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Reactive interaction between CH4 and FeO at high temperature: A ReaxFF molecular dynamics simulation 高温下CH4与FeO的反应相互作用:ReaxFF分子动力学模拟
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.ijhydene.2026.153675
Yushan Bu, Kejiang Li, Zeng Liang, Chunhe Jiang, Zhengjian Liu, Jianliang Zhang
Understanding the microscopic mechanisms governing methane–iron oxide interactions is essential for advancing low-carbon metallurgical and catalytic processes. However, the atomic-scale pathways of methane activation, lattice oxygen removal, and interfacial carbon accumulation during CH4–FeO gas–solid reactions remain insufficiently understood. In this study, we employ large-scale reactive molecular dynamics simulations based on the ReaxFF framework to explore the high-temperature CH4–FeO interaction, with a particular focus on the coupling among atomic diffusion, charge transfer, and interfacial reaction dynamics.
The simulations reveal that methane-induced reduction initiates at the gas–solid interface and propagates inward through progressive lattice oxygen depletion, consistent with the moving reaction-front assumption of the unreacted-core model. CH4 molecules undergo catalytic dissociation on the FeO surface, generating reactive intermediates such as H* and CH3 that actively participate in surface reduction reactions. Charge distribution and self-diffusion analyses demonstrate that hydrogen exhibits high interfacial mobility and efficiently promotes oxygen removal from the FeO lattice, whereas carbon remains largely confined near the interface, leading to localized carbon accumulation.
Within the ultrathin metallic Fe layers formed during the simulations (on the order of ∼10 Å), oxygen-containing species exhibit an apparent multi-regime migration behavior. This behavior reflects atomic-scale transport under defect-free conditions and should be interpreted as a microscopic feature of the simulated system. In practical reduction processes involving thicker metallic layers, oxygen transport is expected to be dominated by macroscopic defects such as pores and cracks rather than bulk diffusion through metallic iron. Although the accessible simulation timescale limits the direct observation of long-term product evolution, the present results capture the essential atomic-scale characteristics of the CH4–FeO reduction pathway and provide mechanistic insight into interface-controlled reduction and carbon deposition phenomena observed experimentally. Future work will extend the simulations to longer timescales and more realistic reaction environments, including multi-component gas mixtures (CH4–CO–H2–H2O) and coupled temperature–pressure conditions, while integrating molecular dynamics with controlled experiments to further validate and refine the proposed mechanisms.
了解控制甲烷-氧化铁相互作用的微观机制对于推进低碳冶金和催化过程至关重要。然而,在CH4-FeO气固反应过程中,甲烷活化、晶格氧去除和界面碳积累的原子尺度途径仍未得到充分的了解。在这项研究中,我们采用基于ReaxFF框架的大规模反应分子动力学模拟来探索CH4-FeO的高温相互作用,特别关注原子扩散,电荷转移和界面反应动力学之间的耦合。模拟结果表明,甲烷诱导的还原始于气固界面,并通过逐渐的晶格氧耗尽向内传播,这与未反应核模型的移动反应前沿假设相一致。CH4分子在FeO表面进行催化解离,生成活性中间体,如H*和CH3−,积极参与表面还原反应。电荷分布和自扩散分析表明,氢具有较高的界面迁移率,可以有效地促进氧从FeO晶格中去除,而碳则主要被限制在界面附近,导致局部碳积累。在模拟过程中形成的超薄金属铁层内(约为~ 10 Å),含氧物质表现出明显的多态迁移行为。这种行为反映了无缺陷条件下的原子尺度输运,应该被解释为模拟系统的微观特征。在涉及较厚金属层的实际还原过程中,氧的输运被宏观缺陷(如孔隙和裂纹)所主导,而不是通过金属铁的整体扩散。尽管可获得的模拟时间尺度限制了对长期产物演化的直接观察,但目前的结果捕获了CH4-FeO还原途径的基本原子尺度特征,并为实验观察到的界面控制还原和碳沉积现象提供了机制见解。未来的工作将把模拟扩展到更长的时间尺度和更真实的反应环境,包括多组分气体混合物(CH4-CO-H2-H2O)和耦合温度-压力条件,同时将分子动力学与控制实验相结合,进一步验证和完善所提出的机制。
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引用次数: 0
Coupled full-field hydrodynamic–geomechanical assessment of sequential CO2 cushioning and cyclic hydrogen storage in a UKCS depleted gas reservoir UKCS枯竭气藏连续CO2缓冲和循环储氢的耦合现场水动力-地质力学评价
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.ijhydene.2026.153625
Prashant Jadhawar, Ekene Onyejiuwa
Hydrodynamic and geomechanical evaluations of underground hydrogen (H2) and carbon dioxide (CO2) storage are performed using a full-field history-matched model of a depleted gas reservoir located in the Southern North Sea (SNS) of the UK Continental Shelf (UKCS). H2 injection and production (optimised rates 120 MMscf/d and 78 MMscf/d, respectively) in cyclic mode for a period of 9 years following the initial 2-year CO2 cushion gas injection period resulted in 82 % H2 recovery in the cyclic scheme. The geomechanical investigations revealed minor vertical displacement (uplift) less than 0.35 ft, low slip tendencies (<0.20), and faults requiring an additional pressure of 1200 to 2450 psi to trigger fault failure, all safely below the thresholds. These comparative novel findings confirm that this UKCS–SNS reservoir can be geomechanically safely repurposed for CO2 and H2 storage within the same geological formation, whether deployed separately or sequentially (cyclically).
