International Journal of Hydrogen Energy最新文献

筛选
英文 中文
Impact of sintering procedures on the densification and conductivity of BaZr0.4Ce0.4Y0.1Yb0.1O3-δ electrolyte for protonic ceramic fuel cells 烧结工艺对质子陶瓷燃料电池用BaZr0.4Ce0.4Y0.1Yb0.1O3-δ电解质致密性和电导率的影响
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.241
Lozane Hamze, Annie Le Gal La Salle, Olivier Joubert, Eric Quarez
{"title":"Impact of sintering procedures on the densification and conductivity of BaZr0.4Ce0.4Y0.1Yb0.1O3-δ electrolyte for protonic ceramic fuel cells","authors":"Lozane Hamze,&nbsp;Annie Le Gal La Salle,&nbsp;Olivier Joubert,&nbsp;Eric Quarez","doi":"10.1016/j.ijhydene.2025.05.241","DOIUrl":"10.1016/j.ijhydene.2025.05.241","url":null,"abstract":"<div><div>BaZr<sub>0.4</sub>Ce<sub>0.4</sub>Y<sub>0.1</sub>Yb<sub>0.1</sub>O<sub>2.9</sub> (BZCYYb4411), a promising proton-conducting electrolyte, requires high sintering temperatures, typically 1600 °C, to be densified to acceptable relative densities, greater than 90 %. This study explores three sintering strategies to reduce the sintering temperature to 1400 °C. The approaches include (1) external ZnO addition, (2) internal Zn doping, and (3) fluorite-phase Zr<sub>0.4</sub>Ce<sub>0.4</sub>Y<sub>0.1</sub>Yb<sub>0.1</sub>O<sub>1.9</sub> (ZCYYb4411) addition as a sintering aid. All methods yielded pure ceramics adopting the <em>I</em>4/<em>mcm</em> tetragonal perovskite phase, with Zn-based strategies achieving relative densities above 90 %. In contrast, the addition of the fluorite phase proved less effective, particularly at higher concentrations. In most cases, the conventional calcination step was avoided, and a relative density above 90 % was achieved through single-step sintering at 1400 °C, thereby improving energy efficiency and simplifying the process. The selected samples were subjected to SEM analysis and conductivity testing, revealing a high conductivity level: BaZr<sub>0.4</sub>Ce<sub>0.4</sub>Y<sub>0.05</sub>Yb<sub>0.1</sub>Zn<sub>0.05</sub>O<sub>3-δ</sub> reached 0.9 × 10<sup>−2</sup> S cm<sup>−1</sup>, while BZCYYb4411 with 0.5 wt% ZnO addition achieved 0.6 × 10<sup>−2</sup> S cm<sup>−1</sup> at 700 °C in humidified N<sub>2</sub> underscoring the effectiveness of these approaches in enhancing the sintering of BZCYYb4411 while maintaining a high level of conductivity.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 316-324"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124068","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}
引用次数: 0
Parametric investigation and multi-objective optimization of building-integrated hybrid energy storage system with metal hydride tank 金属氢化物储罐建筑一体化混合储能系统参数研究与多目标优化
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.04.522
Nikolaos Ziozas , Petros Iliadis , Evangelos Bellos , Angeliki Kitsopoulou , Renos Rotas , Dimitra Gonidaki , Nikolaos Nikolopoulos
{"title":"Parametric investigation and multi-objective optimization of building-integrated hybrid energy storage system with metal hydride tank","authors":"Nikolaos Ziozas ,&nbsp;Petros Iliadis ,&nbsp;Evangelos Bellos ,&nbsp;Angeliki Kitsopoulou ,&nbsp;Renos Rotas ,&nbsp;Dimitra Gonidaki ,&nbsp;Nikolaos Nikolopoulos","doi":"10.1016/j.ijhydene.2025.04.522","DOIUrl":"10.1016/j.ijhydene.2025.04.522","url":null,"abstract":"<div><div>The present analysis investigates a hybrid energy storage system consisting of lead-acid batteries and a hydrogen storage tank using metal hydrides. A dynamic simulation is conducted for a 1000 m<sup>2</sup> building, supported by photovoltaics and a hybrid storage system to meet annual appliance and lighting demands. The research focuses on optimal system sizing to minimize both grid electricity demand and total capital costs. Multi-objective optimization was conducted through a Dymola–Python NSGA-II algorithm interface, while energy simulations utilized the INTEMA.building tool. Results indicate an optimal solution with 118 lead-acid batteries (339.84 kWh) and a 4 kg H<sub>2</sub> capacity of a metal hydride storage tank, achieving 99.2 % grid autonomy. Although the 40 kW and 50 kW PV systems achieve comparable energy autonomy (98 %), their total cost is doubled compared to the optimal solution due to increased demanded MH tank capacity (60 kg H<sub>2</sub>) to support the battery system, outperforming the total cost.