IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-10 DOI: 10.1016/j.fuel.2026.138677

Li Zhan , Shihao Lin , Qihao Deng , Wenshang Chen , Yi Yu , Guangfu Li , Ben Chen

Endowed with merits including fast response speed, high energy conversion efficiency and zero emissions, the proton exchange membrane water electrolyzer (PEMWE) is recognized as a technology with immense potential in the renewable energy domain. It is worth emphasizing that the polarization performance and mass transfer characteristics of PEMWE are crucially affected by the flow field design of its bipolar plates. This study mainly focuses on the improvement of PEMWE performance by metal foam flow field (MFFF). Metal foam structures with three different arrangements were designed and compared with the traditional flow field. The performance and water gas transport characteristics of PEMWE with different pore structure flow fields were analyzed. The results show that both the anode and cathode have a double-layer gradient pore structure, and the MFFF with descending pore size towards the PTL direction has the best performance. At a current density of 3.1A/cm², compared with the parallel flow field, the voltage dropped by 55.6 mV, with a decrease rate of 2.4%. Compared with the serpentine flow field, the voltage dropped by 74.1 mV, with a drop rate of 3.2%. In addition, MFFF with increased pore size in outlet area exhibits superior overall performance, although the performance has not been further improved compared with the former, the pressure drop has been reduced by 50%, demonstrating better gas discharge performance. The results of this study provide valuable theoretical guidance for enhancing the performance of PEMWE.

质子交换膜水电解槽（PEMWE）具有响应速度快、能量转换效率高、零排放等优点，是一项在可再生能源领域具有巨大潜力的技术。值得强调的是，双极板的流场设计对PEMWE的极化性能和传质特性有重要影响。本文主要研究了金属泡沫流场（MFFF）对PEMWE性能的改善。设计了三种不同排列方式的金属泡沫结构，并与传统流场进行了比较。分析了不同孔结构流场下PEMWE的性能及水气输运特性。结果表明：阳极和阴极均具有双层梯度孔隙结构，且孔径向PTL方向递减的MFFF性能最好；在电流密度为3.1A/cm2时，与平行流场相比，电压下降了55.6 mV，下降率为2.4%。与蛇形流场相比，电压下降了74.1 mV，下降率为3.2%。此外，出口区孔径增大的MFFF整体性能更优，虽然与前者相比性能没有进一步提高，但压降降低了50%，气体排放性能更好。研究结果为提高PEMWE的性能提供了有价值的理论指导。

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引用次数: 0

Application of optimized hydrothermal, ozone and superalkali pretreatment techniques for qualitative biogas production from corn straw: A comparative assessment 优化的水热、臭氧和超碱预处理技术在玉米秸秆制质沼气中的应用：比较评价

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-03 DOI: 10.1016/j.fuel.2026.138625

Sifan Cao , Yong-Chen Han , Huqe Farhana , Xiaochang C. Wang , Rong Chen , Yu-You Li , Bao-Shan Xing

Pretreatment methods are prominently used to enhance methane production from any raw materials, with hydrolysis remaining a key bottleneck among such energy-environment balance pretreatment methodologies. This research explored the comparative potency of ozone (solid–liquid ratio-time-ozone dose), hydrothermal (solid–liquid ratio-time–temperature) and super-alkali (superalkali dose-time–temperature) pretreatment on corn straw by employing the required optimizing parameters. Response Surface Methodology (RSM) for each pretreatment processes were corroborated for batch and semi-continuous reactors. Comparing the three pretreatment methods, ozone pretreatment was leading to the utmost amount of methane production of 160.18 mL CH₄/g VS, which was 85.72% higher than that of the untreated group. The results demonstrated that the process leverages ozone’s strong oxidizing capacity to break down lignin, achieving a high delignification rate of 74.2% while retaining substantial fractions of cellulose and hemicellulose. No significant accumulation of phenol was observed following ozone pretreatment, with the system concentration remaining below the inhibitory threshold of 100 mg/L. In semi-continuous reactor, the tolerance to inhibitors and process stability were investigated simultaneously. The ozone-pretreated group exhibited a 7.8% increase in average biogas production, indicating microbial capability to degrade exogenously added inhibitory derivatives. An economic analysis was reviewed to strengthen the lucrative influence of ozone, ozone pretreatment of corn straw resulted in a 56.7% improvement in net profit. These findings indicate that ozone pretreatment can effectively recover resources from waste and improve the value conversion efficiency of waste.

