IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138484

Wen-Jiao Wang , Kai-Ru Jin , Zhi-Hao Zheng , Hong-Qing Shi , Du Wang , Ling-Nan Wu , Ya-Wen Liu , Longfei Li , Jiayu Sun , Yu Cheng Liu , Zhen-Yu Tian

This study systematically investigates the effects of multi-jet interaction and gravity on soot formation in methane/air multi-jet diffusion flames through both experimental and numerical approaches. The particle and microcrystalline size, as well as the deposition morphology of soot, of different heights and gravities were detected by Field Emission Scanning Electron Microscopy (FESEM) and High-Resolution Transmission Electron Microscopy (HRTEM). The experimental results showed that both jet interaction and buoyancy effects significantly affect the soot nanostructure. Many large luminous spots named soot ‘meteor’ appeared in methane diffusion flames under microgravity. This phenomenon results from the combined effects of jets interaction and gravity variation. The period fluctuation of the flame tip with a frequency of 12 Hz was observed at normal gravity, but disappeared under microgravity conditions. Reduced gravity enhanced soot formation, with soot particles under microgravity reaching sizes approximately three times larger than those under normal gravity. Moreover, soot generated under microgravity exhibited a higher degree of graphitization, characterized by longer fringe lengths, smaller fringe tortuosity, and a higher C/H ratio. The soot generated from the side tube exhibited a higher degree of maturity compared to that of the center tube under both normal and microgravity conditions. Furthermore, A 3D laminar flame model was built to analyze the soot formation. The simulation results manifested that the soot-related reaction rates of side tubes were higher than those in the center tube, indicating that the combustion performance of the side tubes played more important roles in soot formation and combustion efficiency.

本文通过实验和数值方法系统地研究了多射流相互作用和重力对甲烷/空气多射流扩散火焰中烟尘形成的影响。利用场发射扫描电镜（FESEM）和高分辨率透射电镜（HRTEM）检测了不同高度和重力下烟尘的颗粒和微晶尺寸以及沉积形貌。实验结果表明，射流相互作用和浮力效应对烟尘纳米结构都有显著影响。在微重力条件下，甲烷扩散火焰中出现了许多名为煤烟“流星”的大光斑。这种现象是射流相互作用和重力变化共同作用的结果。在正常重力条件下，火焰尖端的周期波动频率为12 Hz，在微重力条件下，周期波动消失。重力降低促进了烟尘的形成，微重力下烟尘颗粒的大小约为正常重力下的3倍。微重力下生成的烟尘石墨化程度更高，条纹长度更长，条纹弯曲度更小，C/H比更高。在正常和微重力条件下，侧管产生的烟尘比中心管产生的烟尘成熟程度更高。此外，建立了三维层流火焰模型，分析了烟尘的形成。模拟结果表明，侧管的烟尘相关反应速率高于中心管，说明侧管的燃烧性能对烟尘的形成和燃烧效率的影响更为重要。

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引用次数: 0

Harnessing biofilm polysaccharide as an endogenous green anti-foulant for suppressing asphaltene deposition and spreading on metal surface 利用生物膜多糖作为内源性绿色抗污剂抑制沥青质在金属表面的沉积和扩散

