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CFD modelling and risk assessment of accidental hydrogen release in a desktop PEM electrolyser enclosure 台式PEM电解槽外壳中意外氢释放的CFD建模与风险评估
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1016/j.ijhydene.2026.153798
A.A. Malakhov , S. Mamathuntsha , A.V. Avdeenkov , D.G. Bessarabov
This study investigates the potential risk associated with accidental hydrogen (H2) release in an in-house developed desktop proton exchange membrane (PEM) electrolyser using experimental validation and computational fluid dynamics (CFD). Different release pressures of 1, 2, 4 and 6 bar were studied to determine the H2 dispersion across the enclosure. The effectiveness of air ventilation of 1 m/s in mitigating accidents was evaluated. CFD simulations reveal that the release pressure and ventilation play a critical role in H2 distribution, and hence the potential for safety concerns. An increase in the release pressure leads to an increase in the concentration of H2 and creates potentially dangerous zones. The maximum concentration reached 23.38 vol% in the experiment vs 25.66 vol% simulated, without air ventilation, while the use of a ventilation system reduced maximum concentration to 4.82 vol% in the experiment vs 3.37 vol% simulated at 6 bar of release pressure. The use of appropriate detection systems, such as H2 sensors and alarms, is found to be effective in triggering safety measures.
本研究利用实验验证和计算流体动力学(CFD)方法,研究了自行开发的台式质子交换膜(PEM)电解槽中意外氢(H2)释放的潜在风险。研究了1、2、4和6 bar不同的释放压力,以确定H2在外壳上的分散。评价了1 m/s风量对缓解事故的效果。CFD模拟表明,释放压力和通风在氢气分布中起着关键作用,因此存在潜在的安全问题。释放压力的增加导致H2浓度的增加,并产生潜在的危险区域。在没有空气通风的情况下,实验中的最大浓度达到23.38 vol%,而在没有空气通风的情况下,模拟的最大浓度为25.66 vol%,而在6 bar释放压力下,使用通风系统将实验中的最大浓度降低到4.82 vol%,而模拟的最大浓度为3.37 vol%。使用适当的探测系统,如H2传感器和报警器,可以有效地触发安全措施。
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引用次数: 0
Green hydrogen transition in developing countries: The case of Algeria 发展中国家的绿色氢转型:以阿尔及利亚为例
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-02-03 DOI: 10.1016/j.ijhydene.2026.153758
Redouane Melouki, Mustapha Reda Senouci
Green hydrogen is emerging as a strategic pathway for developing nations to advance the energy transition and strengthen their positions in future global markets. Algeria, endowed with abundant solar and wind resources and strategically located at the crossroads of Africa and Europe, is particularly well placed to play a leading role in this sector. This paper presents a comprehensive systematic review of hydrogen research in Algeria, covering 110 peer-reviewed studies published between 2000 and 2025. The review employed a rigorous three-stage screening process: an initial large language model (LLM)-assisted pre-screening, manual validation with ASReview, and full-text assessment to ensure relevance and quality. The analysis reveals a significant surge in research activity since 2021, coinciding with the launch of national hydrogen adoption initiatives in Algeria. The literature is dominated by production studies (86%), mainly solar (64%) and wind (33%), while storage, transport, and end-use applications remain underexplored. The reported levelized costs of hydrogen (LCOH) vary from $1.21 to $29.18/kg, reflecting differences in modeling assumptions, system scale, electrolyzer capital costs, and the inclusion of storage and transport infrastructure; current estimates in the most mature scenarios fall below $5/kg. Methodologically, modeling and simulation dominate (65%), whereas experimental work remains limited (15%). Overall, Algeria shows strong potential but requires greater focus on pilot projects, value-chain integration, and techno-economic assessments. This review maps the country’s research evolution and offers insights for resource-rich developing nations seeking to accelerate their green hydrogen transitions.