利用位于英国大陆架(UKCS)北海南部(SNS)的枯竭气藏的全气田历史匹配模型,对地下氢气(H2)和二氧化碳(CO2)储存进行了流体力学和地质力学评估。在最初的2年二氧化碳缓冲注气期之后,在循环模式下进行了9年的H2注入和生产(优化速率分别为120 MMscf/d和78 MMscf/d),循环方案中H2回收率为82%。地质力学研究表明,该区域的垂直位移(隆起)较小,小于0.35英尺,有低滑动倾向(<0.20),断层需要1200 ~ 2450 psi的额外压力才能触发断层破裂,所有这些都低于阈值。这些比较新颖的发现证实,无论是单独部署还是顺序(循环)部署,UKCS-SNS储层都可以在地质力学上安全地重新用于同一地质地层中的二氧化碳和氢气储存。
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引用次数: 0
Cost efficiency in clean urban mobility: TCO breakdown of hydrogen and electric buses in the European Union with projections for 2030 and 2050 清洁城市交通的成本效益:2030年和2050年欧盟氢能源和电动公交车的TCO分解预测
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.ijhydene.2026.153615
Pier Paolo Brancaleoni , Andrea Nicolò Damiani Ferretti , Enrico Corti , Francesco Bellucci , Davide Moro
The decarbonization of urban public transport is a key objective of European climate and energy policies, driving the adoption of alternative propulsion technologies for city buses. Battery-electric and hydrogen-based powertrains are among the most promising solutions for greenhouse gases abatement, however, even economic competitiveness, which depends on technology evolution, energy costs, and vehicle design characteristics, must be evaluated. This paper presents a Total Cost of Ownership (TCO) analysis of urban buses equipped with four different propulsion systems: battery electric, and three hydrogen-based concepts. The analysis is performed for the whole European market under three temporal scenarios: 2024, 2030, and 2050. Key factors such as vehicle mass and the number of major component replacements over the vehicle lifetime are explicitly considered. The results indicate that the most cost-effective powertrain varies across scenarios, demonstrating that no single technology is universally optimal, emphasizing the importance of scenario-dependent evaluations for strategic planning.