预处理方法主要用于提高任何原料的甲烷产量，而水解仍然是这种能量-环境平衡预处理方法中的关键瓶颈。本研究采用所要求的优化参数，探讨了臭氧（固液比-臭氧剂量）、水热（固液比-时间-温度）和超碱（超碱剂量-时间-温度）预处理玉米秸秆的效果对比。响应面法（RSM）对间歇反应器和半连续反应器各预处理工艺进行了验证。对比三种预处理方法，臭氧预处理最大产甲烷量为160.18 mL CH4/g VS，比未处理组提高85.72%。结果表明，该工艺利用臭氧的强氧化能力分解木质素，达到74.2%的高脱木质素率，同时保留了大量纤维素和半纤维素。臭氧预处理后未观察到苯酚的显著积累，系统浓度保持在100 mg/L的抑制阈值以下。在半连续反应器中，同时考察了对抑制剂的耐受性和工艺稳定性。臭氧预处理组的平均沼气产量增加了7.8%，表明微生物有能力降解外源添加的抑制衍生物。对加强臭氧效益效应的经济分析进行了综述，臭氧预处理玉米秸秆的纯利润提高了56.7%。研究结果表明，臭氧预处理可有效回收废弃物资源，提高废弃物价值转化效率。

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引用次数: 0

Ni-Nb-P composite catalyst for efficient Hydrodeoxygenation of lignin derivatives 木质素衍生物高效加氢脱氧的Ni-Nb-P复合催化剂

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-06 DOI: 10.1016/j.fuel.2026.138548

Chunxia Song , Naidong Li , Hanyu Li , Shaoyun Shan , Yunfei Zhi , Xianghong Li , Fashe Li , Juan Xu

Hydrodeoxygenation (HDO) of biomass-derived oxygenates to alkanes as high-quality fuels is an effective way to reduce dependence on fossil energy sources. However, the presence of a large amount of oxygen in biomass derivatives results in water formation during the catalytic conversion process, leading to a loss of catalyst activity. This presents a significant challenge for the development of effective catalysts. In this study, a novel Ni-Nb-P catalyst was prepared using the “one-pot method”, demonstrating the ability to efficiently convert several common lignin-derived oxygen-containing compounds into alkanes under mild conditions. A series of catalysts were prepared by adjusting the pH and molar ratio of Ni/Nb during the preparation. The Ni-Nb-P catalysts prepared at pH = 2–4 and Ni/Nb = 1.5 showed the optimal HDO performance, achieving > 99% conversion of anisole and a cyclohexane selectivity of 93% at 160 °C. Nb is in the form of an amorphous NbOPO₄ species, and Ni is mainly in the Ni₃P or metallic Ni form. The catalysts feature homogeneous lamellar nanostructures with well-dispersed metal particles. The catalysts are predominantly dominated by moderately strong and strongly acidic centers and the acid center mainly consists of Lewis acid. The HDO of anisole followed the hydrogenation (HYD) pathway, while the HDO of benzaldehyde followed a hydrogenation-hydrogenolysis pathway, with the transfer of a methyl group (TMA) occurring via this pathway. The HDO of phenol occurred exclusively via the hydrogenation pathway. The catalyst exhibits excellent stability and regeneration capabilities, as shown in a 6-run recycling test. This work provides a novel route for the conversion of lignin-derived phenolic compounds to alkane fuels.

