首页 > 最新文献

International Journal of Hydrogen Energy最新文献

英文 中文
Guanidinium-based cross-linked fluorinated polybenzimidazole proton exchange membranes with enhanced performance for fuel cell applications 用于燃料电池性能增强的胍基交联氟化多苯并咪唑质子交换膜
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153500
Kai Huang, Jiayuan Ji, Yuyang Han, Heng Wang, Fuqiang Chu, Bencai Lin
Commercial proton exchange membranes such as Nafion cannot be used in high-temperature proton exchange membrane fuel cells (HT-PEMFCs) due to decreased conductivity resulting from water loss at elevated temperatures, which limits the development of HT-PEMFCs. In this work, a fluorine-containing polybenzimidazole (6FPBI) was prepared through polycondensation of 3,3′,4,4′-dicarboxylic acid diphenyl ether (OBBA) and 2, 2-bis(4-carboxyphenyl)hexafluoropropane (6FDA). An ionic liquid, 2-bromobutyl-1,1,3,3-tetramethylguanidinium bromide ([2(BrBu)TMG]Br), was designed and employed as a cross-linker to produce cross-linked 6FPBI-based high-temperature proton exchange membranes (HT-PEMs, designated as 6FPBI-X). The resulting 6FPBI-X membranes displayed favorable thermal stability, enhanced oxidative resistance, and superior mechanical performance. The strong ion-pair interactions of guanidinium cations and dihydrogen phosphate anions contributed to the stabilization of acid retention, and these membranes maintained excellent phosphoric acid retention (>89 %). Although the acid uptake capacity showed only moderate increase, the 6FPBI-30 % membrane achieved markedly higher proton conductivity (0.082 S cm−1) and peak power density (551 mW cm−2) in a single fuel cell compared to the pristine 6FPBI (0.056 S cm−1 and 411 mW cm−2). Furthermore, the acid-doped 6FPBI-X membrane showed the tensile strength higher than 8 MPa. This study highlights the potential of 6FPBI-X membranes for HT-PEMFC applications and offers an effective strategy for designing high-performance HT-PEMs.
商用质子交换膜(如Nafion)不能用于高温质子交换膜燃料电池(ht - pemfc),因为高温下水分流失会降低导电性,这限制了高温质子交换膜燃料电池的发展。以3,3′,4,4′-二羧酸二苯基醚(OBBA)和2,2 -双(4-羧基苯基)六氟丙烷(6FDA)为原料缩聚制备了含氟聚苯并咪唑(6FPBI)。设计了离子液体2-溴丁基-1,1,3,3-四甲基溴化胍([2(BrBu)TMG]Br)作为交联剂,制备了交联6fpbi基高温质子交换膜(ht - pem,简称6FPBI-X)。得到的6FPBI-X膜具有良好的热稳定性,增强的抗氧化性和优异的机械性能。胍离子和磷酸二氢阴离子的强离子对相互作用有助于酸潴留的稳定,这些膜保持了良好的磷酸潴留(> 89%)。与原始的6FPBI膜(0.056 S cm−1和411 mW cm−2)相比,30%的6FPBI膜在单个燃料电池中的质子电导率(0.082 S cm−1)和峰值功率密度(551 mW cm−2)显著提高。此外,酸掺杂的6FPBI-X膜的拉伸强度高于8 MPa。该研究强调了6FPBI-X膜在HT-PEMFC应用中的潜力,并为设计高性能ht - pemm提供了有效的策略。
{"title":"Guanidinium-based cross-linked fluorinated polybenzimidazole proton exchange membranes with enhanced performance for fuel cell applications","authors":"Kai Huang,&nbsp;Jiayuan Ji,&nbsp;Yuyang Han,&nbsp;Heng Wang,&nbsp;Fuqiang Chu,&nbsp;Bencai Lin","doi":"10.1016/j.ijhydene.2026.153500","DOIUrl":"10.1016/j.ijhydene.2026.153500","url":null,"abstract":"<div><div>Commercial proton exchange membranes such as Nafion cannot be used in high-temperature proton exchange membrane fuel cells (HT-PEMFCs) due to decreased conductivity resulting from water loss at elevated temperatures, which limits the development of HT-PEMFCs. In this work, a fluorine-containing polybenzimidazole (6FPBI) was prepared through polycondensation of 3,3′,4,4′-dicarboxylic acid diphenyl ether (OBBA) and 2, 2-bis(4-carboxyphenyl)hexafluoropropane (6FDA). An ionic liquid, 2-bromobutyl-1,1,3,3-tetramethylguanidinium bromide ([2(BrBu)TMG]Br), was designed and employed as a cross-linker to produce cross-linked 6FPBI-based high-temperature proton exchange membranes (HT-PEMs, designated as 6FPBI-X). The resulting 6FPBI-X membranes displayed favorable thermal stability, enhanced oxidative resistance, and superior mechanical performance. The strong ion-pair interactions of guanidinium cations and dihydrogen phosphate anions contributed to the stabilization of acid retention, and these membranes maintained excellent phosphoric acid retention (&gt;89 %). Although the acid uptake capacity showed only moderate increase, the 6FPBI-30 % membrane achieved markedly higher proton conductivity (0.082 S cm<sup>−1</sup>) and peak power density (551 mW cm<sup>−2</sup>) in a single fuel cell compared to the pristine 6FPBI (0.056 S cm<sup>−1</sup> and 411 mW cm<sup>−2</sup>). Furthermore, the acid-doped 6FPBI-X membrane showed the tensile strength higher than 8 MPa. This study highlights the potential of 6FPBI-X membranes for HT-PEMFC applications and offers an effective strategy for designing high-performance HT-PEMs.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153500"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975788","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
Investigating the adsorption and transport behavior of hydrogen in underground hydrogen storage via molecular simulation 通过分子模拟研究氢在地下储氢库中的吸附和输运行为
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153541
Hai Wang , Erlong Yang , Chi Dong , Shengnan Chen , Bailong Liu , Junhui Bai , Ning Sun , Ming Qu , Yinsong Liu
This study investigates the adsorption and transport behavior of hydrogen within quartz-rich nanoporous media, relevant for underground hydrogen storage (UHS) in depleted shale reservoirs. Molecular Dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations were employed to investigate fluid-fluid and fluid-rock interactions in hydroxylated quartz slit pores. The simulation results revealed that hydrogen adsorption in dry quartz pores follows a Langmuir-type monolayer mechanism. The self-diffusion coefficient of hydrogen is on the order of 10−7 m2/s and increases sharply from ∼3.2 × 10−7 m2/s at 10 Å to ∼5.6 × 10−7 m2/s at 50 Å, then approaches a plateau above 80 Å, signifying a critical pore-size threshold for efficient hydrogen transport in UHS. Regarding the coexistence of hydrogen and water, moisture content demonstrates a non-monotonic impact on hydrogen mobility. Specifically, low hydration levels (∼1.5 wt%) reduces hydrogen diffusion by approximately 18.6 % compared to the dry case, an intermediate hydration level enhances it to ∼5.1 × 10−7 m2/s, while excessive water persistently suppresses diffusion via pore-volume occupation. Water dynamics transition from anomalous sub-diffusion to normal diffusion with increasing hydration, a phenomenon attributed to the connectivity of the adsorbed water network. In addition, carbon dioxide proves superior to methane as a cushion gas, as it significantly reduces hydrogen trapping retention and enhances the recovery purity of the working gas by maintaining a relatively high self-diffusivity ratio between the working and cushion gases at 30 mol%. Therefore, the results prescribe that UHS in quartz-rich reservoirs requires a dominant pore size >50 Å, an appropriate lower moisture level to form a continuum thin layer, and the use of carbon dioxide as a cushion gas to maximize storage and recovery efficiency.