城市公共交通的脱碳是欧洲气候和能源政策的一个关键目标,推动城市公交车采用替代推进技术。电池电力和氢动力系统是最有希望减少温室气体排放的解决方案之一,然而,甚至取决于技术发展、能源成本和车辆设计特性的经济竞争力也必须进行评估。本文介绍了配备四种不同推进系统的城市公交车的总拥有成本(TCO)分析:电池电动和三种氢动力概念。该分析是在三个时间情景下对整个欧洲市场进行的:2024年、2030年和2050年。关键因素,如车辆质量和主要部件的更换次数在车辆的生命周期明确考虑。研究结果表明,在不同的场景下,最具成本效益的动力系统是不同的,这表明没有一种技术是普遍最优的,这强调了基于场景的评估对战略规划的重要性。
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引用次数: 0
A novel gas/water surface complexation model considering the effect of pressure, temperature, pH, and ionic composition, for potential application in underground hydrogen storage 考虑压力、温度、pH和离子组成影响的新型气/水表面络合模型在地下储氢中的潜在应用
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.ijhydene.2026.153536
Hamed Farhadi, Mobeen Fatemi
Large-scale underground hydrogen storage (UHS) offers a pathway to secure, low-carbon energy systems. However, accurate prediction of gas/water interfacial properties, which is central to modeling hydrogen migration, trapping, and withdrawal, has remained a fundamental challenge. Current gas/water surface complexation models (SCMs) fail to capture the combined effects of pressure, temperature, salinity, ion composition, and gas type. In this work, a novel diffuse-layer SCM is presented that introduces weak adsorption sites arising from dipole-induced interactions between gas molecules and water species. The pressure effect is incorporated into the SCM through changes in surface site density, predicted from gas compressibility. Also, the temperature dependency is incorporated in the SCM using the van't Hoff relation with optimized enthalpies for capturing surface protonation and deprotonation reactions. The proposed SCM successfully reproduced experimental ζ potentials of H2, N2, O2, and air bubbles over wide ranges of pH (2–12), salinity (10−7–1 M NaCl), and ionic composition by adjusting equilibrium constants. Using the same calibrated model, the SCM was then able to predict the gas/water ζ potential under varying pressure (up to 400 kPa) and temperature (6–40 °C) without further fitting. Finally, the SCM was applied to typical subsurface systems (high pressure, high temperature, elevated salinity conditions) to interpret hydrogen withdrawal recovery from carbonate and sandstone reservoirs. It was shown that in quartz-rich sandstones, hydrogen recovery can be more efficient at high pressures and low temperatures, whereas in calcite-rich carbonates, both high pressure and high temperature could favor recovery. Furthermore, variations in water chemistry can remarkably alter the sensitivity of hydrogen recovery to pressure and temperature.
大规模地下储氢(UHS)为安全、低碳的能源系统提供了一条途径。然而,准确预测气/水界面性质仍然是一个根本性的挑战,这是模拟氢气迁移、捕获和提取的核心。目前的气/水表面络合模型(SCMs)无法捕捉压力、温度、盐度、离子组成和气体类型的综合影响。在这项工作中,提出了一种新的扩散层SCM,它引入了由气体分子和水之间偶极子诱导的相互作用产生的弱吸附位点。通过气体可压缩性预测的表面位置密度变化,将压力效应纳入SCM中。此外,利用范霍夫关系和优化的焓,将温度依赖性纳入SCM中,以捕获表面质子化和去质子化反应。所提出的SCM通过调整平衡常数成功地再现了H2, N2, O2和气泡在pH(2-12),盐度(10−7-1 M NaCl)和离子组成的宽范围内的实验ζ电位。使用相同的校准模型,SCM然后能够在不同的压力(高达400千帕)和温度(6-40°C)下预测气/水ζ电位,而无需进一步拟合。最后,将SCM应用于典型的地下系统(高压、高温、高盐度条件),以解释碳酸盐岩和砂岩储层的提氢采收率。结果表明,在富含石英的砂岩中,高压和低温下的氢回收效率更高,而在富含方解石的碳酸盐中,高压和高温都有利于氢的回收。此外,水化学的变化可以显著改变氢气回收对压力和温度的敏感性。
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引用次数: 0
Solar enhanced photothermal synergies regulate the reaction path towards efficient dry reforming of methane on RuO2/CeO2 太阳增强的光热协同作用调节了甲烷在RuO2/CeO2上高效干重整的反应路径
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-27 DOI: 10.1016/j.ijhydene.2026.153660
Fei Wang , Shule Liu , Jianfeng Lu , Yukun Hu , Jing Ding , Weilong Wang
Dry reforming of methane (DRM) has emerged as an efficient approach to reducing greenhouse gas emissions while producing key industrial feedstocks. However, the industrial deployment of DRM has been impeded by severe challenges in conventional thermal catalysis, particularly carbon deposition and competing side reactions. Herein, we report 1.0 % RuO2/CeO2 as a highly effective anti-coke catalyst that achieves remarkable yields of H2 (∼292.3 mmolgcat−1h−1) and CO (∼350.4 mmolgcat−1h−1). This catalyst shows stable performance over 100 h under simulated solar irradiation at 650 °C with negligible carbon deposition. Notably, the integration of photothermal synergistic catalysis not only lowers the operating temperature required for CO2 and CH4 conversion but also suppresses competing side reactions, resulting in a ∼40 % higher syngas yield compared to pure thermal conditions. The integration of in situ infrared spectroscopic analysis with theoretical modeling demonstrates that photothermal synergy enhances the activation of CH4 identified as the rate-limiting step, as well as the selective oxidation of the CH3* intermediate to CH3O* without the formation of coke. This synergetic effect is believed to be responsible for the catalyst's excellent stability over extended operation. This study provides new ideas for the industrial utilization of carbon resources at high value.