绿色氢正在成为发展中国家推进能源转型和加强其在未来全球市场地位的战略途径。阿尔及利亚拥有丰富的太阳能和风能资源,地处非洲和欧洲的十字路口,在这一领域发挥主导作用尤为有利。本文对阿尔及利亚的氢研究进行了全面的系统回顾,涵盖了2000年至2025年间发表的110项同行评议研究。审查采用了严格的三阶段筛选过程:初始大语言模型(LLM)辅助的预筛选,使用ASReview进行手动验证,以及全文评估以确保相关性和质量。分析显示,自2021年以来,研究活动大幅增加,与阿尔及利亚启动国家氢采用计划相吻合。文献以生产研究(86%)为主,主要是太阳能(64%)和风能(33%),而储存、运输和最终用途应用仍未得到充分探索。报告的氢(LCOH)平准化成本从每公斤1.21美元到29.18美元不等,反映了建模假设、系统规模、电解槽资本成本以及存储和运输基础设施的差异;目前对大多数成熟情况的估计低于5美元/公斤。在方法上,建模和模拟占主导地位(65%),而实验工作仍然有限(15%)。总体而言,阿尔及利亚显示出强大的潜力,但需要更多地关注试点项目、价值链整合和技术经济评估。这篇综述描绘了该国的研究演变,并为寻求加速其绿色氢转型的资源丰富的发展中国家提供了见解。
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引用次数: 0
Accelerated discovery of low-cost Mg-based solid-state H2 storage alloys for enhanced hydrogen des-/absorption behavior via machine learning-guided binary-element minor doping 通过机器学习引导的二元元素微量掺杂加速发现低成本的mg基固态储氢合金,以增强氢的脱/吸收行为
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 DOI: 10.1016/j.ijhydene.2025.153289
Wei Xue , Junli Wang , Wenbo Luo , Yanke Guo , Youhua Yan , Chen Wen , Shaoxiang Li , Andreas Züttel , Zhiyong Xue , Weihua Wang
Mg-based solid-state hydrogen storage faces a fundamental materials design paradox: reconciling near theoretical hydrogen capacity with rapid sorption kinetics while maintaining economically viable material costs-a triad wherein enhancing any two properties has traditionally necessitated compromising the third. In this study, the quantitative relationship between absorption property with chemical compositions basing machine learning (ML) strategy through SHAP-based feature ranking with six algorithms: Linear Regression (LR), Decision Tree (DT), K-Nearest Neighbors (KNN), Support Vector Machine (SVM), Random Forest (RF), and Xtreme Gradient Boosting (XGBoost), and then identifying six critical descriptors (Mg/Ni content, atomic size mismatch δ, mixing entropy change ΔS, valence electron concentration VEC and electronegativity C). Their contributions are mathematically fused into a composite parameter Z, which showed a sigmoidal logistic relationship with H2 storage capacity. Crucially, Z enables rational binary doping synergistically pairing lattice-distorting and interface-catalyzing elements - to transcend performance-cost trade-offs. Guided by optimized boundaries (Mg ≥ 90 at.%, Ni ≤ 10 at.%, δ: 6.4-6.99 %, ΔS: 2.81-3.35 J/mol·K, VEC: 2.7-2.72 e/a, C: 1.356-1.368), the designed Mg89.5Ni9(CaNd)1.5 is experimentally realized, achieving 6.27 wt% H2 absorption capacity, as well as lower 200 °C desorption temperature. This series alloys showed 1.114 wt%/min desorption kinetics behavior (with 6.3 times faster than that of Mg-Ni alloys with high Ni content), confirming 93 % and 46 % absorption/desorption time reduction, basing JMAK model analysis. These promotions are mechanistically attributed to binary-doping-induced α-Mg/Mg2Ni lattice distortion and interfacial nano-structuring, thereby resolving the capacity-kinetics-cost triad through atomistically informed design.
