International Journal of Hydrogen Energy最新文献_第7页

Sensor-efficient, data-driven estimation of hydrogen leak source terms for indoor industrial and community systems 用于室内工业和社区系统的氢泄漏源术语的传感器效率，数据驱动估计

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-23 DOI: 10.1016/j.ijhydene.2026.156184

Ang Li, Ziqiang Lang, Chuantao Ni, Bing Wang, Chenxi Cao, Wenli Du, Feng Qian

Hydrogen is central to a low-carbon energy future, yet its high diffusivity and low density increase the risk of leakage, accumulation in confined spaces, and explosion. Accurate source term estimation (STE) based on sensor data is therefore critical for safe hydrogen operations. However, conventional STE methods require more sensors than potential leak sources—an assumption impractical for hydrogen systems, where extensive infrastructure and hydrogen's small molecular size create far more possible leak points than deployable sensors. Here, we present a sensor-efficient, data-driven STE framework that enables reliable leak localization and quantification under sparse sensing conditions. By integrating physics-informed modeling with data-driven inference, the method reconstructs leak source terms from limited hydrogen concentration measurements. The framework is validated using both high-fidelity computational fluid dynamics simulations of a hydrogen-fueled turbine generator and controlled experiments in a fuel cell vehicle garage. Remarkably, the STE is theoretically achievable with as few as two sensors, significantly reducing sensing requirements compared to existing approaches. This work provides a practical and scalable solution for real-time hydrogen leak source reconstruction in indoor industrial and community environments, advancing safety management and supporting the broader deployment of hydrogen energy systems.

氢是未来低碳能源的核心，但其高扩散率和低密度增加了泄漏、密闭空间积聚和爆炸的风险。因此，基于传感器数据的准确源项估计（STE）对于安全氢气操作至关重要。然而，传统的STE方法需要更多的传感器而不是潜在的泄漏源，这一假设对于氢气系统来说是不切实际的，因为氢气的基础设施和小分子尺寸比可部署的传感器产生了更多可能的泄漏点。在这里，我们提出了一个传感器效率，数据驱动的STE框架，可以在稀疏感知条件下实现可靠的泄漏定位和量化。通过将物理建模与数据驱动推理相结合，该方法从有限的氢浓度测量中重建泄漏源项。该框架通过氢燃料涡轮发电机的高保真计算流体动力学模拟和燃料电池汽车车库的控制实验进行了验证。值得注意的是，STE理论上只需要两个传感器就可以实现，与现有方法相比，显著降低了传感要求。这项工作为室内工业和社区环境中的实时氢泄漏源重建提供了一种实用且可扩展的解决方案，促进了安全管理并支持氢能源系统的更广泛部署。

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引用次数: 0

Artificial intelligence-based modeling and multi-objective optimization of industrial hydrogen production with minimization of CO and CO2 generation 基于人工智能的工业制氢建模与多目标优化

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-24 DOI: 10.1016/j.ijhydene.2026.156210

Parsia Amrolalaei, Elmira Nozari, Mahdi Askari, Philip L. Fosbøl, Hooman Fatoorehchi

This study presents an integrated approach for modeling and multi-objective optimization of the reaction section of an industrial steam methane reforming hydrogen production plant. The process was simulated in Aspen Plus using a detailed kinetic model and validated against industrial data. Response surface methodology and an artificial neural network (ANN) were developed as surrogate models and coupled with the NSGA-II algorithm to maximize hydrogen production while minimizing CO and CO₂ emissions. The ANN achieved predictive accuracy (R² > 0.999). Sobol global sensitivity analysis identified reformer inlet temperature and steam-to-methane ratio as the most influential variables, while less significant parameters were fixed to reduce optimization dimensionality. Both optimization approaches converged to a similar operating region, yielding hydrogen production rates of 4300–4600 mol h⁻¹ and CO + CO₂ production rates of 900–980 mol h⁻¹. Validation using Aspen Plus confirmed the reliability of the proposed method, with the ANN-based approach providing the highest prediction accuracy.