甲烷干重整(DRM)已成为一种有效的方法,以减少温室气体排放,同时生产关键的工业原料。然而,DRM的工业部署一直受到传统热催化方面的严峻挑战,特别是碳沉积和竞争性副反应。在这里,我们报道了1.0%的RuO2/CeO2作为一种高效的抗焦催化剂,可以获得显著的H2 (~ 292.3 mmolgcat−1h−1)和CO (~ 350.4 mmolgcat−1h−1)的产率。该催化剂在650℃的模拟太阳照射下表现出100 h的稳定性能,碳沉积可以忽略不计。值得注意的是,光热协同催化的集成不仅降低了CO2和CH4转化所需的工作温度,而且还抑制了竞争性副反应,与纯热条件相比,合成气产量提高了约40%。现场红外光谱分析与理论模型的结合表明,光热协同作用增强了被确定为限速步骤的CH4的活化,以及CH3*中间体选择性氧化成ch30 *而不形成焦炭。这种协同效应被认为是催化剂在长时间运行中具有优异稳定性的原因。本研究为高价值碳资源的工业利用提供了新的思路。
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引用次数: 0
Exploring the role of bimetallic catalysts in methane Bi-reforming for hydrogen-rich syngas production: Insights from a bibliometric study 探索双金属催化剂在甲烷双重整富氢合成气生产中的作用:来自文献计量学研究的见解
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-26 DOI: 10.1016/j.ijhydene.2026.153531
Irna Haslina Ibrahim , Mohamad Jamil Arif Mansor , Herma Dina Setiabudi , Nurul Aini Razali , Dewi Selvia Fardhyanti , Minh An Tran Nguyen , Siti Jamilatun , Sumaiya Zainal Abidin
This study presents a comprehensive evaluation of bi-refiorming of methane (BRM), combining bibliometric analysis (2019–mid-2024) with a technical review of thermodynamics, mechanisms, and catalyst design. Bibliometric mapping revealed a significant research gap regarding the dual role of bimetallic species in active sites and supports. Specifically, there is a lack of systematic reviews addressing the dual role of bimetallic species and supports. Technical review confirms BRM feasibility at high temperatures, identifying CH4 activation and oxygen dynamics as the rate-controlling step. The catalytic review demonstrates that bimetallic catalysts and doped supports enhance active-site dispersion, oxygen storage and mobility, and coke resistance compared with monometallic systems, yielding improved activity and stability. This work advocates for consistent reporting of performance metrics (conversion, H2/CO, carbon deposition rate, time-on-stream). By bridging bibliometric trends with technical insights, this work provide roadmap in the development of a more stable, sustainable catalyst system for efficient syngas production.
本研究结合文献计量学分析(2019 -2024年中期)和热力学、机理和催化剂设计的技术综述,对甲烷双重整(BRM)进行了综合评价。文献计量图谱揭示了双金属在活性位点和支撑物中的双重作用。具体来说,目前缺乏系统的综述,以解决双金属物种和支持的双重作用。技术评审确认了BRM在高温下的可行性,确定了CH4活化和氧动力学是控制速率的步骤。催化评价表明,与单金属体系相比,双金属催化剂和掺杂载体增强了活性位点分散、氧储存和迁移性以及抗焦性,从而提高了活性和稳定性。这项工作提倡一致的绩效指标报告(转化率、H2/CO、碳沉积速率、流上时间)。通过将文献计量学趋势与技术见解相结合,这项工作为开发更稳定、可持续的催化剂系统提供了路线图,以实现高效合成气生产。
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引用次数: 0
Continuous hydrogenation of the hydrogen storage compound benzyltoluene in a trickle-bed reactor – influence of mass transfer and optimization strategies 储氢化合物苄基甲苯在滴床反应器中连续加氢——传质影响及优化策略
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-25 DOI: 10.1016/j.ijhydene.2026.153617
Joshua Lippert , Peter Wasserscheid , Michael Geißelbrecht
The liquid organic hydrogen carrier (LOHC) technology enables hydrogen (H2) storage and transport using the existing infrastructure for liquid fuels. The core of the technology is the reversible catalytic hydrogenation and dehydrogenation of hydrogen-lean and hydrogen-rich LOHC components. The LOHC system benzyltoluene (H0-BT)/perhydro benzyltoluene (H12-BT) has found special interest due to its wide liquid range, high thermal robustness and excellent technical availability. The hydrogenation of H0-BT is a multiphase reaction that includes a solid catalyst, liquid H0-BT and gaseous hydrogen. For the technical implementation of such a reaction a trickle-bed reactor (TBR) is the typical choice. However, the design and modelling of such a TBR is complex as it requires a deep understanding of the hydrodynamics and mass transfer characteristics in the system. Therefore, empirical data are required to develop suitable models for the design of TBR, which have so far been missing in the literature. This is the aim of this study that first elucidated that initial flooding of the catalyst bed is crucial to establish the catalytic activity of the hydrogenation reactor in a reproducible manner. Furthermore, the influences of temperature, process pressure (pprocess), H0-BT concentration and residence time on the hydrogenation activity have been established. The influence of hydrogen partial pressure (pH2) on the observable hydrogenation rate has been found surprisingly low, which is due to mass transfer limitations in the reactor. Based on this finding, optimization strategies are proposed and evaluated.