本文研究了氢在富石英纳米多孔介质中的吸附和输运行为,这与枯竭页岩储层的地下储氢(UHS)有关。采用分子动力学(MD)和大正则蒙特卡罗(GCMC)模拟研究了羟基化石英狭缝孔隙中流体-流体和流体-岩石的相互作用。模拟结果表明,干燥石英孔隙中的氢吸附遵循langmuir型单层吸附机制。氢的自扩散系数约为10−7 m2/s,从10 Å时的~ 3.2 × 10−7 m2/s急剧增加到50 Å时的~ 5.6 × 10−7 m2/s,然后接近80 Å以上的平台,这表明在UHS中有效传输氢的临界孔径阈值。对于氢和水的共存,水分含量对氢迁移率表现出非单调的影响。具体来说,与干燥情况相比,低水化水平(~ 1.5 wt%)使氢扩散减少了约18.6%,中等水化水平将其增强到~ 5.1 × 10−7 m2/s,而过量的水通过孔隙体积占用持续抑制扩散。随着水化作用的增加,水动力学从异常亚扩散向正常扩散转变,这一现象归因于吸附水网络的连通性。此外,二氧化碳作为缓冲气体优于甲烷,因为它可以显著减少氢捕获的保留,并通过保持工作气体和缓冲气体之间相对较高的自扩散率(30 mol%)来提高工作气体的回收纯度。因此,研究结果表明,在富含石英的储层中,UHS需要主导孔径>;50 Å,适当的较低含水率以形成连续的薄层,并使用二氧化碳作为缓冲气体以最大限度地提高储采效率。
{"title":"Investigating the adsorption and transport behavior of hydrogen in underground hydrogen storage via molecular simulation","authors":"Hai Wang ,&nbsp;Erlong Yang ,&nbsp;Chi Dong ,&nbsp;Shengnan Chen ,&nbsp;Bailong Liu ,&nbsp;Junhui Bai ,&nbsp;Ning Sun ,&nbsp;Ming Qu ,&nbsp;Yinsong Liu","doi":"10.1016/j.ijhydene.2026.153541","DOIUrl":"10.1016/j.ijhydene.2026.153541","url":null,"abstract":"<div><div>This study investigates the adsorption and transport behavior of hydrogen within quartz-rich nanoporous media, relevant for underground hydrogen storage (UHS) in depleted shale reservoirs. Molecular Dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations were employed to investigate fluid-fluid and fluid-rock interactions in hydroxylated quartz slit pores. The simulation results revealed that hydrogen adsorption in dry quartz pores follows a Langmuir-type monolayer mechanism. The self-diffusion coefficient of hydrogen is on the order of 10<sup>−7</sup> m<sup>2</sup>/s and increases sharply from ∼3.2 × 10<sup>−7</sup> m<sup>2</sup>/s at 10 Å to ∼5.6 × 10<sup>−7</sup> m<sup>2</sup>/s at 50 Å, then approaches a plateau above 80 Å, signifying a critical pore-size threshold for efficient hydrogen transport in UHS. Regarding the coexistence of hydrogen and water, moisture content demonstrates a non-monotonic impact on hydrogen mobility. Specifically, low hydration levels (∼1.5 wt%) reduces hydrogen diffusion by approximately 18.6 % compared to the dry case, an intermediate hydration level enhances it to ∼5.1 × 10<sup>−7</sup> m<sup>2</sup>/s, while excessive water persistently suppresses diffusion via pore-volume occupation. Water dynamics transition from anomalous sub-diffusion to normal diffusion with increasing hydration, a phenomenon attributed to the connectivity of the adsorbed water network. In addition, carbon dioxide proves superior to methane as a cushion gas, as it significantly reduces hydrogen trapping retention and enhances the recovery purity of the working gas by maintaining a relatively high self-diffusivity ratio between the working and cushion gases at 30 mol%. Therefore, the results prescribe that UHS in quartz-rich reservoirs requires a dominant pore size &gt;50 Å, an appropriate lower moisture level to form a continuum thin layer, and the use of carbon dioxide as a cushion gas to maximize storage and recovery efficiency.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153541"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975743","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
Mesophilic and thermophilic acidogenic fermentation of process water from food waste hydrothermal carbonization 食物垃圾热液炭化工艺用水的中温和嗜热产酸发酵
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153494
M.P. Diez , M.A. de la Rubia , A.F. Mohedano , E. Diaz
The process water from hydrothermal carbonization of food waste (180 °C, 1 h), characterized by a high organic matter content, represents a suitable substrate for acidogenic fermentation which was optimized by evaluating four inocula, under mesophilic and thermophilic batch conditions. The highest hydrogen yield (44.4 mL H2/gCOD) was achieved with a thermophilically adapted mixed sludge at pH 5.5, where Prevotellaceae, Bacteroidaceae, Lachnospiraceae and Coprothermobacteracea were dominant. This inoculum was used under thermophilic continuous operation, where pH (4.8 and 5.5), hydraulic retention time (HRT; 3.5 and 5.0 d) and organic loading rate (OLR; 2.5, 5.0 and 7.5 gCOD/L·d) were evaluated. Optimal performance was achieved at pH 5.5, HRT 5 d, and OLR 5 gCOD/L·d, reaching ∼57 mL H2/gCOD and ∼7800 mg/L of volatile fatty acids. This operating condition selectively enriched hydrogen-producing bacteria (Thermoanaerobacterales III, Clostridiaceae) promoting lactate-driven metabolic routes conducted by Lactobacillaceae, thereby emphasizing the functional microbial consortia underlying process performance.