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 203-219"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124159","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}
引用次数: 0
Gel-derived NiO–MoS2 for the scalable fabrication of bifunctional screen-printed electrodes for overall water splitting 凝胶衍生的NiO-MoS2用于可扩展制造双功能丝网印刷电极,用于整体水分解
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.296
Zhoveta Yhobu , Muralikrishna Sreeramareddygari , Chatuporn Phanthong , Srinivasa Budagumpi , Doddahalli H. Nagaraju , Wachira Chaiworn , Mithran Somasundrum , Patsamon Rijiravanich , Surawut Chuangchote , Werasak Surareungchai
{"title":"Gel-derived NiO–MoS2 for the scalable fabrication of bifunctional screen-printed electrodes for overall water splitting","authors":"Zhoveta Yhobu ,&nbsp;Muralikrishna Sreeramareddygari ,&nbsp;Chatuporn Phanthong ,&nbsp;Srinivasa Budagumpi ,&nbsp;Doddahalli H. Nagaraju ,&nbsp;Wachira Chaiworn ,&nbsp;Mithran Somasundrum ,&nbsp;Patsamon Rijiravanich ,&nbsp;Surawut Chuangchote ,&nbsp;Werasak Surareungchai","doi":"10.1016/j.ijhydene.2025.05.296","DOIUrl":"10.1016/j.ijhydene.2025.05.296","url":null,"abstract":"<div><div>The fabrication of flexible, free-standing electrodes is crucial for advancing renewable energy technologies, particularly in energy conversion and storage. Traditional electrode fabrication methods often involve complex procedures, high material wastage, and limited scalability, whereas screen printing offers a cost-effective, reproducible, and scalable approach for producing high-performance electrodes with uniform coatings. This study introduces a versatile screen-printing strategy for fabricating flexible carbon cloth (CC) electrodes using NiO–MoS<sub>2</sub> ink derived from a solvothermal method. The resulting screen-printed CC electrodes function as efficient bifunctional catalysts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and overall water splitting in alkaline media. The NiO–MoS<sub>2</sub> screen-printed CC electrode exhibits excellent electrocatalytic performance, achieving an OER overpotential (<em>η</em><sub>10</sub>) of 382 mV <em>vs</em> RHE with a Tafel slope of 75 mV/dec and HER overpotential (<em>η</em><sub>10</sub>) of −159 mV <em>vs</em> RHE and Tafel slope of 116 mV/dec. To further demonstrate its bifunctionality, the NiO–MoS<sub>2</sub> screen-printed CC electrode was assembled into a water-splitting electrolyzer, requiring a cell voltage of 1.79 V to reach a current density of 10 mA/cm<sup>2</sup> and exhibiting outstanding operational durability. The robustness and structural integrity of the developed electrode is confirmed by the post-stability analysis, highlighting the potential of the methodology reported in this work for the scalable fabrication of high-performance electrodes for water splitting applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 247-256"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124252","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}
引用次数: 0
Origin of the distinct site occupations of H atom in hcp Ti and Zr/Hf hcp Ti和Zr/Hf中H原子不同占位的起源
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.249
Fan-Xi Yang , Yi-Fei Zhu , Shuo Cao , Chao-Ming Wang , Ying-Jie Ma , Rui Yang , Qing-Miao Hu
