Fuel最新文献 - Book学术

Development of a revised molecular model for asphalt oxidation and its implications for polymer compatibility 改进的沥青氧化分子模型的发展及其对聚合物相容性的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138564

Aniruddha Chowdhury , Pouria Nourian , Jason Wiley , Nazimuddin Wasiuddin , Andrew Peters

The incorporation of waste plastic in asphalt has emerged as a promising approach to improve binder properties while promoting sustainable practices. However, oxidative aging of asphalt significantly affects its durability through both short-term fast-rate and long-term constant-rate aging processes, and their impact on asphalt-polymer interaction remains poorly understood. This work presents a two-part investigation of the effect of oxidative aging of asphalt on polymer-asphalt compatibility using molecular dynamics (MD) simulations and Flory-Huggins (FH) theory. First, different existing oxidized asphalt molecular models are considered, and a new refined model is created. Orbital electronegativity calculations are used as a computationally tractable proxy for quantum chemistry methods to predict oxidation sites. Then, isolated oxidation of SARA (saturates, asphaltenes, resins, aromatics) fractions is conducted to understand how oxidation affects the different solubility classes. Finally, an in-depth analysis of the effect of oxidative aging (unoxidized, 1 day, 5 days, 10 days, and 30 days of oxidation) mechanism on polyethylene-modified-asphalt using molecular dynamics is carried out. Results reveal an approximately linear relationship between increasing oxygen content and the FH interaction parameter (χ), with the most significant compatibility shift occurring during the initial fast-rate oxidation phase. The findings also quantify how oxidative aging differently impacts the SARA fraction, with aromatics exhibiting the highest sensitivity. This revised oxidation model provides an MD framework for predicting long-term phase stability of polymer-modified asphalt binders.

废塑料掺入沥青已成为一种有前途的方法，以提高粘合剂的性能，同时促进可持续的做法。然而，沥青的氧化老化通过短期快速老化和长期恒定老化过程显著影响其耐久性，并且它们对沥青-聚合物相互作用的影响尚不清楚。本文采用分子动力学（MD）模拟和flary - huggins （FH）理论对沥青氧化老化对聚合物-沥青相容性的影响进行了两部分的研究。首先，综合考虑现有不同的氧化沥青分子模型，建立新的精炼模型。轨道电负性计算被用作量子化学方法预测氧化位点的计算上易于处理的代理。然后，对SARA（饱和烃、沥青质、树脂、芳烃）馏分进行分离氧化，以了解氧化对不同溶解度的影响。最后，运用分子动力学方法深入分析了氧化老化（未氧化、氧化1天、氧化5天、氧化10天、氧化30天）对聚乙烯改性沥青的影响机理。结果表明，氧含量的增加与FH相互作用参数（χ）之间存在近似线性关系，其中最显著的相容性变化发生在初始快速氧化阶段。研究结果还量化了氧化老化对SARA组分的不同影响，其中芳香剂表现出最高的敏感性。这个修正的氧化模型为预测聚合物改性沥青粘合剂的长期相稳定性提供了一个MD框架。

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引用次数: 0

Molecular dynamics simulations of model asphaltene films to investigate the compositional dependence of the dilational properties 模型沥青质膜的分子动力学模拟，以研究膨胀特性的组分依赖性

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138572

Kazuya Kobayashi

Asphaltenes, high-molecular-weight crude oil components, pose challenges in petroleum production and transportation by precipitating and aggregating at oil–water interfaces, forming stable emulsions that hinder separation. The stability of the asphaltene emulsion is linked to the viscoelastic properties of the asphaltene film, which are highly dependent on the film composition. The influence of the additives is often discussed in relation to the asphaltene-to-additives ratio. However, the influence is still inconclusive because of the lack of investigations into the interfacial affinity of the original asphaltene and additives. This study performed molecular dynamics simulations for model asphaltene films where compounds have different interfacial affinities: N-(1-hexylheptyl)-N′-(5-carboxylicpentyl)perylene-3,4,9,10-tetracarboxylic bisimide (C5Pe), its methylated analogue (C5PeM), and stearate. Multiple independent simulations were performed to overcome the poor sampling of the film properties by a single simulation. The asphaltene molecular orientations within the films show a concentration-dependent shift from the perpendicular-to-interface polyaromatic plane orientation at low concentrations (

c^{I n t f} =

0.33 μmol/m²) to a more disordered arrangement as the asphaltene concentration increases. The transition agrees well with the evolution of the dilational modulus. Crucially, the dilational modulus of mixed films is significantly influenced, and governed by, more interfacially active components like C5Pe and stearate. Microscopic analysis reveals that the dilational modulus is overridden by the accumulation of the interfacially active components, and asphaltene desorption is not necessary for this effect. This study provides the relationship between microscopic behaviors and properties (interfacial tension and dilational modulus), advancing our understanding of the stability of crude oil emulsions. These findings offer a critical basis for optimizing the selection and dosage of demulsifiers in crude oil production, thereby enhancing the efficiency of oil–water separation processes.