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138365

Zhendong Liao , Wenying Li , Jingchun Feng , Si Zhang , Guozhong Wu

Asphaltene deposition and microbiologically induced corrosion are two major flow assurance challenges in oil pipelines. Although these phenomena often co-occur, they have traditionally been studied separately, leaving their potential interactions unclear. This study combined interfacial tension measurement, spreading experiments and molecular dynamics simulations to investigate how alginate, a model biofilm polysaccharide associated with microbiological corrosion, affected the interfacial behavior and deposition dynamics of asphaltenes on carbon steel surface. Results showed that alginates significantly reduced the asphaltene-water interfacial tension by modifying surface chemistry and providing steric stabilization. Alginates also suppressed asphaltene spreading kinetics across all concentrations tested, with a maximum reduction in spreading speed of 61%. Above 2 g L⁻¹, alginates further switched from promoting to inhibiting the final spreading extent. The inhibition effects stemmed from a surface-traction-induced pivoted deposition pathway: alginate and asphaltenes formed amphiphilic heteroaggregates in the bulk, which weakened asphaltene-metal adhesion and strengthened alginate-asphaltene binding, thereby hindering deposition and spreading. The interfacial parameters and mechanistic insights obtained in this study provided a foundation for developing more predictive asphaltene deposition models particularly under microbiological corrosion conditions. It highlighted the important potential of utilizing biofilm polysaccharide as an endogenous green anti-foulant for suppressing asphaltene deposition and spreading in flow assurance strategies.

沥青质沉积和微生物腐蚀是石油管道流动保障的两大挑战。虽然这些现象经常同时发生，但它们传统上是分开研究的，使它们之间潜在的相互作用不清楚。本研究结合界面张力测量、扩散实验和分子动力学模拟，研究了海藻酸盐这种与微生物腐蚀相关的模式生物膜多糖如何影响沥青质在碳钢表面的界面行为和沉积动力学。结果表明，海藻酸盐通过改变表面化学性质和提供空间稳定性，显著降低了沥青-水界面张力。海藻酸盐还抑制了沥青质的扩散动力学，在所有浓度的测试中，扩散速度最大降低了61%。在2 g L−1以上，海藻酸盐进一步由促进扩散程度转变为抑制扩散程度。抑制作用源于表面牵引诱导的轴向沉积途径：藻酸盐和沥青质在体中形成两亲性异质聚集体，削弱了沥青质与金属的粘附，加强了藻酸盐与沥青质的结合，从而阻碍了沉积和扩散。本研究获得的界面参数和机理见解为开发更具预测性的沥青质沉积模型，特别是在微生物腐蚀条件下的沥青质沉积模型提供了基础。强调了利用生物膜多糖作为内源性绿色抗污染剂抑制沥青质沉积和扩散的重要潜力。

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引用次数: 0

Nitrogen oxides formation mechanisms and control strategies in ammonia high-pressure direct injection combustion of marine low-speed engines 船用低速发动机氨高压直喷燃烧中氮氧化物形成机理及控制策略

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138522

Jie Wu, Long Liu, Yang Wang, Yue Wu

Ammonia is a promising carbon-free fuel for marine transportation, yet the understanding of nitrogen oxides formation and consumption mechanisms remains limited, particularly under high-pressure direct injection of marine low-speed engines. This study provides a mechanistic characterization of NOx and N₂O formation in a novel ammonia–diesel stratified injection combustion mode, innovatively integrating detailed chemical-kinetic analysis, ¹⁵N isotopic labeling, and three-dimensional reaction-path visualization based on computational fluid dynamics (CFD). The ¹⁵N labeling approach effectively distinguishes the origins of nitrogen oxides, showing that more than 90% of NO and N₂O emissions are derived from fuel nitrogen. Reaction pathway analysis during combustion indicates that NO formation occurs mainly via radical oxidation and third-body collision, with key reactions including NH₂ + NO₂ = H₂NO + NO, HNO + O₂ = HO₂ + NO, NO + H (+M) = HNO (+M), and NO + OH (+M) = HONO (+M). NO is primarily consumed through DeNOx and oxidation processes involving radicals such as NH₂, NH, and HO₂. N₂O is formed mainly through the conversion of NO/NO₂ by reactions such as NH + NO = N₂O + H and NH₂ + NO₂ = N₂O + H₂O, while its consumption is dominated by N₂O + H = N₂ + OH and the thermal decomposition pathway N₂O (+M) = N₂ + O (+M). Guided by these mechanistic insights and based on the fuel-rich combustion concept that enables ultra-low NOx emission, an innovative post-injection strategy is proposed. By appropriately matching the post-injected ammonia energy and injection timing, this strategy achieves a 16.8% reduction in total NOx compared with the non-post-injection baseline, directly meeting IMO Tier III requirements, while providing a better N₂O trade-off compared with exhaust gas recirculation (EGR) and maintaining N₂O emissions and indicated thermal efficiency at 0.056 g/kW·h and 48%, respectively.