{"title":"Origin of the distinct site occupations of H atom in hcp Ti and Zr/Hf","authors":"Fan-Xi Yang ,&nbsp;Yi-Fei Zhu ,&nbsp;Shuo Cao ,&nbsp;Chao-Ming Wang ,&nbsp;Ying-Jie Ma ,&nbsp;Rui Yang ,&nbsp;Qing-Miao Hu","doi":"10.1016/j.ijhydene.2025.05.249","DOIUrl":"10.1016/j.ijhydene.2025.05.249","url":null,"abstract":"<div><div>The location of the H atoms in Ti, Zr, and Hf is crucial to the formation of the hydrides in these metals as it influences the crystal lattice transformation and the hydrogen diffusion involved in the hydride formation process. Although Ti, Zr, and Hf are all of hexagonal close-packed structure with similar lattice parameters, the solute H atom occupies the octahedral interstice in Ti but the tetragonal interstice in Zr and Hf, of which the origin is still mysterious. In the present work, the origin of the distinct site occupation behavior of H atom in Ti and Zr/Hf is investigated through first principles calculations. The calculated solution energies confirm that H prefers the octahedral interstice in Ti but the tetrahedral interstice in Zr and Hf. We ascribe the distinct site occupations of H in Ti and Zr/Hf to the varying Coulomb repulsion between the H (as a screened proton in the metals) and the matrix atoms against the interstitial size. The competition between the H-induced electron accumulation effect and the matrix atom debonding effect might matter as well. We propose that, as a general rule, a H atom prefers the site with a trade-off between a large space and a high electron density in metals.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 409-416"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144130951","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}
引用次数: 0
Large-scale green hydrogen production via chemical looping of unused biomass with optimized supply networks 通过优化供应网络的未使用生物质化学循环大规模绿色制氢
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.194
Nahyeon Kim, Yeongeun Joo, Hyeonjeong Lee, Sumin Jeong, Soonho Hwangbo
{"title":"Large-scale green hydrogen production via chemical looping of unused biomass with optimized supply networks","authors":"Nahyeon Kim,&nbsp;Yeongeun Joo,&nbsp;Hyeonjeong Lee,&nbsp;Sumin Jeong,&nbsp;Soonho Hwangbo","doi":"10.1016/j.ijhydene.2025.05.194","DOIUrl":"10.1016/j.ijhydene.2025.05.194","url":null,"abstract":"<div><div>This study examines a hydrogen production system using unused biomass for large-scale industrial application. The process integrates chemical looping with a waste separation system for byproduct recovery. To improve efficiency, optimal transportation routes were identified to cut logistics costs and carbon emissions. A deterministic programming-based optimization model was applied for practicality. Economic and environmental assessments showed efficient resource use, lower hydrogen production costs, and reduced carbon emissions. This system reduces greenhouse gas emissions by over 68 % compared to conventional green hydrogen production, demonstrating its environmental advantage. The study introduces a novel approach by integrating chemical looping with biomass and optimizing transportation through electric vehicles. Additionally, multi-criteria decision-making was applied to develop operational strategies from government and corporate perspectives. This study offers a sustainable solution for hydrogen supply chains and outlines a pathway for carbon-neutral hydrogen production, providing insights for industry and policymakers aiming for a low-carbon economy.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 325-345"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124162","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}
引用次数: 0
Research progress on the reaction kinetics mechanism of hydrogen-blended fuel combustion 氢混合燃料燃烧反应动力学机理的研究进展
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.231
Jun Wang , Fangming Cheng , Mingtai Zhou , Zhenmin Luo , Shijie Xin , Xiaokun Chen