沥青质是一种高分子量的原油成分，它在油水界面沉淀和聚集，形成稳定的乳液，阻碍了分离，给石油生产和运输带来了挑战。沥青质乳液的稳定性与沥青质膜的粘弹性有关，而粘弹性又高度依赖于沥青质膜的组成。添加剂的影响通常与沥青质与添加剂的比例有关。然而，由于缺乏对原始沥青质和添加剂的界面亲和力的研究，这种影响仍然是不确定的。本研究对具有不同界面亲和力的化合物（N-（1-己基庚基）-N ' -（5-羧基戊基）苝-3,4,9,10-四羧基二酰亚胺（C5Pe）、其甲基化类似物（C5PeM）和硬脂酸酯）的模型沥青烯薄膜进行了分子动力学模拟。为了克服单次模拟对薄膜性能采样较差的问题，进行了多次独立模拟。在低浓度（cIntf= 0.33 μmol/m2）下，膜内沥青质的分子取向随浓度的增加呈现出由垂直于界面的多芳平面取向向无序排列的变化趋势。这一转变与膨胀模量的演化符合得很好。关键是，混合膜的膨胀模量受到C5Pe和硬脂酸盐等界面活性成分的显著影响和控制。微观分析表明，膨胀模量被界面活性组分的积累所覆盖，沥青质的解吸不是产生这种影响的必要条件。该研究提供了微观行为与性质（界面张力和膨胀模量）之间的关系，促进了我们对原油乳状液稳定性的认识。这些研究结果为原油生产中破乳剂的优化选择和用量，从而提高油水分离工艺的效率提供了重要依据。

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引用次数: 0

Integration of pyrolysis bio-oils of varying upgrading levels in FCC co-processing with VGO: Benefits and limitations 不同升级水平的热解生物油在FCC协同处理中与VGO的集成：优点和局限性

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138622

Thibault Ourlin , Ferran Torres Marti , Robbie Venderbosch , Serdar Çelebi , Seda Karahan , Yannick Mathieu , Avelino Corma

Fast Pyrolysis Bio-Oil (FPBO) and two biocrudes derived from it, a Stabilized and Deoxygenated Pyrolysis Oil (SDPO) and a near oxygen-free Hydrotreated Pyrolysis Oil (HPO), were co-processed independently with a Heavy Vacuum Gas Oil (HVGO) feed in a transported-bed reactor (MicroDowner Unit, MDU) over a commercial FCC equilibrium catalyst. This study examines the influence of bio-oil upgrading severity, incorporation ratio (5–50 wt%), and catalyst-to-oil ratio (CTO = 5–30 g/g) on conversion, product distribution, coke formation, and deoxygenation pathways under typical industrial FCC conditions aimed at maximizing middle distillates. At low blending levels (≤ 10 wt%), upgraded bio-oils had minimal effect on overall conversion and liquid yields; however, FPBO severely deactivated the catalyst even at 5 wt%. Increasing the upgrading severity of pyrolysis oil (FPBO → SDPO → HPO) reduced coke selectivity by up to 75%, preserved gasoline (C₅–C₁₂) and kerosene (C₁₀–C₁₈) yields, and enhanced biogenic carbon recovery into liquid fuels (from 16% for FPBO to 65% for SDPO and 76% for HPO at 80% conversion). In all cases, deoxygenation proceeded primarily via dehydration during FCC coprocessing (>90% for SDPO and HPO). However, for FPBO, due to its different oxygenated-compound composition, decarboxylation and decarbonylation mechanisms also contributed significantly. It has been found that phenol derivatives are the most refractory among the oxygenated compounds in pyrolysis oil and are not efficiently removed during preliminary upgrading or catalytic cracking, leading to their accumulation in the recovered liquid products even after FCC processing. Altogether, this study clearly indicates that pretreatment of pyrolysis bio-oil, such as deep hydrodeoxygenation, is essential to ensure seamless integration into existing FCC operations and to maximize renewable carbon incorporation into drop-in fuels.