提出了一种工业蒸汽甲烷重整制氢装置反应段建模与多目标优化的集成方法。该过程在Aspen Plus中使用详细的动力学模型进行了模拟，并根据工业数据进行了验证。采用响应面法和人工神经网络（ANN）作为替代模型，并与NSGA-II算法相结合，实现氢气产量最大化，同时减少CO和CO2排放。人工神经网络达到了预测精度（R2 >； 0.999）。Sobol全局灵敏度分析将重整器进口温度和蒸汽甲烷比作为影响最大的变量，并对影响较小的参数进行固定以降低优化维数。两种优化方法收敛到相似的操作区域，产氢率为4300-4600 mol h−1，CO + CO2产率为900-980 mol h−1。使用Aspen Plus验证证实了所提出方法的可靠性，基于人工神经网络的方法提供了最高的预测精度。

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引用次数: 0

Effect of Mo content on hydrogen storage properties and cyclic stability of BCC-type TiCrMo alloys Mo含量对bcc型TiCrMo合金储氢性能和循环稳定性的影响

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-26 DOI: 10.1016/j.ijhydene.2026.156197

Hongmei Cai, Yakun Zhang, Yaying Cao, Di Wan, Yumeng Zhao, Yunfei Xue

BCC-type Ti–Cr–Mo alloys are low-cost and promising alternatives to vanadium-based hydrogen storage alloys, but their insufficient cyclic stability severely limits practical applications. In this work, single-phase BCC Ti–Cr–Mo alloys with different Mo contents were fabricated by vacuum arc melting combined with water quenching. The results indicate that increasing Mo content significantly enhances the structural stability of the alloys. Synergistically regulated by lattice parameters and bulk modulus, the maximum hydrogen storage capacity decreases from 3.5 wt% to 3.09 wt%, while the capacity retention after 50 cycles increases from 74.6% to 88.9%. HR-TEM and TDS analyses confirm that Mo addition effectively suppresses local amorphization and irreversible hydrogen trapping. Proper adjustment of Mo content can significantly improve cyclic stability while maintaining favorable hydrogen storage performance, providing an important basis for the compositional design of high-performance vanadium-free BCC hydrogen storage alloys.

bcc型Ti-Cr-Mo合金是钒基储氢合金的低成本和有前途的替代品，但其循环稳定性不足严重限制了实际应用。采用真空电弧熔炼结合水淬法制备了不同Mo含量的单相BCC Ti-Cr-Mo合金。结果表明，Mo含量的增加显著提高了合金的组织稳定性。在晶格参数和体积模量的协同调节下，最大储氢容量从3.5 wt%降低到3.09 wt%，而循环50次后的容量保持率从74.6%提高到88.9%。HR-TEM和TDS分析证实Mo的加入有效抑制了局部非晶化和不可逆氢捕获。适当调整Mo含量可显著提高循环稳定性，同时保持良好的储氢性能，为高性能无钒BCC储氢合金的成分设计提供重要依据。

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引用次数: 0

Atomic-scale insights into tritium speciation and interfacial behavior at molten salt/graphite and molten salt/alloy interfaces 熔盐/石墨和熔盐/合金界面上氚形态和界面行为的原子尺度洞察

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-24 DOI: 10.1016/j.ijhydene.2026.156188

Linbing Jiang, Shuying Lin, Xiaobin Zhou, Ke Deng, Guo Yang, Youshi Zeng, Wenguan Liu

Tritium interfacial behavior is governed by its chemical speciation and the surface microstructure of structural materials. On-the-fly machine-learning molecular dynamics was used to examine tritium speciation in molten FLiBe and its interaction with representative surfaces. In FLiBe, H₂ remains molecular under neutral conditions with an H–H distance of ∼0.77 Å, whereas oxidizing conditions convert H₂ into HF-like species with a bond length of ∼1.05 Å. Under reducing conditions, Be-associated hydride-like H forms with a negative charge. At interfaces, pristine graphite provides reversible C–H adsorption, while vacancies and graphite edges form stronger C–H traps with bond lengths of 1.13-1.19 Å. Edge fluorination competes with tritium trapping, and NiMoCr(111) promotes mobile hollow-site H adsorption and Cr–F association. Pristine and vacancy graphite show preferential affinity for neutral H, whereas graphite edges and NiMoCr(111) exhibit weak tritium-species selectivity. These results identify speciation- and microstructure-dependent pathways for tritium retention and permeation in molten salt reactors.