{"title":"Research progress on the reaction kinetics mechanism of hydrogen-blended fuel combustion","authors":"Jun Wang ,&nbsp;Fangming Cheng ,&nbsp;Mingtai Zhou ,&nbsp;Zhenmin Luo ,&nbsp;Shijie Xin ,&nbsp;Xiaokun Chen","doi":"10.1016/j.ijhydene.2025.05.231","DOIUrl":"10.1016/j.ijhydene.2025.05.231","url":null,"abstract":"<div><div>Hydrogen, a clean and efficient energy carrier, is becoming the core driving force for global energy transition and carbon emission reduction. This paper systematically reviews the research progress on the combustion reaction kinetics mechanisms of hydrogen and hydrogen-blended fuels (such as hydrogen-ammonia, hydrogen-methane, hydrogen-enriched syngas, and hydrogen-blended methanol). The focus is on analyzing these mechanisms' development, optimization, validation, and application. Through a comprehensive literature review, the optimal mechanism selections for different application scenarios have been identified: the Kéromnès mechanism exhibits the best overall performance for pure hydrogen combustion; the Stagni mechanism shows clear advantages in most environments for hydrogen-ammonia blended fuels; hydrogen-methane blended fuels demonstrate pressure-dependent characteristics, with GRI 3.0 performing best at low pressures (&lt;10 atm) and the San Diego mechanism showing advantages at high pressures (&gt;10 atm). The study reveals the limitations of existing mechanisms under high-pressure and high-temperature conditions, particularly in predicting intermediate product formation and pollutant emissions in complex operating conditions. Future research should focus on optimizing predictive capabilities under extreme conditions, improving reaction pathway identification, and enhancing the engineering practicality of mechanisms through multi-scale modelling approaches. This will provide theoretical support for applying hydrogen energy in the energy transition.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 359-379"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124161","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}
引用次数: 0
Facile fabrication of Y type hexaferrite Sr2Ni2Fe12O22 supported carbon dots nanocomposite for enhanced water oxidation Y型六铁体Sr2Ni2Fe12O22负载碳点纳米复合材料的制备
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.270
Safyan Akram Khan
{"title":"Facile fabrication of Y type hexaferrite Sr2Ni2Fe12O22 supported carbon dots nanocomposite for enhanced water oxidation","authors":"Safyan Akram Khan","doi":"10.1016/j.ijhydene.2025.05.270","DOIUrl":"10.1016/j.ijhydene.2025.05.270","url":null,"abstract":"<div><div>Water-splitting reactions, including the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER), commonly require expensive noble metal-based electrocatalysts. This has inspired researchers to create innovative, economical electrocatalytic systems. The present study boons the fabrication of a novel multicomponent nanocomposite, integrating Sr<sub>2</sub>Ni<sub>2</sub>Fe<sub>12</sub>O<sub>22</sub>Y-type hexaferrites (YF), and carbon dots (CDs) and abbreviated as (YF@CDs). The YF@CDs exhibits a high porosity, multiple electroactive sites, rapid charge transfer, outstanding stability, and conductivity confirmed via various analytical techniques. The fabricated materials demonstrated exceptional performance in OER, exhibiting long-term durability of up to 40 h on a glassy carbon electrode. At a current density of 10 mA cm<sup>−2</sup>, this dual-function electrocatalyst demonstrates exceptional performance, with moderate overpotential values of 285 mV and 112 mV for OER and HER, and low Tafel slopes of 73 and 97 mV dec<sup>−1</sup>, respectively. Furthermore, it also shows decent turnover frequency (TOF) values (0.727 s<sup>−1</sup>, and 0.563 s<sup>−1</sup> for OER and HER, respectively. It also has high mass activity value (574 mA mg<sup>−1</sup> for OER and 222.4 mA mg<sup>−1</sup> for HER). Furthermore, the resultant catalyst also shows high electrochemical active surface area (ECSA) of 2750 cm<sup>2</sup>. Thus, this enhanced activity is due the good morphology, and large surface area of the nanocomposite material. This study presents a novel vision to investigate for the first time to indicate the boosted integrated performance between carbon-based materials along with YF. The unique features of individual component in this nanocomposite can be an interesting topic in the field of HER, OER, and many other electrochemical applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 268-279"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124229","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}