将生物质衍生的含氧化合物加氢脱氧制烷烃作为优质燃料是减少对化石能源依赖的有效途径。然而，由于生物质衍生物中存在大量的氧，在催化转化过程中会形成水，导致催化剂活性丧失。这对有效催化剂的开发提出了重大挑战。在本研究中，采用“一锅法”制备了一种新型Ni-Nb-P催化剂，证明了在温和条件下有效地将几种常见木质素衍生的含氧化合物转化为烷烃的能力。在制备过程中通过调节pH和Ni/Nb的摩尔比制备了一系列催化剂。在pH = 2-4和Ni/Nb = 1.5条件下制备的Ni-Nb- p催化剂表现出最佳的HDO性能，在160 ℃条件下，苯甲醚转化率达到99%，环己烷选择性达到93%。Nb以非晶NbOPO4形态存在，Ni主要以Ni3P或金属Ni形态存在。催化剂具有均匀的片层状纳米结构，金属颗粒分散良好。催化剂以中强酸性中心和强酸性中心为主，酸中心以路易斯酸为主。苯甲醚的HDO遵循氢化（HYD）途径，苯甲醛的HDO遵循氢化-氢解途径，甲基（TMA）的转移通过该途径发生。苯酚的HDO完全通过加氢途径发生。6轮循环试验表明，该催化剂具有优异的稳定性和再生能力。这项工作为木质素衍生的酚类化合物转化为烷烃燃料提供了一条新的途径。

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引用次数: 0

Quantitative evaluation of microscale frictional stability in modified asphalts: Insights from chaos dynamics and time-series analysis 改性沥青微尺度摩擦稳定性的定量评价：来自混沌动力学和时间序列分析的见解

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-06 DOI: 10.1016/j.fuel.2026.138664

Xianwen Li , Yizhou Liu , Boyuan Yin , Chongzheng Zhu , Dongzhao Jin , Fu Xu

While asphalt friction critically impacts road safety, existing studies predominantly focus on macroscale properties, leaving microscale dynamic stability mechanisms underexplored. A novel chaos dynamics-based framework integrating AFM friction tests, time-series analysis, and the maximum Lyapunov exponents (MLE) were developed to quantify the stability of modified asphalts in the current work. Four types of asphalt: base asphalt, SBS-modified asphalt (SBS-MA), organic montmorillonite-modified asphalt (OMMT-MA), and titanium dioxide-modified asphalt (TiO₂-MA), were prepared and subjected to rolling thin film oven (RTFO) aging. The experimental results revealed that microscale surface morphology, stick–slip behavior, and dynamic friction stability are significantly influenced by the type and dispersion of modifiers. TiO₂-MA exhibited the smallest friction force fluctuation, lowest pile-up volume, and lowest MLE, indicating the highest dynamic stability. In contrast, OMMT-MA showed weak shear resistance and chaotic frictional behavior due to uneven modifier dispersion. The proposed framework offers a new quantitative approach to characterize and differentiate the frictional performance of modified asphalts, providing mechanistic insights for optimizing asphalt design under dynamic loading conditions.

尽管沥青摩擦对道路安全有着至关重要的影响，但现有的研究主要集中在宏观尺度上，而对微观尺度的动态稳定机制探索不足。在目前的工作中，开发了一种新的基于混沌动力学的框架，集成了AFM摩擦试验、时间序列分析和最大李雅普诺夫指数（MLE），以量化改性沥青的稳定性。制备了基础沥青、sbs改性沥青（SBS-MA）、有机蒙脱土改性沥青（OMMT-MA）和二氧化钛改性沥青（TiO2-MA）四种类型的沥青，并进行了滚动薄膜烘箱（RTFO）老化。实验结果表明，改性剂的种类和分散度对微尺度表面形貌、粘滑行为和动态摩擦稳定性有显著影响。TiO2-MA的摩擦力波动最小，堆积体积最小，MLE最小，动态稳定性最好。相比之下，OMMT-MA由于改性剂分散不均，表现出较弱的剪切抗力和混沌的摩擦行为。所提出的框架提供了一种新的定量方法来表征和区分改性沥青的摩擦性能，为动态加载条件下优化沥青设计提供了机制见解。

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引用次数: 0

A specific strategy for accelerating strength-development rate of self-generated proppants: the gel effect related autoacceleration 加速自生成支撑剂强度发展速率的特定策略：与自加速相关的凝胶效应

