{"title":"Suppression of CH4 formation via Mn and Fe partial substitution in LaCoO3 for the preferential oxidation of CO in H2 streams","authors":"Noluvuyo Ndila, Patricia J. Kooyman","doi":"10.1016/j.ijhydene.2026.156187","DOIUrl":"10.1016/j.ijhydene.2026.156187","url":null,"abstract":"<div><div>The selective removal of CO from hydrogen-rich reformate streams via preferential oxidation (CO-PROX) remains a critical challenge for the deployment of low temperature fuel cells, as CO poisons Pt anode catalysts. This work reports a B-site engineering strategy in which Co is partially substituted with Mn or Fe in LaCoO<sub>3</sub> perovskites to enhance oxygen mobility and redox performance while suppressing side reactions. LaCo<sub>1-x</sub>M<sub>x</sub>O<sub>3</sub> (M = Mn or Fe; x = 0-0.2) catalysts are synthesized by the Pechini method and characterized using XRD, STEM-EDS, TPR/TPO, and in-situ XRD. Mn and Fe substitution expands the perovskite lattice and shifts Co<sup>3+</sup>/Co<sup>2+</sup> redox transitions to lower temperatures. The first reduction peak decreases from 480°C for LaCoO<sub>3</sub> to 379°C and 430°C for Mn- and Fe-substituted catalysts, respectively. LaCo<sub>0.85</sub>Mn<sub>0.15</sub>O<sub>3</sub> achieves 99.9% CO conversion at 250°C, while LaCo<sub>0.85</sub>Fe<sub>0.15</sub>O<sub>3</sub> maintains ∼90% conversion at 310°C, both with negligible CH<sub>4</sub> formation. Long-term tests confirm stable operation.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156187"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yanlong Guan, Huiying Guo, Yuankai Zhang, Ning Xu, Xiaowei Zhang, Diansheng Wang, Yudou Wang
{"title":"ReaxFF molecular dynamics simulation of kerogen pyrolysis for in-situ conversion under an oscillating electric field: Unraveling the microscopic mechanisms of frequency and intensity","authors":"Yanlong Guan, Huiying Guo, Yuankai Zhang, Ning Xu, Xiaowei Zhang, Diansheng Wang, Yudou Wang","doi":"10.1016/j.ijhydene.2026.156209","DOIUrl":"10.1016/j.ijhydene.2026.156209","url":null,"abstract":"<div><div>Understanding the microscopic mechanism of kerogen pyrolysis under oscillating electric field (OEF) is crucial for enhancing kerogen conversion efficiency. In this study, the pyrolysis behavior of type II kerogen under OEF with different frequencies (50-200 GHz) and intensities (0.5-2.0 V/Å) was systematically investigated by using the reactive molecular dynamics (ReaxFF-MD) method. The effects of the electric field parameters on the product distribution, the element migration paths and the kinetics of the radical reaction were analyzed. The results demonstrate the electric field frequency selectively activates chemical bonds, yielding differentiated product distributions. Analysis of dipole moment dynamic response reveals the relationship between field frequency and selective bond dissociation, where the periodic reorientation of polar groups generates torsional stress within the molecular skeleton, concentrating at sites of high polarity or low bond dissociation energy (BDE). The electric field intensity systematically enhances the chemical bond breaking rate and free radical concentration through the enhancement of the system polarization and forced oscillation intensity. This study elucidates the physical nature of OEF to affect the pyrolysis process by action on polar intermediates at the molecular scale, providing important theoretical support for the efficient conversion of oil shale using microwaves.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156209"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572077","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}
{"title":"Real options for hydrogen forklift adoption and government phase-out policy","authors":"Yeon-Chan Seong, Deok-Joo Lee, Saedaseul Moon","doi":"10.1016/j.ijhydene.2026.156110","DOIUrl":"10.1016/j.ijhydene.2026.156110","url":null,"abstract":"<div><div>This paper develops an integrated forklift(FL) replacement framework that combines a real-options model for diesel-to-fuel-cell transition timing and dynamic programming for post-transition replacement. The model endogenizes fuel-price uncertainty, technology cost learning, phase-out schedules, subsidies with eight-year mandates, and irreversible refueling investments, and computes expected transition timing, voluntary pre-transition probability, and social welfare. Without policy, the expected transition occurs in 2068.6 under a flat hydrogen price or 2060.3 under the government’s target path, indicating a strong option to wait. With a 2045 sales ban, the expected transition year is 2041.4 with subsidies and 2042.7 without, and pre-transition probabilities are 11.6% and 0%. Sensitivity analysis shows pre-transition probability is most elastic to FCFL operating and infrastructure costs, increases with operating hours and diesel price volatility, rises with later phase-out years, and welfare improves with later phase-out. These insights guide strategies and policy design to align private timing with societal goals.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156110"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572078","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}
