaz Rajabi-Firoozabadi, Jue Zhu","doi":"10.1016/j.ijhydene.2026.153844","DOIUrl":"10.1016/j.ijhydene.2026.153844","url":null,"abstract":"<div><div>Methane (CH<sub>4</sub>) pyrolysis is a promising route to produce CO<sub>2</sub>-free “turquoise” hydrogen (H<sub>2</sub>), but its efficiency is hampered by coke deposition, which deactivates catalysts and clogs reactors. This study presents a novel integrated computational fluid dynamics, Plackett–Burman design, and response surface methodology (CFD-PBD-RSM) framework for optimizing CH<sub>4</sub> pyrolysis reactors, achieving maximum H<sub>2</sub> production while minimizing coke deposition. CFD accurately models the complex dynamics of coke deposition, which are crucial for understanding CH<sub>4</sub> pyrolysis. The Plackett–Burman Design (PBD) provides efficient and rapid screening of process variables, identifying those with the greatest impact on the two key responses (the amount of produced coke and H<sub>2</sub> concentration). The PBD was employed to screen eleven process variables, highlighting the most significant factors. Following this, RSM, using a central composite design (CCD), was applied for multi-objective optimization. Four key factors, temperature, catalyst loading, bed porosity, and CH<sub>4</sub> partial pressure, were evaluated through CFD simulations to optimize both H<sub>2</sub> production and coke deposition. The CFD model quantified the underlying trade-off that raising the reactor temperature from 837 K to 913 K intensified axial H<sub>2</sub> production, elevating the outlet concentration from 0.28 mol m<sup>−3</sup> to 2.02 mol m<sup>−3</sup>. However, this simultaneously accelerated coking, increasing bed porosity loss from 3.0 % to 12.5 % and advancing the porosity-loss front toward the reactor outlet. The simulations indicated that at temperature = 880–900 K, catalyst loading = 300–350 kg m<sup>−3</sup>, bed porosity = 0.42–0.46, and CH<sub>4</sub> partial pressure = 0.75–0.85, the H<sub>2</sub> concentration can be maximized while maintaining coke deposition within a controllable range. Two operational scenarios were derived from the CCD optimization. In first scenario, corresponding to maximum outlet H<sub>2</sub> concentration (3.21–3.24 mol m<sup>−3</sup>) controlled coke deposition (0.019 kg) was achieved at a temperature of 912.5 K, bed porosity = 0.35, CH<sub>4</sub> partial pressure = 0.70 atm, and catalyst loading = 250 kg m<sup>−3</sup>. In second scenario, which minimized coke formation (0.012 kg) while maintaining acceptable outlet H<sub>2</sub> concentration (1.85–1.89 mol m<sup>−3</sup> (occurred at a temperature = 854 K, bed porosity = 0.45, CH<sub>4</sub> partial pressure = 0.875 lg, and catalyst loading = 250 kg m<sup>−3</sup>. Both CCD-derived optimization scenarios were validated using CFD simulation. The CFD model confirmed that the developed hybrid model accurately predicts the responses. The findings offer a critical pathway for scaling up methane pyrolysis, directly addressing the key technical barrier of coke deposition to advance the industrial realization of turquoise hydro","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"216 ","pages":"Article 153844"},"PeriodicalIF":8.3,"publicationDate":"2026-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172804","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}
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