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-05 DOI: 10.1016/j.fuel.2026.138620

Xianyan Ren , Zhenyong Li , Yating Chen , Xiaoji Fu , Yirui Zhang , Dan Fang , Xirui Chen , Cheng Bian

The self-generated proppants begin to grow in strength immediately after the liquid–solid phase transition reaction. The growth rate is crucial for their timely development of sufficient compressive strength in fractures to prevent the closure of fractures. The paper proposes a specific strategy, based on the gel effect’s auto-acceleration phenomenon, for accelerating the growth process of self-generated proppants. Based on the DSC curve and viscosity changes during heating, the use of trimethylolpropane triacrylate (TMPTA) as the monomer and divinylbenzene (DVB) as the crosslinking agent to form a phase-changeable liquid (PCL) resulted in significantly increased temperature peaks, heat release, and a sharp rise in viscosity. It is the gel effect that leads to the interaction between the hindered diffusion of reaction heat and the viscosity increase of the reaction system. This interaction results in the auto-acceleration of the polymerization of the PCL, i.e., the acceleration of the growth rate of the self-generated proppant. Remarkably, the self-generated proppant achieves its peak pressure (47.7 N) in just 8 min, and its growth process is unaffected by salinity. The final product demonstrated outstanding performance: near 90% pellet formation yield, excellent resistance to acid (0.2% mass loss), alkali (1.5% mass loss), and salinity (0.2% mass loss), and high compressive strength (3% crushing rate at 69 MPa).

自生支撑剂在液固相变反应后立即开始强度增长。生长速度对它们在裂缝中及时发展足够的抗压强度以防止裂缝闭合至关重要。基于凝胶效应的自加速现象，本文提出了一种加速自生成支撑剂生长过程的具体策略。根据DSC曲线和加热过程中的粘度变化可知，以三丙烯酸三甲基丙烷（TMPTA）为单体，以二乙烯基苯（DVB）为交联剂形成相变液体（PCL），温度峰明显升高，热量释放明显，粘度急剧上升。正是凝胶效应导致了反应热扩散受阻与反应体系粘度增加之间的相互作用。这种相互作用导致PCL聚合的自动加速，即自生成支撑剂的生长速度加快。值得注意的是，自生成支撑剂在8分钟内达到峰值压力（47.7 N），其生长过程不受盐度影响。最终产品表现出优异的性能：接近90%的成球率，优异的耐酸（0.2%质量损失），碱（1.5%质量损失）和盐（0.2%质量损失），高抗压强度（在69 MPa时破碎率为3%）。

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引用次数: 0

Numerical study on the dynamic characteristics of high-pressure hydrogen-oxygen premixed flame in combustion light gas gun 燃烧轻气枪中高压氢氧预混火焰动态特性的数值研究

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-05 DOI: 10.1016/j.fuel.2026.138657

Junjie Lu, Qiuyang Zhao, Keyu Zhao, Tengyu Li, Yechun Wang, Hui Jin, Liejin Guo

The premixed hydrogen–oxygen combustion process in the interior ballistic process of combustion light gas gun (CLGG) exhibits deflagration-detonation transition (DDT) phenomenon, which has a significant impact on the stable combustion. Therefore, studying the dynamic characteristics of high-pressure premixed flames in CLGG is of great significance for understanding the DDT process. In this research, a numerical model was developed to investigate the high-pressure hydrogen–oxygen premixed combustion. The dynamic characteristics of the premixed flame under different working conditions were studied. The results show that the characteristics of flame area changes under different working conditions are obvious. Under the working condition with a single ignition, the flame area increases rapidly at first and then slows down. The increase of ignitions will affect the inflation rate of the flame area. Under the working condition with a single ignition, the inflation rate initially grows slowly and then it decreases. With an increased number of ignitions, the inflation rate increases slowly at first and then it increases rapidly. In addition, the change in inflation rate precedes the change in flame area. The pressure change during the entire combustion process can be divided into two stages, namely a stable stage and an oscillation stage. During the stable stage, the pressure fluctuation amplitude is relatively low, while during the oscillation stage, the pressure oscillation phenomenon is intense and the fluctuation amplitude is large. Under the high-pressure conditions, the hydrogen–oxygen premixed flame cannot maintain stable combustion in the early stage of combustion. Meanwhile, the flame is instable under the influence of Richtmyer-Meshkov instability.