食物垃圾热液碳化水(180°C, 1 h)具有有机物含量高的特点,是一种适宜的产酸发酵底物,通过对四种接种剂的评价,在嗜温和嗜热的批处理条件下进行了优化。在pH为5.5的嗜热混合污泥中,Prevotellaceae、Bacteroidaceae、Lachnospiraceae和Coprothermobacteracea占主导地位,产氢量最高(44.4 mL H2/gCOD)。该接种液在嗜热连续操作下使用,评估pH值(4.8和5.5)、水力滞留时间(HRT; 3.5和5.0 d)和有机负载率(OLR; 2.5、5.0和7.5 gCOD/L·d)。在pH为5.5、HRT为5 d、OLR为5 gCOD/L·d的条件下达到最佳性能,H2/gCOD为~ 57 mL,挥发性脂肪酸为~ 7800 mg/L。这种操作条件选择性地富集产氢细菌(热厌氧杆菌III, Clostridiaceae),促进乳酸杆菌科进行乳酸驱动的代谢途径,从而强调了工艺性能的功能性微生物群落。
{"title":"Mesophilic and thermophilic acidogenic fermentation of process water from food waste hydrothermal carbonization","authors":"M.P. Diez ,&nbsp;M.A. de la Rubia ,&nbsp;A.F. Mohedano ,&nbsp;E. Diaz","doi":"10.1016/j.ijhydene.2026.153494","DOIUrl":"10.1016/j.ijhydene.2026.153494","url":null,"abstract":"<div><div>The process water from hydrothermal carbonization of food waste (180 °C, 1 h), characterized by a high organic matter content, represents a suitable substrate for acidogenic fermentation which was optimized by evaluating four inocula, under mesophilic and thermophilic batch conditions. The highest hydrogen yield (44.4 mL H<sub>2</sub>/g<sub>COD</sub>) was achieved with a thermophilically adapted mixed sludge at pH 5.5, where <em>Prevotellaceae, Bacteroidaceae, Lachnospiraceae</em> and <em>Coprothermobacteracea</em> were dominant. This inoculum was used under thermophilic continuous operation, where pH (4.8 and 5.5), hydraulic retention time (HRT; 3.5 and 5.0 d) and organic loading rate (OLR; 2.5, 5.0 and 7.5 g<sub>COD</sub>/L·d) were evaluated. Optimal performance was achieved at pH 5.5, HRT 5 d, and OLR 5 g<sub>COD</sub>/L·d, reaching ∼57 mL H<sub>2</sub>/g<sub>COD</sub> and ∼7800 mg/L of volatile fatty acids. This operating condition selectively enriched hydrogen-producing bacteria (<em>Thermoanaerobacterales III</em>, <em>Clostridiaceae</em>) promoting lactate-driven metabolic routes conducted by <em>Lactobacillaceae</em>, thereby emphasizing the functional microbial consortia underlying process performance.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153494"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975792","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
Axial ligand engineering of FeN3O single-atom catalysts for enhanced trifunctional HER, OER, and ORR performance: A combined DFT and SISSO study fen30o单原子催化剂轴向配体工程对增强三官能团HER、OER和ORR性能的影响:DFT和SISSO联合研究
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153518
Linlin Zhang , Yanning Wang , Kai Xiong
The development of cost-effective and durable trifunctional electrocatalysts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) is critical for integrated renewable energy conversion devices. Here, we employ FeN3O single-atom catalysts (SACs) with systematically tuned axial ligands (X = H2O, OH, O2, O, S, F, Cl, Br, I, H, N, CN, CH3, NO, NO2, SCN, SH, NH3, NH2, P, B, C, COOH) to regulate the Fe 3d electronic structure and intermediate adsorption. Density functional theory (DFT) calculations reveal that axial coordination modulates Fe 3d–ligand 2p hybridization, breaks orbital degeneracy, and optimizes adsorption free energies (ΔGH, ΔG∗OH) toward thermodynamic optima. Among all candidates, FeN3O–CH3 achieves the lowest average overpotential across the three reactions (ηHER = 0.18 V, ηOER = 0.37 V, ηORR = 0.31 V; η_avg = 0.29 V), outperforming commercial Pt and RuO2 benchmarks. Electronic structure analysis shows that ligand-induced orbital splitting, enhanced dxz/dyz–OH 2p hybridization, and tailored charge redistribution collectively tune OH adsorption to the ideal range, boosting both OER and ORR. Scaling relations identify ΔG∗OH as a reliable bifunctional descriptor, and a SISSO-derived machine learning model accurately predicts ΔG∗H (R2 = 0.94) and ΔG∗OH (R2 = 0.91) from geometric–electronic descriptors, enabling rapid screening of high-performance SACs. This work establishes axial ligand engineering as an effective strategy for designing multifunctional, non-noble-metal electrocatalysts.