氨是一种很有前途的海洋运输无碳燃料，但对氮氧化物形成和消耗机制的了解仍然有限，特别是在船用低速发动机高压直喷下。该研究提供了一种新型氨柴油分层喷射燃烧模式中NOx和N2O形成的机理表征，创新地集成了详细的化学动力学分析、15N同位素标记和基于计算流体动力学（CFD）的三维反应路径可视化。15N标签方法有效区分了氮氧化物的来源，表明超过90%的NO和N2O排放来自燃料氮。燃烧过程中的反应途径分析表明，NO的生成主要通过自由基氧化和第三体碰撞进行，关键反应包括NH2 + NO2 = H2NO + NO、HNO + O2 = HO2 + NO、NO + H (+M) = HNO （+M）、NO + OH (+M) = HONO （+M）。NO主要通过脱氧和涉及NH2、nhh和HO2等自由基的氧化过程被消耗。N2O主要通过NH + NO = N2O + H和NH2 + NO2 = N2O + H2O等反应转化NO/NO2生成，其消耗以N2O + H = N2 + OH和热分解途径N2O (+M) = N2 + O （+M）为主。在这些机理的指导下，基于实现超低NOx排放的富燃料燃烧概念，提出了一种创新的后喷射策略。通过适当匹配注入后的氨气能量和注入时间，该策略与不注入后的基准相比，总氮氧化物减少了16.8%，直接满足IMO III级要求，同时与废气再循环（EGR）相比，提供了更好的N2O权衡，并将N2O排放和指示热效率分别保持在0.056 g/kW·h和48%。

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引用次数: 0

Amorphous high-entropy Co3B-HEA: Enhanced NaBH4 hydrolysis catalysis via multi-element synergy 无定形高熵Co3B-HEA：通过多元素协同作用增强NaBH4水解催化

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138521

Huaxia Zhou , Chenxi Shang , Tayirjan Taylor Isimjan , Xiulin Yang

High-entropy materials, with their multi-element synergistic effects, offer abundant active sites, holding great promise for designing efficient catalysts for sodium borohydride (NaBH₄) hydrolysis. Herein, we for the first time synthesize a metal-rich amorphous high-entropy compound Co₃B‒HEA via a hydrothermal-chemical reduction method, constructing a novel “high-entropy matrix-boride” composite catalytic system. Experimental results demonstrate that Co₃B‒HEA achieves a maximum hydrogen generation rate (HGR) of 8539.2 mL min⁻¹ g_cat⁻¹ at 25 °C. Systematic characterizations reveal three key structural innovations: uniformly distributed multi-metallic active sites, a unique amorphous structure, and strong electronic interactions between Co₃B and the HEA matrix. Kinetic studies demonstrate zero-order reaction behavior with respect to NaBH₄ concentration and a low activation energy (47.24 kJ mol⁻¹), indicating enhanced reaction efficiency. Based on the Michaelis–Menten model, we propose a novel multi-element synergistic activation mechanism: Ru, Co, Fe, Ni, and Mo collectively activate

{B H}_{4}^{-}

and H₂O molecules, fundamentally boosting the NaBH₄ hydrolysis rate. Moreover, hydrogen generated from NaBH₄ hydrolysis by the Co₃B‒HEA catalyst was used directly to drive a custom H₂-air fuel cell, successfully lighting up small light bulbs and demonstrating its potential for practical applications. This work offers a novel strategy for designing high-performance catalysts for hydrogen production and their practical energy utilization.