{"title":"Zr-doped hydrotalcite-derived catalysts boost and stabilise Cu+ to enhance low-temperature water-gas shift reactions","authors":"Chun Wang, Aiqing Shao, Linying Zhang, Jinsong Lin, Binjia Xu, Kecheng Li, Ruilin Wang, Junguang Meng","doi":"10.1016/j.ijhydene.2026.156140","DOIUrl":"10.1016/j.ijhydene.2026.156140","url":null,"abstract":"<div><div>The development of highly active and stable water-gas shift (WGS) catalysts has become focuses for hydrogen production. In this study, a series of hydrotalcite-derived catalysts were synthesized to investigate the effects of Zr doping on the catalyst structure and its WGS performance. The results indicate that the Cu<sub>2</sub>Mn<sub>1</sub>Al<sub>0.5</sub>Zr<sub>0.5</sub> exhibits the highest activity and stability. At 30000 mL g<sup>−1</sup> h<sup>−1</sup>, the activity decay rate over 50 h was only 0.11% h<sup>−1</sup>. Characterization results indicate that Zr doping enhances the catalyst's reducibility, increases the oxygen vacancies and the key active species Cu<sup>+</sup>, which are the primary factors contributing to the improved activity. Based on the characterization of spent catalysts, Zr doping stabilizes the concentration of surface defects and Cu<sup>+</sup> species during the reaction, which is key to maintaining the high stability. DFT calculations indicate that Zr doping not only enhances the adsorption capacity of intermediates but also lowers the activation energy barrier.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156140"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572103","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}
{"title":"Gigawatt-scale green hydrogen deployment: A review and roadmap","authors":"Yasemin Erbay, Celal Erbay","doi":"10.1016/j.ijhydene.2026.156181","DOIUrl":"10.1016/j.ijhydene.2026.156181","url":null,"abstract":"<div><div>Gigawatt-scale green hydrogen is increasingly viewed as a key pathway for decarbonizing hard-to-abate industries and supporting high-renewable energy systems, yet large-scale deployment remains constrained by technology scale-up, infrastructure readiness, cost, and market design. This review synthesizes engineering, techno-economic, policy, and market evidence across the green hydrogen value chain, from renewable electricity supply and electrolysis to storage, transport, distribution, and end use. The analysis compares major electrolysis technologies, emphasizing modularization, manufacturing expansion, and material constraints that shape near-term gigawatt deployment. It evaluates renewable integration strategies, including hybrid wind-solar configurations, electrolyzer sizing, and hydrogen hubs, for improving utilization and reducing levelized cost of hydrogen. Large-scale storage and transport options are assessed in terms of scalability, conversion losses, and distance dependence. The review identifies the main technical, financial, and regulatory barriers and proposes a phased roadmap for 2026–2050 to guide coordinated action by governments, industry, and researchers.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156181"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572162","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}
Ruveyda N. Kaplan, Gamze Atalmis Sari, Osman Kumuk, Fuat Kaya
{"title":"Comprehensive numerical analysis of hydrogen production via methane pyrolysis","authors":"Ruveyda N. Kaplan, Gamze Atalmis Sari, Osman Kumuk, Fuat Kaya","doi":"10.1016/j.ijhydene.2026.156255","DOIUrl":"10.1016/j.ijhydene.2026.156255","url":null,"abstract":"<div><div>Hydrogen is a key energy carrier for decarbonization due to its high energy density and zero carbon emissions. Methane pyrolysis has emerged as a promising alternative to conventional hydrogen production routes, offering intrinsic carbon capture without CO<sub>2</sub> formation. In this study, the impact of reactor geometrical characteristics on methane pyrolysis performance was numerically investigated using COMSOL Multiphysics. The model was validated against literature data, showing strong agreement. The results demonstrate that geometric scaling significantly alters flow structure, transport phenomena, and carbon formation kinetics. A 25% increase in reactor dimensions enhances velocity magnitude by 9.61% and solid carbon formation by 6.66% at 1373 K, whereas a 25% reduction leads to decreases of 7.69% and 11.11%, respectively. At 1273 K, the methane decomposition rate increased by 49.3% with a proportional increase in the reactor geometry, whereas it decreased by 30% with a proportional reduction in the reactor geometry.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156255"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572167","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}