液态有机氢载体(LOHC)技术可以利用现有的液体燃料基础设施来储存和运输氢气。该技术的核心是贫氢和富氢LOHC组分的可逆催化加氢和脱氢。苯基甲苯(H0-BT)/过氢苯基甲苯(H12-BT) LOHC体系因其广泛的液体范围、高热稳定性和出色的技术可用性而受到特别关注。H0-BT的加氢是一个多相反应,包括固体催化剂、液体H0-BT和气态氢。对于这种反应的技术实现,滴流床反应器(TBR)是典型的选择。然而,这种TBR的设计和建模是复杂的,因为它需要对系统中的流体力学和传质特性有深入的了解。因此,需要经验数据来开发合适的TBR设计模型,这是目前文献中缺失的。这是本研究的目的,首先阐明了催化剂床的初始淹水对于以可重复的方式建立加氢反应器的催化活性至关重要。此外,还确定了温度、工艺压力(pprocess)、H0-BT浓度和停留时间对加氢活性的影响。氢分压(pH2)对可观察到的加氢速率的影响非常小,这是由于反应器中的传质限制所致。基于这一发现,提出并评价了优化策略。
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引用次数: 0
A multi-dimensional assessment framework for hydrogen-powered aviation: Carbon reduction and economic feasibility with insights from a regional case study 氢动力航空的多维评估框架:基于区域案例研究的碳减排和经济可行性
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-25 DOI: 10.1016/j.ijhydene.2026.153403
Linfeng Liu , Filbert H. Juwono
Aviation decarbonization requires system-level assessment that extends beyond aircraft performance to include upstream fuel production, transport, and infrastructure constraints. Existing studies typically examine life-cycle emissions or techno-economic feasibility in isolation, which limits comparability across hydrogen pathways under aviation-specific conditions. This study develops a unified life-cycle assessment, techno-economic analysis, and multi-criteria decision analysis framework to enable consistent route-level evaluation of hydrogen-powered aviation from a decision-oriented perspective. Applied to the Hong Kong–Beijing medium-haul corridor, the framework quantifies life-cycle cost, carbon emissions, and system-level energy efficiency for grey, blue, and green hydrogen across multiple transport configurations under uncertainty. Results indicate that pathway performance is primarily governed by hydrogen production cost, infrastructure energy intensity, and system-level efficiency assumptions. Grey and blue hydrogen may offer near-term economic feasibility with limited carbon benefits, whereas green hydrogen achieves substantial emission reduction only under coordinated efficiency improvements and supportive policy conditions. The framework is transferable and intended to support pathway selection, infrastructure planning, and policy evaluation for hydrogen aviation.