高熵材料具有多元素协同作用，提供了丰富的活性位点，在设计高效的硼氢化钠（NaBH4）水解催化剂方面具有很大的前景。本文首次采用水热化学还原法合成了富金属无定形高熵化合物Co3B-HEA，构建了一种新型的“高熵基质-硼化物”复合催化体系。实验结果表明，在25℃条件下，Co3B-HEA的最大产氢速率（HGR）为8539.2 mL min - 1 gcat - 1。系统表征揭示了三个关键的结构创新：均匀分布的多金属活性位点，独特的非晶结构，以及Co3B与HEA基体之间的强电子相互作用。动力学研究表明，与NaBH4浓度相关的反应为零级，反应活化能较低（47.24 kJ mol−1），表明反应效率提高。基于Michaelis-Menten模型，我们提出了一种新的多元素协同活化机制：Ru、Co、Fe、Ni和Mo共同激活BH4-和H2O分子，从根本上提高NaBH4的水解速率。此外，Co3B-HEA催化剂水解NaBH4产生的氢气被直接用于驱动定制的h2 -空气燃料电池，成功点亮了小型灯泡，展示了其实际应用潜力。这项工作为设计高性能制氢催化剂及其实际能源利用提供了一种新的策略。

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引用次数: 0

An experimental and kinetic modeling study of the autoignition delay times of triethyl phosphite 亚磷酸三乙酯自燃延迟时间的实验与动力学模型研究

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138507

Frederick Nii Ofei Bruce , Yuke Gao , Ruining He , Zhihan Zhu , Xin Wang , Yilin Zhao , Mengmeng Jia , Jiaxin Xie , Xin Bai , Yun Hin Taufiq-Yap , Chong-wen Zhou , Henry Curran , Yang Li

Organophosphorus compounds (OPCs) are effective flame inhibitors due to their gas-phase radical-scavenging chemistry. However, the autoignition behavior of triethyl phosphite (TEPI, P(OC₂H₅)₃), a trivalent organophosphorus compound, has not previously been characterized. This work presents the first experimental and kinetic modeling study of TEPI autoignition, addressing a key gap in the combustion chemistry of organophosphorus compounds. Ignition delay times (IDTs) of TEPI/air mixtures were measured behind reflected shock waves in a high-pressure shock tube at temperatures of 1000–1600 K, pressures of 5–10 bar, and equivalence ratios of φ = 0.1 and 0.5. A detailed TEPI oxidation mechanism was developed using high-level quantum chemistry, canonical transition-state theory with tunneling corrections, and RRKM/master-equation analysis, yielding over 40 TEPI-specific reactions that were integrated into a validated C₀–C₃ hydrocarbon/phosphorus base mechanism. The measured IDTs exhibit Arrhenius-type temperature dependence, strong pressure sensitivity, and longer ignition delays under leaner conditions. At 10 bar and φ = 0.5, TEPI ignites within 0.1 to 1 ms (1100–1500 K), approximately an order of magnitude faster than at 5 bar and φ = 0.1. The kinetic model reproduces the experimental IDTs within a factor of two across all conditions and identifies PO-containing intermediates (PO, HOPO, HOPO₂) as key contributors to TEPI oxidation and inhibition of ignition. These results provide the first validated ignition dataset and chemical kinetic framework for TEPI, offering mechanistic insight into trialkyl phosphite combustion and establishing a foundation for extending trivalent phosphorus chemistry to future flame-inhibition and fire-suppression studies, where extinction and flame-speed measurements will be required.