{"title":"Effects of hydrogen direct injection on combustion and emission characteristics of a hydrous ethanol SI engine","authors":"Decheng Li, Xiumin Yu, Dawei Zhao, Zhipeng Hu, Jufang Zhang, Haopo Sun","doi":"10.1016/j.ijhydene.2026.156174","DOIUrl":"10.1016/j.ijhydene.2026.156174","url":null,"abstract":"<div><div>Hydrous ethanol is a low-cost, carbon-neutral spark-ignition engine fuel, yet it features low combustion rate and poor cyclic stability. This study proposes a combined injection strategy of hydrogen direct injection and hydrous ethanol port injection. The effects of hydrogen blending ratio (HBR, 0–20%) and ignition timing (0–12 °CA BTDC) are investigated. The results show that hydrogen addition accelerates combustion, shortening flame development and rapid combustion periods by up to 58.6% and 25.8% at 20% HBR. In terms of engine performance, the IMEP increases by 4.16%, indicated specific fuel consumption decreases by 4.00% and COV<sub>IMEP</sub> is reduced by 54.09% at 20% HBR. For emission characteristics, HC and CO decrease by 14.8% and 27.2% respectively at 20% HBR, while NO<sub>x</sub> rises. This combined injection strategy facilitates the clean and efficient application of hydrous ethanol and hydrogen in engines.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156174"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572003","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}
Farshid Y. Farrokhi, Alessandro Piscopo, Alessandro Parente, Ward De Paepe
{"title":"Experimental and numerical study of a fuel-flexible micro gas turbine with hydrogen enrichment under exhaust gas recirculation","authors":"Farshid Y. Farrokhi, Alessandro Piscopo, Alessandro Parente, Ward De Paepe","doi":"10.1016/j.ijhydene.2026.156149","DOIUrl":"10.1016/j.ijhydene.2026.156149","url":null,"abstract":"<div><div>In the transition toward decarbonized, high-efficiency energy systems, hydrogen is a promising carbon-free fuel despite NO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> and infrastructure compatibility challenges. Micro gas turbines (mGTs) provide a flexible platform for its integration, while exhaust gas recirculation (EGR) helps mitigating combustion issues and supports carbon capture. However, the combined effects of hydrogen enrichment and EGR under realistic mGT conditions remain unclear. This study investigates operability, emissions, and combustion characteristics of hydrogen-enriched methane (0–50 vol%) with EGR (up to 85%) in a small-scale mGT. Experiments, RANS simulations, and kinetic analyses were combined with 1D laminar flame calculations and system efficiency evaluation. Results show that EGR moderates the increased laminar flame speed induced by hydrogen enrichment, restoring flame stability to levels comparable to pure methane for high hydrogen cases, without significant CO penalties. Hydrogen levels of 10–30 vol% improve efficiency, with moderate EGR providing the best trade-off between stability, emissions, and performance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156149"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572130","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}
{"title":"Editorial preface of the special issue on “Hydrogen energy nexus: Science, technology, and innovation”","authors":"Ashish Bhatnagar, Ankur Jain","doi":"10.1016/j.ijhydene.2026.156059","DOIUrl":"10.1016/j.ijhydene.2026.156059","url":null,"abstract":"","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156059"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572156","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}
Rui Song, Jiajun Peng, Jianjun Liu, Chunhe Yang, Yao Wang
{"title":"Pore-scale insights on displacement patterns of H2-water flow in underground H2 storage considering in-situ heterogeneous wettability","authors":"Rui Song, Jiajun Peng, Jianjun Liu, Chunhe Yang, Yao Wang","doi":"10.1016/j.ijhydene.2026.156179","DOIUrl":"10.1016/j.ijhydene.2026.156179","url":null,"abstract":"<div><div>Understanding displacement patterns of H<sub>2</sub>-water flow under in-situ heterogeneous wettability is crucial for optimizing the operations of underground H<sub>2</sub> storage (UHS). As the first effort in literature, water-H<sub>2</sub> displacement in the 3D reconstructed pore model is investigated considering in-situ heterogeneous wettability. The effects of capillary number (<em>Ca</em>) and viscosity ratio (<em>M</em>) on the displacement pattern are analyzed. The <em>Ca-M</em> phase diagram of the displacement pattern is established. Results show that pore-scale water-H<sub>2</sub> displacement can be classified into four displacement patterns. The classical <em>Ca-M</em> phase diagram obtained in the 2D pore model fails to describe the 3D water-H<sub>2</sub> displacement in natural rock. Under middling <em>Ca</em> conditions, both capillary and viscous fingering effects are suppressed, enabling hydrogen withdrawal to achieve higher extraction efficiency. During UHS (10 ≤ <em>M</em> ≤ 100), when the hydrogen withdrawal rate is adjusted to make 10<sup>−3.5</sup> ≤ <em>Ca</em> ≤ 10<sup>−2.5</sup>, hydrogen withdrawal can achieve the highest extraction efficiency.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"252 ","pages":"Article 156179"},"PeriodicalIF":9.2,"publicationDate":"2026-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148572174","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}