为析氢反应(HER)、析氧反应(OER)和氧还原反应(ORR)开发经济耐用的三功能电催化剂是集成可再生能源转换装置的关键。本研究采用轴向配体(X = H2O、OH、O2、O、S、F、Cl、Br、I、H、N、CN、CH3、NO、NO2、SCN、SH、NH3、NH2、P、B、C、COOH)的fen30o单原子催化剂(SACs)调节Fe的三维电子结构和中间吸附。密度泛函理论(DFT)计算表明,轴向配位调节了Fe三维配体的2p杂化,打破了轨道简并,并使吸附自由能(ΔG∗H, ΔG∗OH)朝着热力学最优方向优化。在所有候选化合物中,fen30 - ch3的平均过电位最低(ηHER = 0.18 V, ηOER = 0.37 V, ηORR = 0.31 V, η_avg = 0.29 V),优于商业Pt和RuO2基准。电子结构分析表明,配体诱导的轨道分裂、增强的dxz/ dyz-OH 2p杂化和定制的电荷重分配共同使OH吸附达到理想范围,提高了OER和ORR。缩放关系将ΔG∗OH识别为可靠的双功能描述符,并且sisso派生的机器学习模型准确地预测几何电子描述符中的ΔG∗H (R2 = 0.94)和ΔG∗OH (R2 = 0.91),从而能够快速筛选高性能sac。本研究建立了轴向配体工程作为设计多功能非贵金属电催化剂的有效策略。
{"title":"Axial ligand engineering of FeN3O single-atom catalysts for enhanced trifunctional HER, OER, and ORR performance: A combined DFT and SISSO study","authors":"Linlin Zhang ,&nbsp;Yanning Wang ,&nbsp;Kai Xiong","doi":"10.1016/j.ijhydene.2026.153518","DOIUrl":"10.1016/j.ijhydene.2026.153518","url":null,"abstract":"<div><div>The development of cost-effective and durable trifunctional electrocatalysts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) is critical for integrated renewable energy conversion devices. Here, we employ FeN<sub>3</sub>O single-atom catalysts (SACs) with systematically tuned axial ligands (X = H<sub>2</sub>O, OH, O<sub>2</sub>, O, S, F, Cl, Br, I, H, N, CN, CH<sub>3</sub>, NO, NO<sub>2</sub>, SCN, SH, NH<sub>3</sub>, NH<sub>2</sub>, P, B, C, COOH) to regulate the Fe 3d electronic structure and intermediate adsorption. Density functional theory (DFT) calculations reveal that axial coordination modulates Fe 3d–ligand 2p hybridization, breaks orbital degeneracy, and optimizes adsorption free energies (ΔG<sub><em>∗</em>H</sub><em>,</em> ΔG<sub>∗OH</sub>) toward thermodynamic optima. Among all candidates, FeN<sub>3</sub>O–CH<sub>3</sub> achieves the lowest average overpotential across the three reactions (η<sup>HER</sup> = 0.18 V, η<sup>OER</sup> = 0.37 V, η<sup>ORR</sup> = 0.31 V; η_avg = 0.29 V), outperforming commercial Pt and RuO<sub>2</sub> benchmarks. Electronic structure analysis shows that ligand-induced orbital splitting, enhanced d<sub>xz</sub>/d<sub>yz</sub>–OH 2p hybridization, and tailored charge redistribution collectively tune OH adsorption to the ideal range, boosting both OER and ORR. Scaling relations identify ΔG<sub>∗OH</sub> as a reliable bifunctional descriptor, and a SISSO-derived machine learning model accurately predicts ΔG<sub>∗H</sub> (R<sup>2</sup> = 0.94) and ΔG<sub>∗OH</sub> (R<sup>2</sup> = 0.91) from geometric–electronic descriptors, enabling rapid screening of high-performance SACs. This work establishes axial ligand engineering as an effective strategy for designing multifunctional, non-noble-metal electrocatalysts.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153518"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975793","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
Model-based membrane materials selection for sustainable hydrogen production from hydrocarbons 基于模型的膜材料选择,用于可持续的碳氢化合物制氢
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153527
Jimoh K. Adewole , Mujeeb B. Adetayo , Asma S.K. AL Kharusi , Habeebllah B. Oladipo , Faruq B. Owoyale
Polymeric membranes offer cost-effective and energy-efficient advantage for hydrogen separation from syngas and hydrocarbon (HC) feedstock. However, high H2 purity requirements coupled with the different membrane performance property interrelationships often make effective material selection difficult. To solve this problem, the model-based multi-objective optimization (MOO) approach has been used to analyze five different membranes sourced from literature. MOO is a function of performance index (PI) which is based on weighting factors (W) allocated to membrane properties depending on their degree of importance. In addition to inbound membrane properties of permeability, selectivity, a new performance property of CO2 inhibition has been proposed and investigated in this study. The results show that the MOO method allows an unbiased comparison and selection of membranes based on desired performance properties. It also shows that membrane ranking, in some cases, could be independent of allocated weights as observed for PLA and PEI membranes.