有机磷化合物（OPCs）由于其气相自由基清除化学作用而成为有效的阻燃剂。然而，磷酸三乙酯（TEPI， P(OC2H5)3）是一种三价有机磷化合物，其自燃行为尚未被表征。这项工作提出了TEPI自燃的第一个实验和动力学建模研究，解决了有机磷化合物燃烧化学中的一个关键空白。在温度为1000 ~ 1600 K、压力为5 ~ 10 bar、等效比为φ = 0.1和0.5的高压激波管内，测量了TEPI/空气混合物在反射激波后的点火延迟时间（IDTs）。利用高水平量子化学、带隧道修正的典型过渡态理论和RRKM/主方程分析，开发了详细的TEPI氧化机理，产生了40多个TEPI特异性反应，这些反应被整合到验证的C0-C3烃/磷碱机理中。测量的IDTs表现出阿累尼乌斯型的温度依赖性、强压力敏感性和在较低条件下较长的点火延迟。在10 bar和φ = 0.5时，TEPI在0.1到1 ms （1100-1500 K）内点燃，大约比在5 bar和φ = 0.1时快一个数量级。该动力学模型在所有条件下都以两倍的倍数再现了实验idt，并确定了含PO中间体（PO、HOPO、HOPO2）是TEPI氧化和抑制着火的关键因素。这些结果为TEPI提供了第一个经过验证的点火数据集和化学动力学框架，提供了对亚磷酸酯三烷基酯燃烧的机理见解，并为将三价磷化学扩展到未来的抑火和灭火研究奠定了基础，在这些研究中需要熄灭和火焰速度测量。

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引用次数: 0

Effect of crystal facet-controlled structured PtLa catalyst in enhancing room-temperature start-up performance for methanol combustion 晶体面控结构PtLa催化剂对提高甲醇燃烧室温启动性能的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138519

Binji Li, Qingli Shu, Qi Zhang

Using the same fuel as that employed in methanol reforming for hydrogen production to generate heat via combustion is currently one of the mainstream solutions to address the high power consumption issue associated with traditional electric heating in hydrogen production reactors. The key factors determining the practical application of methanol combustion heating lie in its ability to start at low temperatures and provide stable heat under high space velocity conditions, rendering catalyst design particularly critical. Conventional Pt-based particulate catalysts for methanol combustion suffer from high costs due to the high loading of active metals, and their durability is often inadequate because the water produced tends to accumulate on the surface of the particulate catalysts. In this study, a monolithic mesh-type PtLa/γ-Al₂O₃/Al catalyst with a low Pt loading of only 0.28 wt% was proposed for the first time. This novel structure significantly enhances catalytic activity and durability, achieving over 80 % methanol conversion over 170 h of operation. Additionally, the catalyst can attain a methanol conversion rate of 93.5 % at room temperature. A combination of various characterization techniques and DFT calculations was utilized to investigate its reaction mechanism and the effect of La doping in depth. Owing to its low cost, excellent durability, and ease of replacement, this catalyst is well-suited for heating reactions in distributed methanol-to-hydrogen systems.

使用与甲醇重整制氢相同的燃料通过燃烧产生热量是目前解决制氢反应器中传统电加热相关的高功耗问题的主流解决方案之一。决定甲醇燃烧加热实际应用的关键因素在于它能够在低温下启动，并在高空速条件下提供稳定的热量，这使得催化剂的设计尤为关键。传统的基于pt的甲醇燃烧颗粒催化剂由于活性金属的高负荷而成本高，并且由于产生的水容易积聚在颗粒催化剂表面，其耐久性往往不足。在本研究中，首次提出了一种单片网状型PtLa/γ-Al2O3/Al催化剂，其Pt负载仅为0.28 wt%。这种新型结构显著提高了催化活性和耐久性，在170小时的操作中实现了80%以上的甲醇转化率。此外，该催化剂在室温下的甲醇转化率可达93.5%。利用各种表征技术和DFT计算相结合，深入研究了其反应机理和La掺杂的影响。由于其低成本、优异的耐久性和易于更换，该催化剂非常适合用于分布式甲醇制氢系统的加热反应。

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引用次数: 0

Hydrodynamic behavior and design implications in continuous-flow hydrothermal liquefaction systems 连续流热液液化系统的水动力特性及其设计意义