引用次数: 0
Preparation and application of a kW-level air-cooled PEMFC stack with titanium bipolar plates for UAVs kw级无人机用钛双极板风冷PEMFC堆的制备与应用
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.199
Ye Li , Yang Liu , Liuyuan Han , Qi Liang , Nianfang Wan , Zhen Guo
{"title":"Preparation and application of a kW-level air-cooled PEMFC stack with titanium bipolar plates for UAVs","authors":"Ye Li ,&nbsp;Yang Liu ,&nbsp;Liuyuan Han ,&nbsp;Qi Liang ,&nbsp;Nianfang Wan ,&nbsp;Zhen Guo","doi":"10.1016/j.ijhydene.2025.05.199","DOIUrl":"10.1016/j.ijhydene.2025.05.199","url":null,"abstract":"<div><div>Proton exchange membrane fuel cells, as high-energy-density and low-emission energy devices, are considered as an important electrochemical reactor for converting chemical fuel to electricity. In this study, a kW-level air-cooled proton exchange membrane fuel cells stack with titanium bipolar plates was prepared and used in unmanned aerial vehicle application. The ground test showed that the stack output power achieved approximately 1.4 kW @ 40 V after three activation process. The loading test and loading-shedding test proved that the stack has a fast recovery ability to handle loading fluctuations. The single cell voltage uniformity at 0.06 MPa hydrogen inlet pressure is better than that of 0.08 MPa. After the ground test, we also conducted unmanned aerial vehicles flight tests, and the results indicated that, with the hydrogen gas supplied by 5 L 35 MPa cylinder, we achieved the endurance of 74 min with an average output power of 1318 W, and the hydrogen utilization rate was about 39.6 %. This research may provide a technical support and practical reference for the design of a kW-level fuel cell stack in unmanned aerial vehicle applications.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 396-402"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124251","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}
引用次数: 0
New insights into hydrogen sorption mechanism in shale nanocomposites and the role of cushion gas in geological hydrogen storage 页岩纳米复合材料吸氢机理及垫层气在地质储氢中的作用新认识
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.256
Qiujie Chen , Liang Huang , Zhenyao Xu , Zishuo Qu , Xinni Feng , Runfeng Zhang , Qin Yang , Lu Wang , Zhengfu Ning , Bei Liu , Haiyan Zhu , Lei Wang
{"title":"New insights into hydrogen sorption mechanism in shale nanocomposites and the role of cushion gas in geological hydrogen storage","authors":"Qiujie Chen ,&nbsp;Liang Huang ,&nbsp;Zhenyao Xu ,&nbsp;Zishuo Qu ,&nbsp;Xinni Feng ,&nbsp;Runfeng Zhang ,&nbsp;Qin Yang ,&nbsp;Lu Wang ,&nbsp;Zhengfu Ning ,&nbsp;Bei Liu ,&nbsp;Haiyan Zhu ,&nbsp;Lei Wang","doi":"10.1016/j.ijhydene.2025.05.256","DOIUrl":"10.1016/j.ijhydene.2025.05.256","url":null,"abstract":"<div><div>Depleted shale gas reservoirs represent a promising site for large-scale underground H<sub>2</sub> storage. However, the mechanism of H<sub>2</sub> sorption in the nanopores of depleted shale gas reservoirs and the influence of cushion gas on H<sub>2</sub> sorption remain unclear. In this study, a molecular model of the composite nanopore was constructed to consider the competitive interactions between different shale rock constituents. The grand canonical Monte Carlo method was utilized to investigate the sorption behaviors of pure H<sub>2</sub> as well as H<sub>2</sub>–CH<sub>4</sub> and