镁基固态储氢面临着一个基本的材料设计悖论:在保持经济上可行的材料成本的同时,调和接近理论的氢容量与快速吸附动力学——传统上,提高任何两种性能都需要牺牲第三种性能。在本研究中,基于机器学习(ML)策略,通过基于shap的特征排序,采用六种算法,建立了吸收特性与化学成分之间的定量关系:通过线性回归(LR)、决策树(DT)、k近邻(KNN)、支持向量机(SVM)、随机森林(RF)和Xtreme梯度增强(XGBoost)等方法,识别出6个关键描述符(Mg/Ni含量、原子尺寸失配δ、混合熵变ΔS、价电子浓度VEC和电负性C)。他们的贡献在数学上融合成一个复合参数Z,该参数与H2存储容量呈s型逻辑关系。至关重要的是,Z使合理的二元掺杂能够协同配对晶格扭曲和界面催化元素,从而超越性能成本权衡。在优化边界指导下(Mg≥90 at)。%, Ni≤10 at。%, δ: 6.4 ~ 6.99%, ΔS: 2.81 ~ 3.35 J/mol·K, VEC: 2.7 ~ 2.72 e/a, C: 1.356 ~ 1.368),实验实现了设计的Mg89.5Ni9(CaNd)1.5, H2吸附量为6.27 wt%,解吸温度低于200℃。基于JMAK模型分析,该系列合金的吸脱附动力学行为为1.114 wt%/min(比高Ni含量Mg-Ni合金快6.3倍),吸脱附时间分别减少93%和46%。这些提升机制归因于二元掺杂诱导的α-Mg/Mg2Ni晶格畸变和界面纳米结构,从而通过原子信息设计解决了容量-动力学-成本三元关系。
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引用次数: 0
Analysis of anion exchange membrane electrolysis for hydrogen production- A Parametric study 阴离子交换膜电解制氢的分析-参数化研究
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153793
Wei-Mon Yan , Kuo-Wei Wu , Chih-Chia Lin , Feng-Chia Hsu , Saman Rashidi , Yen-Hsin Chan
Anion exchange membrane electrolyzers (AEMECs) offer several advantages, including the use of non-precious metal catalysts, alkaline operating conditions, and low system costs, making them a promising technology for green hydrogen production. To further investigate the influence of operating conditions and geometric design on AEMEC performance, this study establishes more refined three-dimensional multiphysics coupled numerical model compared to existing literature. The model simulates heat transfer, mass transport, and electrochemical behavior under varying temperatures, electrolyte flow rates, and flow field configurations. Performance evaluation is conducted through analysis of polarization curves, local current density distributions, and temperature profiles. Simulation results indicate that increasing the operating temperature significantly enhances electrochemical activity and conductivity. Performance improvement of the electrolyzer is confirmed by polarization curves. Electrolyte flow rate affects heat dissipation and temperature gradient, with a maximum temperature difference of 16.6 °C, which in turn affects local reaction rates and system stability. Regarding flow channel geometry, different designs exhibit varying degrees of influence on local current density and temperature distributions. The interdigitated flow field demonstrates the most effective thermal homogenization capability, with the average temperature rising by only 9 °C under maximum operating voltage. In contrast, the parallel flow field achieves the highest current density of 1.4221 A/cm2 under high flow rate conditions. Overall, operating conditions and flow channel design critically affect electrolyzer performance and must be considered to achieve efficient and stable operation.
阴离子交换膜电解槽(AEMECs)具有多种优点,包括使用非贵金属催化剂、碱性操作条件和低系统成本,使其成为一种有前途的绿色制氢技术。为了进一步研究工作条件和几何设计对AEMEC性能的影响,本研究建立了比现有文献更精细的三维多物理场耦合数值模型。该模型模拟了在不同温度、电解质流速和流场配置下的传热、传质和电化学行为。通过分析极化曲线、局部电流密度分布和温度分布来进行性能评估。模拟结果表明,提高工作温度可以显著提高电化学活性和电导率。极化曲线证实了电解槽性能的改善。电解质流速影响散热和温度梯度,最大温差为16.6℃,进而影响局部反应速率和体系稳定性。在流道几何形状方面,不同的设计对局部电流密度和温度分布有不同程度的影响。交错流场表现出最有效的热均匀化能力,在最大工作电压下平均温度仅上升9°C。而平行流场在大流量条件下电流密度最高,为1.4221 A/cm2。总的来说,操作条件和流道设计对电解槽的性能有很大的影响,为了实现高效稳定的运行,必须加以考虑。
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引用次数: 0
Effects of defect dimension on the hydrogen embrittlement sensitivity of X65 steel-experiments and FE simulations 缺陷尺寸对X65钢氢脆敏感性的影响试验与有限元模拟
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153515
Shuhan Jin , Dongxu Sun , Yang Yu , Chengwei Liu , Peiqing Wang , Shuai Ren , Ming Xu , Fei Xie , Ming Wu
This study investigated the correlations between hydrogen embrittlement sensitivity of X65 steel and defect dimension using experimental and numerical simulation methods. The results of slow strain rate tensile tests indicate that defect dimension significantly affects the mechanical properties of steel, especially in an electrochemical hydrogen charging environment. Specifically, the shorter and deeper defects exhibit poorer plasticity and higher hydrogen embrittlement sensitivity. Compared to defect length, defect depth has a more pronounced effect on hydrogen embrittlement sensitivity. Hydrogen diffusion-mechanical coupling simulation results reveal that H atoms are driven by hydrostatic stress gradient to aggregate in regions of high stress. Defect depth impacts internal hydrogen diffusion and fracture strain of the specimen more significantly than defect length. Both defects and hydrogen promote specimen fracture, with defects exhibiting a more pronounced effect. However, when both defects and hydrogen are present, the presence of defects weakens the promotion of fracture by hydrogen.