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-27 DOI: 10.1016/j.fuel.2026.138528

Dylan J. Cronin, Juliano Souza dos Passos, Alan H. Zacher, Uriah Kilgore, Andrew J. Schmidt, Samuel P. Fox, Michael R. Thorson

Hydrothermal liquefaction (HTL) is an emergent technology with potential to produce transport fuels from societal wet-waste feedstocks in a more environmentally sustainable manner than the use of traditional fossil fuels. HTL converts wet wastes into biocrude using a range of different pressures (∼1400–5000 psi) and temperatures (∼275–450 °C). Much of the bench-scale research on this topic has adopted a batch approach; however, for HTL to succeed at an industrial scale, a continuous-flow (CF) reactor system is necessary. A shortcoming of the CF approach is the risk of reactor blockage during attempts to achieve plug flow, leading to significant downtime and maintenance costs. It is therefore vital to understand the fluid dynamics phenomena involved in CF-HTL so that processes and/or feedstocks can be designed to circumvent this highly detrimental outcome. The current study investigates the hydrodynamic behavior of two feed slurries (an industrial food-waste blend and a sewage-sludge blend) in a flow test system reactor designed for the purpose. The impacts of various process conditions—such as feed composition, heating profile, and flow rate—are investigated. The results provide new insights into the nature of CF-HTL reactor fouling, and the implications to subcritical CF-HTL reactor operation and design are discussed.

水热液化（HTL）是一项新兴技术，有可能以比使用传统化石燃料更环保的方式从社会湿废物原料中生产运输燃料。HTL使用一系列不同的压力（~ 1400-5000 psi）和温度（~ 275-450°C）将湿废物转化为生物原油。关于该主题的许多实验规模研究都采用了批处理方法；然而，要使HTL在工业规模上取得成功，一个连续流（CF）反应器系统是必要的。CF方法的一个缺点是，在试图实现塞流的过程中，反应器有堵塞的风险，从而导致大量的停机时间和维护成本。因此，了解cf - html中涉及的流体动力学现象是至关重要的，这样可以设计工艺和/或原料来避免这种非常有害的结果。目前的研究调查了两种饲料浆料（一种工业食物废物混合物和一种污水污泥混合物）在流动试验系统反应器中的流体动力学行为。研究了各种工艺条件的影响，如饲料成分、加热剖面和流量。研究结果对CF-HTL堆结垢的性质提供了新的认识，并对亚临界CF-HTL堆运行和设计的意义进行了讨论。

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引用次数: 0

Breaking the Wettability–Performance Trade-Off: Porosity-Tuned novel Ti Liquid/Gas diffusion layers for PEM water electrolyzers via selective laser melting 打破润湿性与性能之间的权衡：通过选择性激光熔化用于PEM水电解槽的多孔性调谐新型Ti液体/气体扩散层

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-26 DOI: 10.1016/j.fuel.2026.138512

Serhatcan Berk Akçay , Onur Güler , Temel Varol , Mehmet Fatih Kaya , Fatih Erdemir , Hüseyin Can Aksa , Mücahit Kocaman , Murat Beder , Furkan Emre Başkara

The wettability–corrosion trade-off in liquid/gas diffusion layers (LGDLs) of PEM water electrolyzers remains a persistent challenge in achieving both long-term durability and efficient electrochemical performance. In this study, titanium-based porous LGDLs with varying porosity levels were fabricated via Selective Laser Melting (SLM) and systematically investigated to resolve this design conflict. Three distinct porosity configurations (S1, S2, S3) were produced by adjusting laser parameters, resulting in increasing open porosity and decreasing wettability (contact angle increased from ∼ 60° in S1 to ∼ 118° in S3). Electrochemical testing demonstrated that the highest-porosity sample (S3) achieved the highest corrosion resistance, with a current density of only 20.18 μA·cm⁻². Remarkably, despite its low wettability, S3 also exhibited the best PEM cell performance, reaching a peak current density of 29 mA.cm⁻² at 2.0 V, which is more than 20 % of that of S1. This enhancement is attributed to the improved gas/liquid transport efficiency afforded by the interconnected high-porosity network, especially under pressurized flow conditions, which dominates over surface wetting effects. These results highlight that engineering porosity through SLM can simultaneously optimize corrosion resistance and electrochemical output, offering a promising pathway toward more durable and efficient LGDLs for next-generation PEM water electrolyzers in clean hydrogen production systems.