聚合物膜为从合成气和碳氢化合物(HC)原料中分离氢提供了成本效益和节能优势。然而,高H2纯度要求加上不同的膜性能之间的相互关系往往使有效的材料选择困难。为了解决这一问题,采用基于模型的多目标优化(MOO)方法对文献中五种不同的膜进行了分析。MOO是性能指数(PI)的函数,PI是基于根据其重要性分配给膜性能的权重因子(W)。除了入膜的渗透性、选择性外,本研究还提出并研究了一种新的CO2抑制性能。结果表明,MOO方法可以根据所需的性能对膜进行无偏比较和选择。它还表明,在某些情况下,膜的排名可以独立于分配的权重,如PLA和PEI膜所观察到的。
{"title":"Model-based membrane materials selection for sustainable hydrogen production from hydrocarbons","authors":"Jimoh K. Adewole ,&nbsp;Mujeeb B. Adetayo ,&nbsp;Asma S.K. AL Kharusi ,&nbsp;Habeebllah B. Oladipo ,&nbsp;Faruq B. Owoyale","doi":"10.1016/j.ijhydene.2026.153527","DOIUrl":"10.1016/j.ijhydene.2026.153527","url":null,"abstract":"<div><div>Polymeric membranes offer cost-effective and energy-efficient advantage for hydrogen separation from syngas and hydrocarbon (HC) feedstock. However, high H<sub>2</sub> purity requirements coupled with the different membrane performance property interrelationships often make effective material selection difficult. To solve this problem, the model-based multi-objective optimization (MOO) approach has been used to analyze five different membranes sourced from literature. MOO is a function of performance index (PI) which is based on weighting factors (W) allocated to membrane properties depending on their degree of importance. In addition to inbound membrane properties of permeability, selectivity, a new performance property of CO<sub>2</sub> inhibition has been proposed and investigated in this study. The results show that the MOO method allows an unbiased comparison and selection of membranes based on desired performance properties. It also shows that membrane ranking, in some cases, could be independent of allocated weights as observed for PLA and PEI membranes.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153527"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975789","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
On-road driving performance analysis of a fuel cell-hybrid electric scooter integrated with metal hydride hydrogen storage system 集成金属氢化物储氢系统的燃料电池混合动力滑板车道路行驶性能分析
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-15 DOI: 10.1016/j.ijhydene.2026.153511
Nandlal Gupta, Saurabh Tiwari, Shrihari D. Gaikwad, Pratibha Sharma
The present study investigates real-time on-road driving performance analysis of a fuel cell-hybrid electric scooter integrated with a metal hydride (MH)-based hydrogen storage canister considering the influence of thermal management strategies. The powertrain comprises a MH canister, 1 kW PEM fuel cell stack, 48V-10Ah Li-ion battery, 1.5 kW BLDC hub motor, DC-DC Converter, and Vehicle Control Unit. The control architecture employs fuel cell as a primary power source whereas peak or deficit power is met by Li-ion battery. The driving performance was tested under three different operational modes: fuel cell-only, hybrid, and hybrid with thermal integration between the fuel cell and MH canister. The results demonstrate that the proposed thermal integration strategy improves onboard energy utilization, driving time and range by more than 2.5 times, with minimal energy expense of only 1 % of total stored energy. This study provides critical insights on optimizing and utilizing MH systems for light-duty vehicles.
本研究考虑热管理策略的影响,对集成金属氢化物(MH)储氢罐的燃料电池混合动力滑板车进行了实时道路行驶性能分析。动力系统包括一个MH罐,1千瓦PEM燃料电池堆,48V-10Ah锂离子电池,1.5千瓦BLDC轮毂电机,DC-DC转换器和车辆控制单元。控制结构采用燃料电池作为主要电源,而峰值或亏缺功率由锂离子电池满足。测试了三种不同的运行模式下的驾驶性能:纯燃料电池、混合动力以及燃料电池与MH罐热集成的混合动力。结果表明,所提出的热集成策略将车载能源利用率、行驶时间和行驶里程提高了2.5倍以上,而能量消耗仅为总存储能量的1%。本研究为优化和利用轻型车辆MH系统提供了重要的见解。
{"title":"On-road driving performance analysis of a fuel cell-hybrid electric scooter integrated with metal hydride hydrogen storage system","authors":"Nandlal Gupta,&nbsp;Saurabh Tiwari,&nbsp;Shrihari D. Gaikwad,&nbsp;Pratibha Sharma","doi":"10.1016/j.ijhydene.2026.153511","DOIUrl":"10.1016/j.ijhydene.2026.153511","url":null,"abstract":"<div><div>The present study investigates real-time on-road driving performance analysis of a fuel cell-hybrid electric scooter integrated with a metal hydride (MH)-based hydrogen storage canister considering the influence of thermal management strategies. The powertrain comprises a MH canister, 1 kW PEM fuel cell stack, 48V-10Ah Li-ion battery, 1.5 kW BLDC hub motor, DC-DC Converter, and Vehicle Control Unit. The control architecture employs fuel cell as a primary power source whereas peak or deficit power is met by Li-ion battery. The driving performance was tested under three different operational modes: fuel cell-only, hybrid, and hybrid with thermal integration between the fuel cell and MH canister. The results demonstrate that the proposed thermal integration strategy improves onboard energy utilization, driving time and range by more than 2.5 times, with minimal energy expense of only 1 % of total stored energy. This study provides critical insights on optimizing and utilizing MH systems for light-duty vehicles.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153511"},"PeriodicalIF":8.3,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975738","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
Synergistic optimization of multi-agent electro-hydrogen-carbon integrated energy systems: Carbon circularity and economic-environmental co-optimization 多主体电-氢-碳集成能源系统的协同优化:碳循环与经济-环境协同优化
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.ijhydene.2026.153380
Yunfei Han , Xilong Yao , Lin Liu , Xiaoyan Qi
Deep synergy among diverse stakeholders and energy vectors is needed to address the volatility and uncertainty in high-penetration renewable energy systems. This study proposes a novel multi-agent electro-hydrogen-carbon system featuring deeply coupled renewable energy systems (RES), combined cooling heating and power systems (CCHP), hydrogen energy systems (HES), and a load aggregator (LA). This system establishes carbon-recycling-driven multi-energy closed loops via the CCHP's carbon dioxide (CO2) capture and the HES-supplied synthetic methane production. We design an asymmetric bargaining model to quantify agent heterogeneity. It incorporates energy contribution mapping functions and dynamic bargaining factors. This resolves benefit homogenization in standard Nash bargaining. Integrated fuzzy chance-constrained programming addresses renewable and demand uncertainties. Empirical results show that the framework significantly improves overall profitability, allocates benefits fairly, and maintains high renewable utilization (>95 %), and reduces net carbon emissions. It reveals the distinct impacts of source-load uncertainties and identifies external price signals as key drivers of a low-carbon transition. The framework provides an integrated solution offering multi-energy complementarity, equitable allocation, and operational resilience.