采用实验和数值模拟的方法研究了X65钢氢脆敏感性与缺陷尺寸的关系。慢应变速率拉伸试验结果表明,缺陷尺寸对钢的力学性能有显著影响,特别是在电化学充氢环境下。缺陷越短越深,塑性越差,氢脆敏感性越高。与缺陷长度相比,缺陷深度对氢脆敏感性的影响更为显著。氢扩散-力学耦合模拟结果表明,氢原子在静水应力梯度的驱动下在高应力区域聚集。缺陷深度比缺陷长度对试样内部氢扩散和断裂应变的影响更显著。缺陷和氢都促进试样断裂,其中缺陷的作用更为明显。然而,当缺陷和氢同时存在时,缺陷的存在削弱了氢对断裂的促进作用。
{"title":"Effects of defect dimension on the hydrogen embrittlement sensitivity of X65 steel-experiments and FE simulations","authors":"Shuhan Jin ,&nbsp;Dongxu Sun ,&nbsp;Yang Yu ,&nbsp;Chengwei Liu ,&nbsp;Peiqing Wang ,&nbsp;Shuai Ren ,&nbsp;Ming Xu ,&nbsp;Fei Xie ,&nbsp;Ming Wu","doi":"10.1016/j.ijhydene.2026.153515","DOIUrl":"10.1016/j.ijhydene.2026.153515","url":null,"abstract":"<div><div>This study investigated the correlations between hydrogen embrittlement sensitivity of X65 steel and defect dimension using experimental and numerical simulation methods. The results of slow strain rate tensile tests indicate that defect dimension significantly affects the mechanical properties of steel, especially in an electrochemical hydrogen charging environment. Specifically, the shorter and deeper defects exhibit poorer plasticity and higher hydrogen embrittlement sensitivity. Compared to defect length, defect depth has a more pronounced effect on hydrogen embrittlement sensitivity. Hydrogen diffusion-mechanical coupling simulation results reveal that H atoms are driven by hydrostatic stress gradient to aggregate in regions of high stress. Defect depth impacts internal hydrogen diffusion and fracture strain of the specimen more significantly than defect length. Both defects and hydrogen promote specimen fracture, with defects exhibiting a more pronounced effect. However, when both defects and hydrogen are present, the presence of defects weakens the promotion of fracture by hydrogen.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153515"},"PeriodicalIF":8.3,"publicationDate":"2026-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077079","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
Hydrogen Roadmap 2050: Technical and economic perspectives on hydrogen green blending in the heating sector Northern Netherlands 2050年氢路线图:荷兰北部供热部门氢绿色混合的技术和经济前景
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153640
Willem Hilverda, Songul Tekeli, Evrim Ursavas, Stuart X. Zhu
The Netherlands aims to phase out natural gas by 2050, positioning hydrogen as a cornerstone of the national energy transition. This study examines the technical and economic feasibility of hydrogen blending in the heating sector of the Northern Netherlands, a region-specific case where hydrogen integration is actively pursued as part of a designated Hydrogen Valley strategy under the EU Green Deal. A mixed-method approach is adopted, combining a focused review of the technical challenges of hydrogen blending — including gas metering accuracy, odorization stability, stratification, and appliance performance — with quantitative scenario-based techno-economic modeling using Monte Carlo simulation. In contrast to prior qualitative assessments, six blending scenarios are analyzed under varying renewable capacities and hydrogen allocations for the year 2030, with implications projected toward 2050. Results indicate that while a 20% hydrogen blend is technically feasible, domestic hydrogen supply remains insufficient, requiring explicitly quantified large-scale imports and storage expansion. The analysis further identifies storage capacity and seasonal supply-demand mismatches as binding constraints, alongside technical barriers such as metering errors, odorant fading, and appliance adaptation, which remain critical to safe implementation. The findings underscore that blending can serve as a transitional measure toward a fully hydrogen-based heating system, provided that regulatory standards and infrastructure upgrades are systematically aligned. By linking regional offshore renewable allocation, hydrogen availability, and storage requirements, this integrated analysis contributes to the Hydrogen Roadmap 2050 by moving beyond confirmation of blending feasibility and instead delivering region-specific, quantitative insights that inform infrastructure planning, policy design, and long-term heating decarbonization pathways.