PEM水电解槽液/气扩散层（lgdl）的润湿性和腐蚀平衡是实现长期耐用性和高效电化学性能的一个持续挑战。在本研究中，采用选择性激光熔化（SLM）法制备了不同孔隙度的钛基多孔lgdl，并对其进行了系统研究，以解决这一设计冲突。通过调整激光参数，产生了三种不同的孔隙结构（S1、S2、S3），导致开放孔隙度增加，润湿性降低（接触角从S1的~ 60°增加到S3的~ 118°）。电化学测试表明，孔隙率最高的样品（S3）具有最高的耐蚀性，电流密度仅为20.18 μA·cm−2。值得注意的是，尽管S3的润湿性较低，但它也表现出最好的PEM电池性能，在2.0 V时达到29 mA.cm−2的峰值电流密度，超过S1的20%。这种增强是由于相互连接的高孔隙度网络提高了气/液输运效率，特别是在加压流动条件下，这比表面润湿效应更重要。这些结果表明，通过SLM进行工程孔隙化可以同时优化耐腐蚀性和电化学输出，为清洁制氢系统中下一代PEM水电解槽提供了更耐用、更高效的lgdl。

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引用次数: 0

Super-adiabatic temperature in the homogeneous ignition of NH3/O2/N2 mixtures NH3/O2/N2混合物均相点火时的超绝热温度

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-26 DOI: 10.1016/j.fuel.2026.138517

Han Zhang , Yan Wang , Zheng Chen

Super-adiabatic temperature (SAT) has been observed in both experimental and simulated ammonia combustion, yet the underlying chemical kinetics and their dependence on mixture conditions remain incompletely understood. In particular, the elementary reactions that govern SAT and how their contributions vary across different mixture conditions have not been fully assessed. To address this, we conduct a series of 0D homogeneous ignition simulations considering detailed chemical mechanism. The results reveal two distinct SAT regions as the equivalence ratio changes. Region I (ϕ < 3) occurs under moderately rich conditions and is primarily controlled by H₂O dissociation (R11: H₂O + M ⇌ OH + H + M). In this regime, SAT increases with initial temperature, decreases with pressure, and is strengthened by a higher oxygen volume fraction in the oxidizer. Region II (ϕ ≥ 3) appears under extremely rich conditions, where SAT is dominated by NH₃ decomposition (R45: NH₃ + M ⇌ NH₂ + H + M). In this regime, SAT increases with initial temperature and pressure, while weakly strengthened by oxygen volume fraction. Further simulations with alternative chemical mechanisms confirm the robustness of the two-region SAT behavior. Based on these findings, we compare the SAT phenomena in ammonia and hydrocarbon fuels during ignition and flame processes, highlighting the consistency of their underlying chemical mechanisms and analyzing the differences in their quantitative manifestations. This study provides valuable insights into the kinetic origin of SAT in homogeneous NH₃ ignition and may inform future experimental and modelling efforts.