燃烧轻气枪（CLGG）内弹道过程中预混氢-氧燃烧过程出现爆燃-爆轰过渡（DDT）现象，对燃烧的稳定有重要影响。因此，研究高压预混火焰在CLGG中的动态特性对理解DDT过程具有重要意义。本文建立了高压氢氧预混燃烧的数值模拟模型。研究了不同工况下预混火焰的动态特性。结果表明，不同工况下火焰面积变化特征明显。在单点点火工况下，火焰面积先迅速增大后逐渐减小。点火次数的增加会影响火焰面积的膨胀率。在单点点火工况下，膨胀率先缓慢增长后减小。随着点火次数的增加，通货膨胀率开始缓慢增加，然后迅速增加。此外，膨胀率的变化先于火焰面积的变化。整个燃烧过程中的压力变化可分为两个阶段，即稳定阶段和振荡阶段。在稳定阶段，压力波动幅值相对较小，而在振荡阶段，压力振荡现象强烈，波动幅值较大。在高压条件下，氢氧预混火焰在燃烧初期不能保持稳定燃烧。同时，火焰在richmyer - meshkov不稳定性的影响下是不稳定的。

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引用次数: 0

Recent research progress on Ruthenium-based catalysts for electrocatalytic water splitting 钌基电催化水裂解催化剂的研究进展

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-09 DOI: 10.1016/j.fuel.2026.138679

Xi-Zheng Fan , Qing-Qing Pang

Ruthenium (Ru), leveraging their unique electronic structures, have shown tremendous potential in balancing catalytic activity and cost, emerging as a hotspot for electrocatalytic water splitting. In this review, we systematically analyzes the mechanism, advantages, and latest research breakthroughs of Ru-based catalysts. The high intrinsic activity originates from the moderate of hydrogen adsorption and excellent oxygen evolution activity endowed by the variable valence states. To fully unlock Ru potential, research strategies have shifted from macroscale synthesis to atomic-level precise regulation, such as structure modulation, element doping, single-atomization, and composite materials have been developed to significantly enhance its catalytic activity and structural stability. Particularly, based on Ru’s bifunctional properties, the efficient overall water splitting catalysts such as phosphides, sulfides, and various composite materials have been successfully developed. Despite significant achievements, Ru-based catalysts still face challenges in stability, activity enhancement, and large-scale synthesis. Future research will focus on deepening mechanism elucidation, designing new materials with ultra-high performance, and advancing the development toward scalable electrodes. Ru-based catalysts are expected to become one of the key materials driving the realization of hydrogen economy.

钌（Ru）利用其独特的电子结构，在平衡催化活性和成本方面显示出巨大的潜力，成为电催化裂解水的热点。本文系统地分析了钌基催化剂的机理、优点及最新研究进展。高的本征活性源于其适度的氢吸附和变价态所赋予的优异的析氧活性。为了充分释放Ru的潜力，研究策略已经从宏观尺度的合成转向原子水平的精确调控，如结构调制、元素掺杂、单原子化和复合材料的开发，以显着提高其催化活性和结构稳定性。特别是基于钌的双功能特性，成功开发了磷化物、硫化物和各种复合材料等高效整体水裂解催化剂。尽管取得了重大成就，但钌基催化剂在稳定性、活性增强和大规模合成等方面仍面临挑战。未来的研究重点将是深化机理的阐明，设计超高性能的新材料，推进可扩展电极的发展。钌基催化剂有望成为推动氢经济实现的关键材料之一。

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引用次数: 0

Urea decomposition, oxidation, and SNCR: The effect of CO 尿素分解、氧化和SNCR: CO的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-07 DOI: 10.1016/j.fuel.2026.138537