荷兰的目标是到2050年逐步淘汰天然气,将氢定位为国家能源转型的基石。本研究考察了荷兰北部供暖部门氢混合的技术和经济可行性,这是一个特定区域的案例,在欧盟绿色协议下,氢整合作为指定氢谷战略的一部分被积极追求。采用混合方法,结合对氢气混合技术挑战的重点审查-包括气体计量准确性,加臭稳定性,分层和设备性能-使用蒙特卡罗模拟的基于定量场景的技术经济建模。与之前的定性评估相比,在2030年不同的可再生能源容量和氢气分配下,分析了六种混合情景,并预测了对2050年的影响。结果表明,虽然20%的混合氢在技术上是可行的,但国内氢供应仍然不足,需要明确量化的大规模进口和储存扩张。分析进一步确定了存储容量和季节性供需不匹配是约束性限制,以及计量错误、气味消退和设备适应等技术障碍,这些仍然是安全实施的关键。研究结果强调,只要监管标准和基础设施升级系统一致,混合燃料可以作为向完全基于氢的供暖系统过渡的措施。通过将区域海上可再生能源分配、氢气可用性和储存需求联系起来,这一综合分析不仅确认了混合可行性,还提供了针对特定区域的定量见解,为基础设施规划、政策设计和长期加热脱碳途径提供了信息,从而为2050年氢路线图做出了贡献。
{"title":"Hydrogen Roadmap 2050: Technical and economic perspectives on hydrogen green blending in the heating sector Northern Netherlands","authors":"Willem Hilverda,&nbsp;Songul Tekeli,&nbsp;Evrim Ursavas,&nbsp;Stuart X. Zhu","doi":"10.1016/j.ijhydene.2026.153640","DOIUrl":"10.1016/j.ijhydene.2026.153640","url":null,"abstract":"<div><div>The Netherlands aims to phase out natural gas by 2050, positioning hydrogen as a cornerstone of the national energy transition. This study examines the technical and economic feasibility of hydrogen blending in the heating sector of the Northern Netherlands, a region-specific case where hydrogen integration is actively pursued as part of a designated Hydrogen Valley strategy under the EU Green Deal. A mixed-method approach is adopted, combining a focused review of the technical challenges of hydrogen blending — including gas metering accuracy, odorization stability, stratification, and appliance performance — with quantitative scenario-based techno-economic modeling using Monte Carlo simulation. In contrast to prior qualitative assessments, six blending scenarios are analyzed under varying renewable capacities and hydrogen allocations for the year 2030, with implications projected toward 2050. Results indicate that while a 20% hydrogen blend is technically feasible, domestic hydrogen supply remains insufficient, requiring explicitly quantified large-scale imports and storage expansion. The analysis further identifies storage capacity and seasonal supply-demand mismatches as binding constraints, alongside technical barriers such as metering errors, odorant fading, and appliance adaptation, which remain critical to safe implementation. The findings underscore that blending can serve as a transitional measure toward a fully hydrogen-based heating system, provided that regulatory standards and infrastructure upgrades are systematically aligned. By linking regional offshore renewable allocation, hydrogen availability, and storage requirements, this integrated analysis contributes to the Hydrogen Roadmap 2050 by moving beyond confirmation of blending feasibility and instead delivering region-specific, quantitative insights that inform infrastructure planning, policy design, and long-term heating decarbonization pathways.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"212 ","pages":"Article 153640"},"PeriodicalIF":8.3,"publicationDate":"2026-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077189","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
Accidental release from subsea hydrogen storage – Mathematical model and experimental measurements 海底储氢装置的意外释放。数学模型和实验测量
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153742
Joachim Lundberg
Subsea hydrogen storage presents a promising alternative to conventional land-based pressure vessels, offering inherent advantages related to fire prevention and containment. However, accidental releases still pose safety challenges, particularly the formation of explosive hydrogen-air mixtures at the water surface. This study develops a one-dimensional integral model to simulate hydrogen plume behaviour following a high-pressure subsea gas release. The model incorporates subsea jet dynamics, buoyant bubble plume formation, and turbulent mixing at the air–water interface. Validation is performed using existing experimental data alongside a dedicated experimental campaign employing helium as a surrogate gas. Model and experiments show hydrogen concentrations dilute rapidly above water, reducing explosion risk. The findings provide critical insights for risk assessment and safety design of subsea hydrogen storage systems.