需要不同利益相关者和能源载体之间的深度协同作用,以解决高渗透可再生能源系统的波动性和不确定性。本研究提出了一种新型的多智能体电-氢-碳系统,包括深度耦合可再生能源系统(RES)、冷热电联产系统(CCHP)、氢能系统(HES)和负荷聚合器(LA)。该系统通过CCHP的二氧化碳捕获和hes提供的合成甲烷生产建立了碳循环驱动的多能闭环。我们设计了一个非对称议价模型来量化代理的异质性。它结合了能量贡献映射函数和动态议价因子。这就解决了标准纳什议价中的利益同质化问题。综合模糊机会约束规划解决了可再生能源和需求的不确定性。实证结果表明,该框架显著提高了整体盈利能力,公平分配收益,保持了较高的可再生能源利用率(95%),并减少了净碳排放。它揭示了能源负荷不确定性的明显影响,并确定了外部价格信号是低碳转型的关键驱动因素。该框架提供了一个综合解决方案,提供了多种能源的互补性、公平分配和运行弹性。
{"title":"Synergistic optimization of multi-agent electro-hydrogen-carbon integrated energy systems: Carbon circularity and economic-environmental co-optimization","authors":"Yunfei Han ,&nbsp;Xilong Yao ,&nbsp;Lin Liu ,&nbsp;Xiaoyan Qi","doi":"10.1016/j.ijhydene.2026.153380","DOIUrl":"10.1016/j.ijhydene.2026.153380","url":null,"abstract":"<div><div>Deep synergy among diverse stakeholders and energy vectors is needed to address the volatility and uncertainty in high-penetration renewable energy systems. This study proposes a novel multi-agent electro-hydrogen-carbon system featuring deeply coupled renewable energy systems (RES), combined cooling heating and power systems (CCHP), hydrogen energy systems (HES), and a load aggregator (LA). This system establishes carbon-recycling-driven multi-energy closed loops via the CCHP's carbon dioxide (CO<sub>2</sub>) capture and the HES-supplied synthetic methane production. We design an asymmetric bargaining model to quantify agent heterogeneity. It incorporates energy contribution mapping functions and dynamic bargaining factors. This resolves benefit homogenization in standard Nash bargaining. Integrated fuzzy chance-constrained programming addresses renewable and demand uncertainties. Empirical results show that the framework significantly improves overall profitability, allocates benefits fairly, and maintains high renewable utilization (&gt;95 %), and reduces net carbon emissions. It reveals the distinct impacts of source-load uncertainties and identifies external price signals as key drivers of a low-carbon transition. The framework provides an integrated solution offering multi-energy complementarity, equitable allocation, and operational resilience.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153380"},"PeriodicalIF":8.3,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975119","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
Tuning the electrocatalytic activity and durability of perovskite type La0.5Ba0.5CoO3-δ electrode by Pr doping Pr掺杂调节钙钛矿型La0.5Ba0.5CoO3-δ电极的电催化活性和耐久性
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.ijhydene.2026.153439
Chengcheng Xu , Yao Luo , Tong Liu , Jietao Wang , Kai Ma , Jiayao Mao , Yi Wu , Haodong Ding , Rongsheng Chen , Yao Wang , Mingyue Ding
This work presents a systematic investigation of Pr-doped La0.5−xPrxBa0.5CoO3−δ (x = 0.05, 0.15, 0.25) cathodes, aiming to establish a structure–defect–electrochemistry correlation for developing high-performance solid oxide fuel cell (SOFC) electrodes. Moderate Pr incorporation (x = 0.15) stabilizes the cubic perovskite structure and optimizes the balance between oxygen-vacancy concentration, Co–O hybridization and lattice distortion. As a result, La0.35Pr0.15Ba0.5CoO3−δ (La35Pr15) exhibits enhanced electrical conductivity of 320 S cm−1 at 800 °C and a low polarization resistance of 0.05 Ω cm2 at 700 °C. The corresponding single cell delivers an excellent peak power density of 1.012 W cm−2 at 800 °C together with outstanding durability. Distribution of relaxation times analysis further reveals that Pr doping significantly accelerates both the intermediate-frequency oxygen surface-exchange process and the high-frequency charge-transfer kinetics, with La35Pr15 showing the strongest pO2 responsiveness. This study demonstrates that rational Pr doping provides an effective strategy to simultaneously enhance structural stability and reaction kinetics, offering valuable insights for the design of next-generation SOFC cathodes.
本文对掺pr的La0.5−xPrxBa0.5CoO3−δ (x = 0.05, 0.15, 0.25)阴极进行了系统的研究,旨在为开发高性能固体氧化物燃料电池(SOFC)电极建立结构-缺陷-电化学相关性。适度的Pr掺入(x = 0.15)稳定了立方钙钛矿结构,优化了氧空位浓度、Co-O杂化和晶格畸变之间的平衡。结果表明,La0.35Pr0.15Ba0.5CoO3−δ (La35Pr15)在800℃时电导率提高至320 S cm−1,在700℃时极化电阻降低至0.05 Ω cm2。相应的单电池在800°C下提供了1.012 W cm−2的峰值功率密度,并且具有出色的耐用性。弛豫时间分布分析进一步表明,Pr掺杂显著加速了中频氧表面交换过程和高频电荷转移动力学,其中La35Pr15对pO2的响应性最强。该研究表明,合理的Pr掺杂为同时提高结构稳定性和反应动力学提供了有效的策略,为下一代SOFC阴极的设计提供了有价值的见解。
{"title":"Tuning the electrocatalytic activity and durability of perovskite type La0.5Ba0.5CoO3-δ electrode by Pr doping","authors":"Chengcheng Xu ,&nbsp;Yao Luo ,&nbsp;Tong Liu ,&nbsp;Jietao Wang ,&nbsp;Kai Ma ,&nbsp;Jiayao Mao ,&nbsp;Yi Wu ,&nbsp;Haodong Ding ,&nbsp;Rongsheng Chen ,&nbsp;Yao Wang ,&nbsp;Mingyue Ding","doi":"10.1016/j.ijhydene.2026.153439","DOIUrl":"10.1016/j.ijhydene.2026.153439","url":null,"abstract":"<div><div>This work presents a systematic investigation of Pr-doped La<sub>0.5−x</sub>Pr<sub>x</sub>Ba<sub>0.5</sub>CoO<sub>3−δ</sub> (x = 0.05, 0.15, 0.25) cathodes, aiming to establish a structure–defect–electrochemistry correlation for developing high-performance solid oxide fuel cell (SOFC) electrodes. Moderate Pr incorporation (x = 0.15) stabilizes the cubic perovskite structure and optimizes the balance between oxygen-vacancy concentration, Co–O hybridization and lattice distortion. As a result, La<sub>0.35</sub>Pr<sub>0.15</sub>Ba<sub>0.5</sub>CoO<sub>3−δ</sub> (La35Pr15) exhibits enhanced electrical conductivity of 320 S cm<sup>−1</sup> at 800 °C and a low polarization resistance of 0.05 Ω cm<sup>2</sup> at 700 °C. The corresponding single cell delivers an excellent peak power density of 1.012 W cm<sup>−2</sup> at 800 °C together with outstanding durability. Distribution of relaxation times analysis further reveals that Pr doping significantly accelerates both the intermediate-frequency oxygen surface-exchange process and the high-frequency charge-transfer kinetics, with La35Pr15 showing the strongest pO<sub>2</sub> responsiveness. This study demonstrates that rational Pr doping provides an effective strategy to simultaneously enhance structural stability and reaction kinetics, offering valuable insights for the design of next-generation SOFC cathodes.