H<sub>2</sub>–CO<sub>2</sub> mixtures. The microscopic mechanism governing pure H<sub>2</sub> sorption in the shale nanocomposite was elucidated, and the influence of CH<sub>4</sub> and CO<sub>2</sub> as cushion gases on H<sub>2</sub> sorption was elaborated. The results show that despite the relatively low sorption strength of H<sub>2</sub>, the absolute sorption amount of H<sub>2</sub> is significant due to its small molecular size, linear shape, and large adsorption layer thickness. The presence of CH<sub>4</sub>/CO<sub>2</sub> facilitates the formation of a transition adsorption layer for H<sub>2</sub>, which inhibit H<sub>2</sub> adsorption on the shale pore surfaces. CO<sub>2</sub> can markedly reduce the H<sub>2</sub> sorption amount in the kerogen matrix and on the quartz surface, exhibiting a more pronounced impact on H<sub>2</sub> sorption than that of CH<sub>4</sub>. CH<sub>4</sub> as a cushion gas is more conducive to H<sub>2</sub> storage in deep shale reservoirs, while CO<sub>2</sub> is more appropriate for H<sub>2</sub> storage in shallow shale reservoirs. A high concentration of cushion gas can reduce the preferential sorption capacity of CH<sub>4</sub>/CO<sub>2</sub> over H<sub>2</sub>, while also reducing the purity of the recovered H<sub>2</sub>, thus hindering the H<sub>2</sub> storage performance of shale gas reservoirs. This study advances the understanding of the role of cushion gas in H<sub>2</sub> geological storage and further refines the theory for H<sub>2</sub> storage in depleted shale gas reservoirs.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 220-236"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124160","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}
引用次数: 0
Exploring high-capacity hydrogen storage in Be/Li-decorated boron-substituted C20 nanocages: A first-principles study 在Be/ li修饰的硼取代C20纳米笼中探索高容量储氢:第一性原理研究
IF 8.1 2区 工程技术
International Journal of Hydrogen Energy Pub Date : 2025-05-24 DOI: 10.1016/j.ijhydene.2025.05.214
Shakti S. Ray , Abhinav Kumar , Majed Al-subah , Bhavesh Kanabar , N. Beemkumar , Kavitha V , Jajneswar Nanda , Sumit Kaushal , Bhavik Jain , Ankit Dilipkumar Oza
{"title":"Exploring high-capacity hydrogen storage in Be/Li-decorated boron-substituted C20 nanocages: A first-principles study","authors":"Shakti S. Ray ,&nbsp;Abhinav Kumar ,&nbsp;Majed Al-subah ,&nbsp;Bhavesh Kanabar ,&nbsp;N. Beemkumar ,&nbsp;Kavitha V ,&nbsp;Jajneswar Nanda ,&nbsp;Sumit Kaushal ,&nbsp;Bhavik Jain ,&nbsp;Ankit Dilipkumar Oza","doi":"10.1016/j.ijhydene.2025.05.214","DOIUrl":"10.1016/j.ijhydene.2025.05.214","url":null,"abstract":"<div><div>Herein, we present our investigation on the hydrogen storage in Be/Li decorated C<sub>12</sub>B<sub>8</sub> clusters using density functional theory study. Both the nanocages can accommodate maximum 16H<sub>2</sub> with an average adsorption energy of 0.21–0.11 eV/H<sub>2</sub> giving rise to a gravimetric density of 10.79 wt% crossing the target set by US-DOE. The structural stability of the systems was confirmed through maximum hardness (MHP) and minimum electrophilicity (MEP) principle. The nature of interaction between H<sub>2</sub> and Be/Li was found to be weak van der Waals interactions as characterized by quantum theory of atoms in molecules (QTAIM) analysis. Ab initio molecular dynamics (ADMP-MD) simulations further verified the structural integrity of the system and demonstrated effective hydrogen desorption at 300 K. The system exhibits an impressive hydrogen storage capacity highlighting its potential as a next-generation high-capacity hydrogen storage material.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"139 ","pages":"Pages 179-188"},"PeriodicalIF":8.1,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144124230","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}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信