海底储氢是传统陆上压力容器的一种很有前途的替代方案,在防火和密封方面具有固有的优势。然而,意外泄漏仍然构成安全挑战,特别是在水面形成爆炸性的氢-空气混合物。本研究开发了一个一维积分模型来模拟高压海底气体释放后的氢羽流行为。该模型结合了海底射流动力学、浮力气泡羽流形成和空气-水界面的湍流混合。使用现有的实验数据以及使用氦气作为替代气体的专用实验活动进行验证。模型和实验表明,氢气浓度在水面上迅速稀释,降低了爆炸风险。这些发现为水下储氢系统的风险评估和安全设计提供了重要的见解。
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引用次数: 0
Integrating multidisciplinary criteria for the evaluation of geological hydrogen storage sites 综合多学科标准评价地质储氢点
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153773
Antonio Hurtado , Alberto Llamas , Juan F. Llamas , Luis F. Mazadiego , Sonsoles Eguilior
Selecting suitable sites for geological hydrogen storage requires integrating geological, technical, economic, environmental, and social criteria. We review the literature to develop a standardized framework of 35 criteria across six domains and use Bayesian Belief Networks (BBNs) to analyse their frequency and co-occurrence in 43 papers [1-43]. Stratified analysis and Kullback–Leibler divergence reveal a systematic bias toward geoscientific criteria and underrepresentation of economic and social factors. We propose a Hierarchical Domain-Based Bayesian Network to correct these biases and support balanced, transparent evaluations. An illustrative application to a theoretical salt dome shows that targeted improvements in infrastructure and socio-economic factors can raise feasibility from 62.10 % to 79.98 %, crossing a pragmatic viability threshold (∼75 %). Sensitivity analysis identifies infrastructure development as the highest-leverage domain and operational flexibility as a key economic bottleneck. This study provides a reproducible diagnostic method and a robust framework for multidisciplinary site assessment.
选择合适的地质储氢地点需要综合地质、技术、经济、环境和社会标准。我们回顾了文献,在6个领域开发了35个标准的标准化框架,并在43篇论文中使用贝叶斯信念网络(bbn)分析了它们的频率和共现性[1-43]。分层分析和Kullback-Leibler分歧揭示了对地球科学标准的系统性偏见和对经济和社会因素的代表性不足。我们提出了一个基于层次域的贝叶斯网络来纠正这些偏见,并支持平衡、透明的评估。对一个理论盐穹的说明应用表明,有针对性地改善基础设施和社会经济因素可以将可行性从62.10%提高到79.98%,超过实际可行性阈值(~ 75%)。敏感性分析将基础设施开发确定为杠杆最高的领域,而运营灵活性则是关键的经济瓶颈。本研究为多学科现场评估提供了一种可重复的诊断方法和可靠的框架。
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引用次数: 0
Crystal facet engineering and band structure modulation of In4SnS8 for enhanced photocatalytic hydrogen peroxide production: Mechanistic insights 用于增强光催化过氧化氢生产的In4SnS8晶体面工程和能带结构调制:机理见解
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153781
Xiuxiu Tian, Yafei Zhang, Wenfeng Xu, Weina Mu, Chun Chang
In4SnS8 exhibits significant potential for efficient hydrogen peroxide (H2O2) production owing to its visible-light responsiveness and sufficiently negative conduction band position. However, in-depth investigations into its photocatalytic H2O2 generation remain limited. In this study, hierarchical In4SnS8 nanoflowers were controllably synthesized via precise regulation of hydrothermal temperature and duration, achieving maximal exposure of the (311) crystal facets and optimization of the band structure. The optimal sample (obtained at 140 °C for 48 h) demonstrated exceptional catalytic activity under visible-light irradiation, achieving an H2O2 yield of 253.59 μmol g−1 h−1. Mechanistic investigations demonstrated that H2O2 production primarily follows a two-step oxygen reduction reaction (ORR) pathway mediated by superoxide radicals (·O2) as the key intermediate. Additionally, the synergistic effect of photogenerated holes (h+) and singlet oxygen (1O2) further amplified catalytic efficiency. This work clears the mechanism of H2O2 photoproduction over In4SnS8-based materials and provides insights for designing high-performance photocatalysts to advance solar-driven H2O2 synthesis.