Claudia Pastor-Morell , Hamid Hashemi , Hao Wu , Peter Glarborg , Alberto Cuoci

Urea decomposition and oxidation at high temperatures, along with its interaction with NO in the SNCR process, have been investigated through a combination of flow reactor experiments and detailed chemical kinetic modeling. The experiments were performed at atmospheric pressure using CO(NH₂)₂/H₂O mixtures, investigating the effect of adding O₂, NO, and/or CO. The experiments were highly diluted in N₂ and the temperature was varied from 973 to 1473 K. The reaction mechanism was based on the nitrogen chemistry review by Glarborg et al. (2018), with updates to the amine, HNCO, and N₂O subsets based on more recent studies. Thermal urea decomposition and oxidation experiments were consistent with the theoretical rate constant for gas-phase urea dissociation proposed by Honorien et al. (2021), which deviates significantly from previously used values in SNCR modeling with urea. Adding CO has a similar effect on both urea oxidation and SNCR, shifting the chemistry towards lower temperatures. In the SNCR process, the temperature for maximum NO removal shifted by up to 200 K without compromising the overall reduction efficiency. A breakdown of the plug-flow approximation was observed at elevated temperatures and high CO concentrations, attributed to reactions occurring in the preheating zone, where strong radial temperature gradients are present. Under these conditions, cylindrical shear flow reactor models and full two-dimensional simulations provided more accurate predictions. Overall, the modeling predictions were in good agreement with both the experimental data from this study and literature data.

通过流动反应器实验和详细的化学动力学建模，研究了SNCR过程中尿素在高温下的分解和氧化，以及它与NO的相互作用。实验采用常压下的CO(NH2)2/H2O混合物，考察了O2、NO和/或CO的加入对实验的影响。实验在N2中高度稀释，温度在973 ~ 1473 K之间变化。该反应机制基于Glarborg等人（2018）的氮化学综述，并根据最近的研究更新了胺、HNCO和N2O亚群。热尿素分解和氧化实验与Honorien等人（2021）提出的气相尿素解离的理论速率常数一致，这与之前用尿素进行SNCR建模时使用的值有很大偏差。添加CO对尿素氧化和SNCR都有类似的效果，将化学反应转向较低的温度。在SNCR工艺中，最大NO去除率的温度变化高达200k，而不影响整体还原效率。在高温和高CO浓度下，由于在预热区发生了反应，存在强烈的径向温度梯度，因此观察到塞流近似的破坏。在这些条件下，圆柱形剪切流反应器模型和全二维模拟提供了更准确的预测。总体而言，模型预测与本研究的实验数据和文献数据都很吻合。

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引用次数: 0

Optimized global reaction mechanisms for hydrogen-enriched alkanes and alcohols up to 600 K and 5 atm 优化了富氢烷烃和醇在600 K和5 atm下的全局反应机制

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-09 DOI: 10.1016/j.fuel.2026.138699

Dong Seok Jeon , Hui Man Yang , Nam Il Kim

Global reaction mechanisms (GRMs) have been widely used in engineering combustion simulations due to their high efficiency. However, they have not been sufficiently improved for conventional fuels and their hydrogen blends, which have recently gained interest. This study proposed GRMs for alkanes (C₂H₆, C₃H₈, and C₄H₁₀), alcohols (CH₃OH and C₂H₅OH), and their hydrogen blends. For each fuel, optimized single-step GRMs were derived from laminar burning velocities (LBVs) estimated from detailed reaction mechanisms (DRMs) and experimental results. The single-step GRMs accurately reflected LBVs in fuel-lean conditions but over-predicted them in fuel-rich conditions. To address this issue, optimized 5-step GRMs were recommended for each fuel over a broad range of equivalence ratios (

0.5 ⩽ ϕ ⩽ 1.5

), pressures (1–5 atm), and temperatures (300–600 K). These GRMs included a hydrogen single-step (HS) reaction, a water–gas shift (WGS) reaction, a CH₂ reaction, and two additional reactions. The GRMs derived in this study could significantly reduce computational costs while maintaining suitable reliability. This study provides an efficient means to conduct practical combustion simulations.