氚的界面行为受其化学形态和结构材料表面微观结构的制约。动态机器学习分子动力学用于研究熔融FLiBe中的氚形态及其与代表性表面的相互作用。在FLiBe中，H2在中性条件下保持分子性质，H-H距离为~ 0.77 Å，而氧化条件将H2转化为键长为~ 1.05 Å的类hf物质。在还原条件下，与be相关的类氢化物H带负电荷形成。在界面处，原始石墨提供可逆的碳氢吸附，而空位和石墨边缘形成更强的碳氢阱，键长为1.13-1.19 Å。边缘氟化与氚捕获竞争，NiMoCr（111）促进移动空位点H吸附和Cr-F结合。原始石墨和空位石墨对中性氢表现出优先亲和性，而石墨边缘和NiMoCr（111）对氚的选择性较弱。这些结果确定了熔盐反应堆中氚保留和渗透的形态和微观结构依赖途径。

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引用次数: 0

Solar water-splitting devices: Architectures, design principles, and scale-up challenges 太阳能水分解装置：架构、设计原则和扩大规模的挑战

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-25 DOI: 10.1016/j.ijhydene.2026.156169

Ying Wang, Hao Wang, Weilong Qin

Solar-driven water splitting is a promising strategy for converting abundant solar energy into green hydrogen, but its practical deployment is limited not only by materials performance but also by insufficient device-level engineering. Although substantial progress has been made in developing light absorbers and catalysts, less attention has been paid to the configuration, integration, and operational optimization of complete systems. Unlike previous reviews that have mainly focused on photocatalysts, photoelectrodes, electrocatalysts, or reaction mechanisms, this review emphasizes the device configuration, system integration, and scale-up constraints of complete solar water-splitting systems. By comparing particulate photocatalysis, photoelectrochemical systems, and photovoltaic-electrochemical architectures from a device-level perspective, we highlight how light management, ohmic-loss mitigation, gas separation, mass transport, operational stability, and cost considerations govern the translation of material-level advances into practical solar hydrogen production. Finally, the need for standardized and scalable device architectures is emphasized.

太阳能驱动的水分解是将丰富的太阳能转化为绿色氢的一种很有前途的策略，但其实际部署不仅受到材料性能的限制，而且还受到设备级工程不足的限制。虽然在开发光吸收剂和催化剂方面取得了实质性进展，但对整个系统的配置、集成和操作优化的关注较少。与以往主要关注光催化剂、光电极、电催化剂或反应机理的综述不同，本文强调了完整的太阳能水分解系统的设备配置、系统集成和规模限制。通过从器件级的角度比较颗粒光催化、光电电化学系统和光电电化学架构，我们强调了光管理、欧姆损耗缓解、气体分离、质量传输、操作稳定性和成本考虑如何控制材料级进步转化为实际的太阳能制氢。最后，强调了对标准化和可扩展设备体系结构的需求。

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引用次数: 0

Bypass regulation strategy for an intermediate fluid thermal management system of a hydrogen turboprop engine at ground idle 氢涡桨发动机地面怠速时中间流体热管理系统的旁通调节策略

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-25 DOI: 10.1016/j.ijhydene.2026.156189

Yilin Ye, Shanlin Liu, Xin Gong, Ruxin Zhong, Shicong Zheng, Jun Cao, Weihua Yang

Precise control of hydrogen supply temperature is critical for ensuring the safe and efficient operation of hydrogen aero-engines. This study investigates a thermal management system (TMS) employing intermediate cycle heat exchange (ICHE) and a bypass regulation strategy to mitigate the hydrogen temperature surge during ground idle. Evaluated via one-dimensional dynamic simulation and semi-physical experiments, the strategy shows that without regulation, an 82% reduction in hydrogen flow rate causes the supply temperature to surge to 606 K. By redistributing the intermediate fluid, the bypass strategy breaks localized thermal saturation, reducing the peak to 318 K, a 48% decrease, safely below the 323 K limit. A nitrogen-hydrogen surrogate correlation is established for safe experimentation. Experiments further reveal a critical nonlinear hysteresis: effective flow diversion begins only at 75% valve opening. This corrects idealized one-dimensional models that overestimate actuator response and underscores the need to incorporate actual valve characteristics for robust thermal management.

精确控制供氢温度是保证氢能航空发动机安全高效运行的关键。本研究研究了一种热管理系统（TMS），该系统采用中间循环换热（ICHE）和旁路调节策略来缓解地面空闲时的氢温度波动。通过一维动态模拟和半物理实验评估，该策略表明，在没有调节的情况下，氢气流速降低82%会导致供应温度飙升至606 K。通过重新分配中间流体，旁路策略打破了局部热饱和度，将峰值降低到318 K，降低了48%，安全低于323 K的限值。为了安全实验，建立了氮-氢替代相关性。实验进一步揭示了一个临界非线性滞后：只有在75%的阀门开度时才开始有效的分流。这纠正了理想化的一维模型，高估了执行器的响应，并强调需要结合实际的阀门特性，以实现强大的热管理。