由于其可见光响应性和足够负的导带位置,In4SnS8显示出有效生产过氧化氢(H2O2)的显著潜力。然而,对其光催化生成H2O2的深入研究仍然有限。在本研究中,通过精确调节水热温度和持续时间,可控地合成了层叠的In4SnS8纳米花,实现了(311)晶面的最大曝光和能带结构的优化。最佳样品(140°C, 48 h)在可见光照射下表现出优异的催化活性,H2O2产率达到253.59 μmol g−1 h−1。机制研究表明,H2O2的产生主要遵循两步氧还原反应(ORR)途径,超氧自由基(·O2−)作为关键中间体介导。此外,光生空穴(h+)和单线态氧(1O2)的协同作用进一步提高了催化效率。这项工作明确了在in4sns8基材料上光生成H2O2的机制,并为设计高性能光催化剂以推进太阳能驱动的H2O2合成提供了见解。
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引用次数: 0
Electronic modulation via oxygen doping in Cu-porphyrin/g-C3N4 heterojunctions for enhanced sonophotocatalytic H2 production cu -卟啉/g-C3N4异质结中氧掺杂的电子调制增强声光催化制氢
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-31 DOI: 10.1016/j.ijhydene.2026.153695
Baker Rhimi , Attiq Ur Rehman , Yuanzhi Hu , Sherif A. El-Khodary , Zhehao Liu , Min Zhou , Karim Harrath , Qiang Ma , Long Zhao , Zhifeng Jiang , Weidong Shi
The development of efficient and stable photocatalysts for hydrogen evolution is crucial for solar-to-fuel conversion. Here, we report Cu-porphyrin (CuTCPP)/oxygen-doped g-C3N4 (O–CN) nanohybrids as high-performance sonophotocatalysts, where strong π–π stacking interactions create robust heterojunctions that promote efficient charge separation and transfer. The optimal 2 % CuTCPP/O–CN2 sample exhibited a 3.3-fold enhancement in H2 evolution compared to O–CN2 under simulated light coupled with ultrasonication. Experimental results combined with density functional theory (DFT) calculations confirmed the suppression of charge recombination and highlighted the synergistic contribution of ultrasonic excitation with light irradiation. Furthermore, oxygen doping was found to not only reinforce the CuTCPP/O–CN interface but also provides robust anchoring sites for Pt cocatalysts, preventing leaching and aggregation while electronically modulating Pt to optimize its d-band center and H2 adsorption free energy. These findings provide valuable insights into the rational design of stable and high-active hybrid photocatalysts for solar fuel generation.
开发高效稳定的析氢光催化剂对太阳能到燃料的转化至关重要。在这里,我们报道了cu -卟啉(CuTCPP)/氧掺杂g-C3N4 (O-CN)纳米杂化物作为高性能声光催化剂,其中强π -π堆叠相互作用产生强大的异质结,促进有效的电荷分离和转移。与O-CN2相比,最佳的2% CuTCPP/ O-CN2样品在模拟光和超声耦合作用下的H2演化能力增强了3.3倍。实验结果与密度泛函理论(DFT)计算相结合,证实了超声激发和光照射对电荷复合的抑制作用,并突出了超声激发和光照射的协同作用。此外,氧掺杂不仅增强了CuTCPP/ O-CN界面,还为Pt共催化剂提供了强大的锚定位点,防止Pt的浸出和聚集,同时电子调节Pt以优化其d波段中心和H2吸附自由能。这些发现为合理设计稳定、高活性的混合光催化剂提供了有价值的见解。
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引用次数: 0
期刊
International Journal of Hydrogen Energy
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