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153439"},"PeriodicalIF":8.3,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975742","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
Porous NiFeCoMo alloy as highly efficient electrocatalyst for alkaline hydrogen evolution reaction 多孔NiFeCoMo合金作为碱性析氢反应的高效电催化剂
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.ijhydene.2026.153495
Tingle Wu, Xinli Liu, Bohua Duan, Zhuangzhi Wu, Dezhi Wang
The development of cost-competitive, high-efficiency hydrogen generation through electrolytic water splitting remains a critical objective for advancing sustainable hydrogen energy solutions. Here we have ingeniously devised a low-cost and high-yield powder metallurgy approach to fabricate NiFeCoMo alloy catalysts. Employing Ni, Fe, Co, and Mo powders as starting materials, the self-supported porous Ni3.2Fe0.4Co0.4Mo catalyst was successfully fabricated through a series of procedures including mixing, ball milling, pressing, and sintering. This porous electrode shows outstanding hydrogen evolution catalytic performance in the alkaline environment (1.0 M KOH). Notably, it merely requires an overpotential of 48.26 mV to achieve a current density of 10 mA cm−2, with a Tafel slope of only 92.34 mV dec−1. Moreover, it features a porosity of 42.3 %, a total pore area of 0.312 m2 g−1, and an impressively high double-layer capacitance of 162.51 mF cm−2. Additionally, the electrode demonstrates remarkable stability, maintaining a steady current even after a 48-h chronoamperometry test. This study offers a viable strategy for the rational design of high-efficiency electrocatalysts applicable to renewable energy scenarios, holding great promise for further promoting the development of relevant fields.
通过电解水分解开发具有成本竞争力的高效制氢技术仍然是推进可持续氢能解决方案的关键目标。在这里,我们巧妙地设计了一种低成本、高产量的粉末冶金方法来制造NiFeCoMo合金催化剂。以Ni、Fe、Co、Mo粉末为原料,经过混合、球磨、压制、烧结等一系列工艺,成功制备了自支撑多孔Ni3.2Fe0.4Co0.4Mo催化剂。该多孔电极在碱性环境(1.0 M KOH)下表现出优异的析氢催化性能。值得注意的是,它只需要48.26 mV的过电位就可以实现10 mA cm−2的电流密度,而塔菲尔斜率仅为92.34 mV dec−1。此外,它的孔隙率为42.3%,总孔隙面积为0.312 m2 g−1,双层电容高达162.51 mF cm−2。此外,电极表现出显著的稳定性,即使在48小时的计时安培测试后也能保持稳定的电流。本研究为合理设计适用于可再生能源场景的高效电催化剂提供了可行的策略,对进一步推动相关领域的发展具有重要意义。
{"title":"Porous NiFeCoMo alloy as highly efficient electrocatalyst for alkaline hydrogen evolution reaction","authors":"Tingle Wu,&nbsp;Xinli Liu,&nbsp;Bohua Duan,&nbsp;Zhuangzhi Wu,&nbsp;Dezhi Wang","doi":"10.1016/j.ijhydene.2026.153495","DOIUrl":"10.1016/j.ijhydene.2026.153495","url":null,"abstract":"<div><div>The development of cost-competitive, high-efficiency hydrogen generation through electrolytic water splitting remains a critical objective for advancing sustainable hydrogen energy solutions. Here we have ingeniously devised a low-cost and high-yield powder metallurgy approach to fabricate NiFeCoMo alloy catalysts. Employing Ni, Fe, Co, and Mo powders as starting materials, the self-supported porous Ni<sub>3.2</sub>Fe<sub>0.4</sub>Co<sub>0.4</sub>Mo catalyst was successfully fabricated through a series of procedures including mixing, ball milling, pressing, and sintering. This porous electrode shows outstanding hydrogen evolution catalytic performance in the alkaline environment (1.0 M KOH). Notably, it merely requires an overpotential of 48.26 mV to achieve a current density of 10 mA cm<sup>−2</sup>, with a Tafel slope of only 92.34 mV dec<sup>−1</sup>. Moreover, it features a porosity of 42.3 %, a total pore area of 0.312 m<sup>2</sup> g<sup>−1</sup>, and an impressively high double-layer capacitance of 162.51 mF cm<sup>−2</sup>. Additionally, the electrode demonstrates remarkable stability, maintaining a steady current even after a 48-h chronoamperometry test. This study offers a viable strategy for the rational design of high-efficiency electrocatalysts applicable to renewable energy scenarios, holding great promise for further promoting the development of relevant fields.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153495"},"PeriodicalIF":8.3,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975749","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
Cloud diffusion dynamics, risk zoning, and monitoring strategies of hydrogen-blended natural gas leakage in mixing stations: A CFD-based quantitative study 混合站氢混合天然气泄漏的云扩散动力学、风险分区和监测策略:基于cfd的定量研究
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-14 DOI: 10.1016/j.ijhydene.2026.153550
Hongye Jiang , Mingyue Kou , Minghua Chi , Ping Yin , Youlv Li , Taolong Xu