全局反应机制（GRMs）以其高效的特性在工程燃烧模拟中得到了广泛的应用。然而，对于传统燃料及其氢混合物来说，它们还没有得到充分的改进，这一点最近引起了人们的兴趣。本研究提出了烷烃（C2H6、C3H8和C4H10）、醇（CH3OH和C2H5OH）及其氢共混物的GRMs。对于每种燃料，优化的单步grm是根据详细的反应机理（DRMs）和实验结果估计的层流燃烧速度（LBVs）得出的。单步GRMs在贫燃料条件下准确反映了LBVs，但在富燃料条件下预测过高。为了解决这个问题，每种燃料在广泛的等效比（0.5≥1.5）、压力（1-5 atm）和温度（300-600 K）范围内推荐了优化的5步GRMs。这些GRMs包括一个氢单步反应（HS）、一个水气移位反应（WGS）、一个CH2反应和两个附加反应。本研究导出的GRMs可以在保持适当可靠性的同时显著降低计算成本。本研究为实际燃烧模拟提供了一种有效的手段。

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引用次数: 0

Fabrication of highly efficient Cu catalysts supported on dealuminated Y zeolite for the methanol dehydrogenation reaction 脱铝Y沸石负载高效Cu催化剂的制备

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-08-01 Epub Date: 2026-02-10 DOI: 10.1016/j.fuel.2026.138649

Aolue Yan , Yanhong Quan , Yan Li , Jun Ren

Cu aggregation has been a significant obstacle to promoting the catalytic performance of methanol dehydrogenation for the production of high hydrogen storage chemical methyl formate (MF). Catalysts composed of Cu with different loading (x = 5, 10, 15, 20 wt%) supported on dealuminated mesoporous Y zeolite (mY-deAl) had been prepared by mechanical grinding method and used in methanol dehydrogenation for MF. 10Cu/mY-deAl with appropriate Cu loading exhibited the largest MF yield of 31.9%, which was approximately 30 times higher than that of Cu/mY of 1.0% under 280 °C and 0.2 MPa. The excellent behavior was proved to be attributed to the development of amounts of mesoporous allowing the Cu particle enter into as well as the formation of Al vacancies anchoring optimal amount of Cu, induced by the dealumination of Y. Furthermore, the closely linear relationships between Cu dispersion and TOF_Cu, along with that between active Cu⁰ concentration and MF selectivity were revealed. The less Cu loading could not provide enough active sites for the conversion of methanol (22.0%) even though having the best dispersion, while the excessive Cu loading would result in Cu aggregation in the mesopores deriving from the limit of Al vacancies. This contribution innovatively provided a kind of Cu supported Y catalyst and clearly elucidated the promotion mechanism of catalytic performance driven by the synergy of Al vacancies and mesopores in methanol dehydrogenation to MF.

Cu聚集是影响甲醇脱氢生产高储氢化学物甲酸甲酯（MF）催化性能的一个重要障碍。采用机械研磨的方法，在脱铝介孔Y型分子筛（mY-deAl）上制备了不同载量（x = 5、10、15、20 wt%）的Cu催化剂，并将其用于MF甲醇脱氢。在280℃、0.2 MPa条件下，适当Cu负载的10Cu/mY- deal的MF产率为31.9%，是Cu/mY的1.0%的30倍左右。这种优异的性能是由于y的脱铝引起的介孔数量的增加，使Cu颗粒能够进入，以及锚定最佳Cu量的Al空位的形成。此外，Cu弥散度与TOFCu之间以及活性Cu0浓度与MF选择性之间存在密切的线性关系。较少的Cu负载即使具有最好的分散性也不能为甲醇的转化提供足够的活性位点（22.0%），而过多的Cu负载由于Al空位的限制会导致Cu在介孔中聚集。这一贡献创新性地提供了一种Cu负载型Y催化剂，并清楚地阐明了Al空位和介孔协同作用对甲醇脱氢制MF催化性能的促进机制。

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