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引用次数: 0

The multi-objective optimization of heat exchanger network in methanol steam reforming system for hydrogen production 甲醇蒸汽重整制氢系统换热器网络的多目标优化

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-23 DOI: 10.1016/j.ijhydene.2026.156022

Biao Hu, Pengyu Xu, Xusheng Zhang, Yifan Zhang, Decheng Xiang, Daofan Cao, Li Weng, Fenghao Jiang, Ke Liu

Commercial on-line methanol-to-hydrogen systems require high efficiency, low cost and high integration. An automated Aspen Plus–MATLAB–NSGA-II framework is developed for heat exchanger network retrofit in an on-line hydrogen production system. The framework simultaneously optimizes heat exchanger network topology and key operating parameters, enabling coupled thermodynamic and economic optimization under mixed discrete–continuous constraints. Total heat-transfer area, levelized cost of hydrogen and system efficiency are selected as objective functions. Compared with the existing system, the optimized retrofit schemes increase system efficiency by 21.61–23.82 percentage points and reduce levelized cost of hydrogen by 1.36–1.54 $/kg. The Pareto-optimal schemes reveal the coupling mechanism between system configuration and operating parameters, providing an optimization method and decision basis for future energy system design and optimization.

商业在线甲醇制氢系统要求效率高、成本低、集成度高。开发了用于在线制氢系统热交换器网络改造的自动化Aspen Plus-MATLAB-NSGA-II框架。该框架可同时优化换热器网络拓扑结构和关键运行参数，实现离散-连续混合约束下的热力和经济耦合优化。以总传热面积、氢气平准化成本和系统效率为目标函数。与现有系统相比，优化后的改造方案使系统效率提高21.61 ~ 23.82个百分点，氢气平准化成本降低1.36 ~ 1.54美元/kg。帕累托最优方案揭示了系统结构与运行参数之间的耦合机理，为未来能源系统的设计与优化提供了优化方法和决策依据。

引用次数: 0

Thermoeconomic, parametric, exergoeconomic, and advanced exergy analyses of protonic ceramic fuel cell/gas turbine hybrid systems under different layouts and fuels 质子陶瓷燃料电池/燃气轮机混合系统在不同布局和燃料下的热经济性、参数经济性、燃烧经济性和先进的火用分析

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-24 DOI: 10.1016/j.ijhydene.2026.156176

Huichao Zhu, Pan Zhao, Zhaochun Shi, Ning Ma, Aijie Liu, Weihan Xue

Fuel cell/gas turbine hybrid systems represent highly efficient clean power generation technologies. Herein, the integration mechanisms of protonic ceramic fuel cells with gas turbines under H₂ and NH₃ fuels are investigated. Six integration modes are proposed and refined into 20 layouts, yielding 40 validated thermoeconomic models. Comprehensive thermoeconomic, parametric, exergoeconomic, and advanced exergy analyses are conducted, supported by a multi-indicator evaluation framework for systematic comparison. Results indicate that Layout A1 achieves the best overall performance (0.808/0.784 under equal/entropy weighting), while C4, D3, and E3 underperform. Twenty H₂-fueled systems demonstrate higher thermodynamic performance but lower cost-effectiveness than NH₃-fueled systems. The stack exhibits a high exergoeconomic factor (64.65%∼79.31%), while combustors and heat exchangers show lower values. Switching fuel improves non-stack component exergoeconomic factors and reduces unit exergy costs. Unlike conventional exergy analysis, average avoidable exergy destruction is 29.67% (H₂-fueled) and 38.40% (NH₃-fueled). Heat exchangers show high exogenous destruction, while others are endogenous-dominated.

燃料电池/燃气轮机混合系统代表了高效清洁的发电技术。本文研究了质子陶瓷燃料电池与燃气轮机在H2和NH3燃料下的集成机理。提出了6种集成模式，并将其细化为20种布局，产生了40种经过验证的热经济模型。综合热经济，参数，火用经济和先进的火用分析进行，支持多指标评价框架进行系统比较。结果表明，布局A1的综合性能最佳（等熵加权下为0.808/0.784），而布局C4、布局D3和布局E3的综合性能较差。20种以h2为燃料的系统表现出更高的热力学性能，但成本效益低于以nh3为燃料的系统。烟囱表现出较高的燃烧经济系数（64.65% ~ 79.31%），而燃烧器和热交换器表现出较低的数值。转换燃料提高了非堆组件的运行经济性因素，降低了单位运行成本。与传统的火用分析不同，平均可避免的火用破坏为29.67% （h2燃料）和38.40% （nh3燃料）。热交换器表现出高外源破坏，而其他热交换器则以内源破坏为主。