As an emerging component of the hydrogen economy and hydrogen-transport infrastructure, the hydrogen—natural gas mixing station (HNGMS) is developing rapidly, with China’s technical specification issued only in 2022. This study evaluates the leakage risks of hydrogen-blended natural gas (HBNG) in HNGMS using a three-dimensional CFD framework. The model quantifies cloud dispersion under the coupled influences of wind fields, operating parameters, and leakage characteristics, delineates multi-level risk zones based on the explosion-limit criterion, and derives alarm-placement strategies. Results show that HBNG clouds and risk zones are highly sensitive to wind fields, operating conditions, and leakage features. At low wind speeds, buoyancy drives near-source accumulation, whereas at high wind speeds, turbulent entrainment and horizontal advection dominate, lowering near-ground concentrations but enhancing downwind spread. Inflow direction modulates plume morphology: some directions promote near-source accumulation and suppress vertical rise, whereas others produce a taller, narrower plume and enlarge risk zones. Increasing hydrogen blending shifts the cloud from “low-broad” to “tall-narrow,” reducing overall volume and coverage. Higher pipeline pressure strengthens jet momentum, elevates the plume, and contracts risk zones horizontally toward the source. Leaks in recirculation zones exhibit the strongest near-ground buildup, whereas open-area leaks dilute more rapidly. A zoned, hierarchical, and dynamically adaptive monitoring strategy is recommended, emphasizing near-source/near-ground coverage under low-wind/low-pressure or methane-dominant conditions; prioritizing elevated sensing and extended downwind interception under high-wind/high-pressure or hydrogen-dominant conditions; and tailoring line, banded, or sector layouts to recirculation/shear regions and leak orientation. These results provide quantitative evidence for HNGMS risk assessment and alarm-placement strategies, thereby supporting the intrinsically safe and scalable deployment of hydrogen energy infrastructure.
作为氢经济和氢运输基础设施的新兴组成部分,氢天然气混合站(HNGMS)发展迅速,中国2022年才发布技术规范。本研究采用三维CFD框架对HNGMS中混合氢天然气(HBNG)的泄漏风险进行了评估。该模型量化了风场、运行参数和泄漏特性耦合影响下的云扩散,根据爆炸极限准则划定了多级危险区域,并推导出报警布置策略。结果表明,HBNG云和风险区对风场、运行条件和泄漏特征高度敏感。在低风速下,浮力驱动近源积累,而在高风速下,湍流夹带和水平平流占主导地位,降低了近地浓度,但增强了顺风传播。流入方向对羽流形态有调节作用:某些方向促进近源聚集,抑制垂直上升,而另一些方向则使羽流更高、更窄,扩大了风险区。氢混合的增加使云层从“低宽”转变为“高窄”,减少了整体体积和覆盖范围。更高的管道压力增强了射流动量,提升了烟羽,并使危险区向源头水平收缩。再循环区的泄漏表现出最强的近地面积聚,而开放区域的泄漏稀释得更快。建议采用分区、分层和动态自适应的监测策略,强调在低风/低压或甲烷为主的条件下近源/近地覆盖;在强风/高压或氢气优势条件下,优先考虑高架传感和扩展下风拦截;根据再循环/剪切区域和泄漏方向裁剪线、带状或扇形布局。这些结果为HNGMS风险评估和警报放置策略提供了定量证据,从而支持氢能源基础设施的本质安全和可扩展部署。
{"title":"Cloud diffusion dynamics, risk zoning, and monitoring strategies of hydrogen-blended natural gas leakage in mixing stations: A CFD-based quantitative study","authors":"Hongye Jiang ,&nbsp;Mingyue Kou ,&nbsp;Minghua Chi ,&nbsp;Ping Yin ,&nbsp;Youlv Li ,&nbsp;Taolong Xu","doi":"10.1016/j.ijhydene.2026.153550","DOIUrl":"10.1016/j.ijhydene.2026.153550","url":null,"abstract":"<div><div>As an emerging component of the hydrogen economy and hydrogen-transport infrastructure, the hydrogen—natural gas mixing station (HNGMS) is developing rapidly, with China’s technical specification issued only in 2022. This study evaluates the leakage risks of hydrogen-blended natural gas (HBNG) in HNGMS using a three-dimensional CFD framework. The model quantifies cloud dispersion under the coupled influences of wind fields, operating parameters, and leakage characteristics, delineates multi-level risk zones based on the explosion-limit criterion, and derives alarm-placement strategies. Results show that HBNG clouds and risk zones are highly sensitive to wind fields, operating conditions, and leakage features. At low wind speeds, buoyancy drives near-source accumulation, whereas at high wind speeds, turbulent entrainment and horizontal advection dominate, lowering near-ground concentrations but enhancing downwind spread. Inflow direction modulates plume morphology: some directions promote near-source accumulation and suppress vertical rise, whereas others produce a taller, narrower plume and enlarge risk zones. Increasing hydrogen blending shifts the cloud from “low-broad” to “tall-narrow,” reducing overall volume and coverage. Higher pipeline pressure strengthens jet momentum, elevates the plume, and contracts risk zones horizontally toward the source. Leaks in recirculation zones exhibit the strongest near-ground buildup, whereas open-area leaks dilute more rapidly. A zoned, hierarchical, and dynamically adaptive monitoring strategy is recommended, emphasizing near-source/near-ground coverage under low-wind/low-pressure or methane-dominant conditions; prioritizing elevated sensing and extended downwind interception under high-wind/high-pressure or hydrogen-dominant conditions; and tailoring line, banded, or sector layouts to recirculation/shear regions and leak orientation. These results provide quantitative evidence for HNGMS risk assessment and alarm-placement strategies, thereby supporting the intrinsically safe and scalable deployment of hydrogen energy infrastructure.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"207 ","pages":"Article 153550"},"PeriodicalIF":8.3,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975794","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
期刊
International Journal of Hydrogen Energy
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
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
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1