超绝热温度（SAT）已经在实验和模拟氨燃烧中观察到，但潜在的化学动力学及其对混合物条件的依赖仍然不完全清楚。特别是，控制SAT的基本反应及其在不同混合条件下的贡献如何变化尚未得到充分评估。为了解决这个问题，我们进行了一系列的0D均匀点火模拟，考虑了详细的化学机理。结果显示，随着等效比的变化，两个不同的SAT区域。区域I （φ < 3）发生在适度丰富的条件下，主要由H2O解离（R11: H2O + M + OH + H + M）控制。在这种状态下，SAT随初始温度升高而升高，随压力降低而降低，并因氧化剂中氧气体积分数的增加而增强。区域II （φ≥3）出现在极其丰富的条件下，其中SAT以NH3分解为主（R45: NH3 + M + NH2 + H + M）。在这种情况下，SAT随着初始温度和压力的增加而增加，而氧气体积分数的增加对SAT的增强作用较弱。采用其他化学机制的进一步模拟证实了双区SAT行为的鲁棒性。基于这些发现，我们比较了氨和碳氢燃料在点火和燃烧过程中的SAT现象，强调了它们潜在化学机制的一致性，并分析了它们定量表现的差异。这项研究为均匀NH3点火中SAT的动力学起源提供了有价值的见解，并可能为未来的实验和建模工作提供信息。

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引用次数: 0

Synergistic sulfur-chlorine dual sites drive wide-temperature mercury purification in smelting flue gas 硫氯双址协同驱动冶炼烟气中宽温度汞净化

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-26 DOI: 10.1016/j.fuel.2026.138482

Su Wang , Dilong Qiang , Haiting Yan , Zhou Zhou , Mindong Chen , Zhen Li , Songjian Zhao

To effectively remove mercury from sulfur-containing flue gas in non-ferrous metal smelting, a novel Cl-doped CuS (CuS-Cl) material synthesized via a facile coprecipitation-solid phase grinding method. This mechanochemical approach efficiently incorporates Cl atoms into the CuS lattice, inducing structural evolution and creating synergistic S-Cl active sites. In addition, Cl doping also enhances surface acidity, introducing medium-strength acid sites beneficial for adsorption. CuS-Cl achieves near-complete Hg⁰ removal (>99 %) across an unprecedented wide temperature range (50 ∼ 200 °C) under high Hg⁰ concentration (∼950 μg/m³), overcoming the temperature limitations of conventional CuS. Remarkably, it maintains > 90 % efficiency even in complex flue gas containing 6000 ppm SO₂, 5 % H₂O, and 8 % O₂. The mechanism analysis results revealed that the synergistic drive of sulfur and chlorine dual sites in CuS-Cl materials is crucial. First, the S₂^2-/Cu²⁺ active sites on the material surface dominate the chemical adsorption to form HgS. Moreover, lattice Cl combines with generated Hg²⁺ to form gaseous HgCl₂. At low temperatures (<150 °C), Hg⁰ is primarily immobilized as HgS; at ≥ 150 °C, it is released as HgCl₂, preventing adsorbent saturation. This work provides a dual-functional strategy for broad-temperature Hg⁰ control.

为有效去除有色金属冶炼烟气中的汞，采用易共沉淀法-固相研磨法合成了一种新型掺氯cu （cu - cl）材料。这种机械化学方法有效地将Cl原子整合到cu晶格中，诱导结构演化并产生协同的S-Cl活性位点。此外，Cl的掺杂也增强了表面酸度，引入有利于吸附的中等强度酸位。在高Hg0浓度（~ 950 μg/m3）下，cu - cl在前所未有的宽温度范围（50 ~ 200°C）内实现了近乎完全的Hg0去除（> 99%），克服了传统cu的温度限制。值得注意的是，即使在含有6000 ppm SO2、5% H2O和8% O2的复杂烟气中，它也能保持90%的效率。机理分析结果表明，cu - cl材料中硫氯双位点的协同驱动是至关重要的。首先，材料表面的S22-/Cu2+活性位点主导化学吸附形成HgS。此外，晶格Cl与生成的Hg2+结合形成气态HgCl2。在低温（<150℃）下，Hg0主要以HgS的形式固定；在≥150℃时，以HgCl2的形式释放，防止吸附剂饱和。这项工作为宽温Hg0控制提供了一种双功能策略。

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