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引用次数: 0

Performance evaluation and optimization of a novel combined heating and power cogeneration system integrated with methane-fueled solid oxide fuel cell and modified Kalina cycle 甲烷燃料固体氧化物燃料电池与改良Kalina循环相结合的新型热电联产系统性能评价与优化

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-25 DOI: 10.1016/j.ijhydene.2026.156246

Xinxin Lei, Daifen Chen, Wei Kong, Yan Xiao, Zhenlong Fang, Jitian Han, Nikita Bazarkin, Huailiang You

This study proposes a novel cogeneration system that integrates a methane-fueled solid oxide fuel cell, a gas turbine, and a modified Kalina cycle. Comprehensive mathematical model is developed, facilitating an in-depth analysis of thermodynamic, economic, and environmental performance. The results indicate that the proposed system generates an electrical output of 286.28 kW and a thermal output of 51.94 kW. The system energy and exergy efficiencies reach 72.09 % and 79.67 %, and the total system cost rate is 21.65 $/h, including a CO₂ emission cost of 1.93 $/h. Furthermore, multi-objective optimization reveals that under the first scenario, the system optimal energy and exergy efficiencies are improved to 76.87 % and 81.62 % (Point B), and the cost rate is reduced from 21.65 $/h to 19.78 $/h. Under the second scenario, the system total cost per unit exergy is reduced from 23.68 $/GJ to 22.18 $/GJ, with more modest efficiency gains.

本研究提出了一种新型热电联产系统，该系统集成了以甲烷为燃料的固体氧化物燃料电池、燃气轮机和改进的Kalina循环。开发了全面的数学模型，便于深入分析热力学，经济和环境性能。结果表明，该系统产生286.28 kW的电输出和51.94 kW的热输出。系统能量效率和火用效率分别达到72.09 %和79.67 %，系统总成本率为21.65美元/小时，其中CO2排放成本为1.93美元/小时。此外，多目标优化表明，在第一种方案下，系统的最优能量效率和火用效率分别提高到76.87 %和81.62 % （B点），成本率从21.65美元/小时降低到19.78美元/小时。在第二种情况下，系统每单位能量的总成本从23.68美元/GJ降至22.18美元/GJ，效率提高幅度较小。

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引用次数: 0

Investigation of mixture formation time on stratified hydrogen combustion by acetone PLIF 丙酮PLIF分层氢燃烧混合气形成时间的研究

IF 9.2 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy

Pub Date : 2026-07-20 Epub Date: 2026-06-25 DOI: 10.1016/j.ijhydene.2026.156105

Youngmin Ki, Jungho Justin Kim, Heetae Yang, Joonsik Hwang, Choongsik Bae

This study investigates the effect of mixture formation time on hydrogen jet evolution, quantitative mixture distribution, and subsequent combustion characteristics in a constant-volume combustion chamber. Acetone-based planar laser-induced fluorescence (PLIF) was employed to obtain spatially resolved equivalence ratio distributions via three-dimensional reconstruction and calibration. These measurements were directly correlated with pressure-based combustion metrics, schlieren imaging, and OH∗ chemiluminescence. The results indicate that shorter mixture formation times produce highly stratified mixtures, characterized by locally rich regions near the igniter. This leads to faster ignition, shorter combustion duration, and higher heat release. In contrast, longer mixture formation times result in more homogeneous and lean mixtures, leading to slower combustion and reduced reaction intensity. These findings demonstrate that mixture distribution is a key parameter governing stratified hydrogen combustion.

本文研究了在定容燃烧室中，混合气形成时间对氢射流演化、混合气定量分布及后续燃烧特性的影响。利用丙酮基平面激光诱导荧光（PLIF）技术，通过三维重建和标定得到空间分辨的等效比分布。这些测量结果与基于压力的燃烧指标、纹影成像和OH *化学发光直接相关。结果表明，较短的混合物形成时间产生了高度分层的混合物，其特征是在点火器附近的局部富集区域。这导致更快的点火，更短的燃烧持续时间，和更高的热量释放。相反，较长的混合物形成时间导致混合物更加均匀和稀薄，从而导致燃烧减慢和反应强度降低。这些结果表明，混合气分布是控制分层氢燃烧的关键参数。

引用次数: 0