航空脱碳需要系统级评估,而不仅仅是飞机性能,还包括上游燃料生产、运输和基础设施限制。现有的研究通常孤立地考察生命周期排放或技术经济可行性,这限制了航空特定条件下氢途径的可比性。本研究建立了统一的全生命周期评估、技术经济分析和多准则决策分析框架,以实现决策导向视角下氢动力航空航线级评价的一致性。应用于香港-北京中程走廊,该框架量化了不确定性下多种运输配置下灰氢、蓝氢和绿氢的生命周期成本、碳排放和系统级能源效率。结果表明,路径性能主要受制氢成本、基础设施能源强度和系统级效率假设的影响。灰氢和蓝氢可能在有限的碳效益下提供短期经济可行性,而绿氢只有在协调的效率提高和政策支持条件下才能实现大幅减排。该框架是可转让的,旨在支持氢航空的路径选择、基础设施规划和政策评估。
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引用次数: 0
Investigation of hydrogen jet morphology in a confined space via the schlieren technique 用纹影技术研究密闭空间中氢射流的形貌
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-25 DOI: 10.1016/j.ijhydene.2026.153637
Bing Shen , Xinhai Li , Min Yan , Yuxin Huang , Fayi Yan , Xiang'an Kong , Yong Cheng , Lu Wang
Hydrogen's unique properties pose significant leakage risks during storage and transport. Understanding jet morphology in confined spaces is crucial for safety. This study employs a high-precision schlieren setup within a constant-volume vessel to systematically investigate how nozzle diameter, injection pressure, back pressure, and flow rate affect hydrogen jet evolution. Experiments reveal three characteristic flow regimes: laminar, transitional, and turbulent. Quantitative analysis shows the jet spreading angle increases with mass flow rate, injection pressure, and nozzle diameter but decreases with back pressure. Conversely, laminar length increases with back pressure and nozzle diameter yet decreases with flow rate. A non-monotonic relationship was observed between laminar length and injection pressure, peaking at a specific value. These findings provide critical insights for the safety design of hydrogen storage tanks and transport systems.
氢的独特性质在储存和运输过程中带来了巨大的泄漏风险。了解密闭空间中的射流形态对安全至关重要。本研究采用高精度纹影装置,在定容容器内系统地研究了喷嘴直径、喷射压力、背压和流量对氢气射流演化的影响。实验揭示了三种特征流型:层流、过渡流和湍流。定量分析表明,射流扩散角随质量流量、喷射压力和喷嘴直径的增大而增大,随背压的增大而减小。相反,层流长度随背压和喷嘴直径的增大而增大,随流量的增大而减小。层流长度与注入压力之间存在非单调关系,在特定值处达到峰值。这些发现为氢储罐和运输系统的安全设计提供了重要的见解。
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引用次数: 0
Biohydrogen production in a modified anaerobic moving bed biofilm reactor (AMBBR) using beetroot carrot pulp waste 改良厌氧移动床生物膜反应器(AMBBR)利用甜菜根胡萝卜纸浆废渣生产生物氢
IF 8.3 2区 工程技术 Q1 CHEMISTRY, PHYSICAL Pub Date : 2026-01-24 DOI: 10.1016/j.ijhydene.2026.153658
Mogopoleng P. Chego , Craig M. Sheridan , Kevin G. Harding
Anaerobic moving bed biofilm reactors (AMBBRs) struggle to maintain high-yield microbes due to hydraulic washouts. This study introduces a modified AMBBR with a novel concentric radial baffle and effluent recycling to enhance biohydrogen (bioH2) production. Tested against conventional configurations: CSTR, standard AMBBR, AMBBR with a baffle, and modified AMBBR with recycling, the modified AMBBR with recycling achieved the highest H2 volume (875 mL), production rate (4.61 mmol H2/L·h), and yield (1.8 mol H2/mol hexose) using beetroot-carrot pulp waste (BCPW) hydrolysate. The baffle design improved mixing, mass transfer, and biomass retention, reducing dead zones, while recycling further stabilised the reactor. Clostridia dominated as H2 producers at a pH of 5.5–5.8, with microbial succession fostering efficient H2-producing pathways. Chloroflexi, Proteobacteria, and Bacteroidota presence suggested enhanced metabolic efficiency and reduced methane (CH4) co-production. These results indicate that a compact, dense AMBBR with radial baffles holds promise for scalable, sustainable bioH2 production.
由于水力冲刷,厌氧移动床生物膜反应器(AMBBRs)难以维持高产微生物。本研究介绍了一种具有新型同心径向挡板和废水回收的改性AMBBR,以提高生物氢(bioH2)的产量。对常规配置:CSTR、标准AMBBR、带折流板AMBBR和改性AMBBR进行了测试,改性AMBBR回收利用甜菜根胡萝卜浆废液(BCPW)的H2体积(875 mL)、产率(4.61 mmol H2/L·h)和产率(1.8 mol H2/mol己糖)最高。挡板的设计改善了混合、传质和生物质保留,减少了死区,同时回收进一步稳定了反应器。在pH为5.5 ~ 5.8的条件下,梭状芽孢杆菌以产氢为主,微生物演替形成了高效的产氢途径。氯菌、变形菌和拟杆菌的存在表明代谢效率提高,甲烷(CH4)的协同生成减少。这些结果表明,具有径向挡板的紧凑、致密的AMBBR有望实现可扩展、可持续的生物h2生产。
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International Journal of Hydrogen Energy
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