快速热解生物油（FPBO）及其衍生的两种生物原油，稳定脱氧热解油（SDPO）和近无氧加氢热解油（HPO），在运输床反应器（MicroDowner Unit， MDU）中与重真空气油（HVGO）原料在商业FCC平衡催化剂上独立协同处理。本研究考察了生物油升级程度、掺入比（5-50 wt%）和催化油比（CTO = 5-30 g/g）对典型工业催化裂化条件下的转化、产品分布、焦炭形成和脱氧途径的影响，目的是最大化中间馏分。在低混合水平（≤10 wt%）下，升级后的生物油对总体转化率和液体产量的影响最小；然而，即使在5 wt%时，FPBO也会严重失活催化剂。提高热解油（FPBO→SDPO→HPO）的升级程度，可降低高达75%的焦炭选择性，保留汽油（C5-C12）和煤油（C10-C18）的收率，并提高生物碳在液体燃料中的回收率（从FPBO的16%提高到SDPO的65%和HPO的76%，转化率为80%）。在所有情况下，在FCC共处理过程中，脱氧主要通过脱水进行（SDPO和HPO为90%）。然而，对于FPBO，由于其不同的含氧化合物组成，脱羧和脱羰基机制也起着重要作用。研究发现，苯酚衍生物是热解油中含氧化合物中最难降解的，在初步升级或催化裂化过程中不能有效去除，即使经过FCC处理也会在回收的液体产品中积累。总之，这项研究清楚地表明，热解生物油的预处理，如深度加氢脱氧，对于确保与现有FCC操作的无缝集成以及最大限度地将可再生碳纳入到drop-in燃料中至关重要。

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引用次数: 0

Three-dimensional spherical ordered mesoporous Al-MCM-48 solid acid catalysts for the rapid conversion of biomass-derived GVL to butene 三维球形有序介孔Al-MCM-48固体酸催化剂用于生物质衍生的GVL快速转化为丁烯

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138603

Haibiao Yu , Yudong Li , Yuanting Du , Ruixi Yang , Weijun Shan , Yuejiao Wang , Ruan Chi , Ying Xiong

The catalytic production of butene from biomass-derived γ-valerolactone (GVL) plays a crucial role in advancing sustainable energy development. In this paper, MCM-48 featuring a large surface area and ordered three-dimensional mesoporous structure, was prepared using a hydrothermal method with CTAB as the template agent. The final solid acid xwt%Al-MCM-48 catalysts were then synthesized via a simple impregnation method, using AlCl₃ as the aluminum source and ethanol as the solvent. It was found that aluminum species exist on the surface of MCM-48 in tetra-, quintu-, and hexa-coordinated forms, which leads to the formation of a substantial number of weak Brønsted and Lewis acid sites. Although the introduction of Al species further reduces the specific surface area of the catalyst, the optimal 9wt%Al-MCM-48 catalyst still maintains a high value of 651 m²·g⁻¹, with the largest number of weak acid sites, amounting to 0.60 mmol·g⁻¹. The ordered three-dimensional mesoporous structure, large number of surface weak acid sites, and suitable ratio of Brønsted to Lewis acid endow the 9wt%Al-MCM-48 catalyst with high catalytic activity for the conversion GVL to butene. Upon optimization of the reaction parameters, the 9wt%Al-MCM-48 catalyst achieves a butene yield of over 90% within a 90 min reaction period at 300 °C. Further evaluation of the catalyst’s cycling stability revealed that it maintains 74% of butene yield following five consecutive cycles.

生物质衍生的γ-戊内酯（GVL）催化丁烯的制备对推进能源可持续发展具有重要意义。本文以CTAB为模板剂，采用水热法制备了具有大表面积、有序三维介孔结构的MCM-48。然后以AlCl3为铝源，乙醇为溶剂，采用简单浸渍法合成了最终的固体酸xwt%Al-MCM-48催化剂。结果表明，MCM-48表面的铝以四配位、五配位和六配位的形式存在，从而形成了大量的弱Brønsted和Lewis酸位点。虽然Al物质的引入进一步降低了催化剂的比表面积，但9wt%Al- mcm -48催化剂的最佳比表面积仍然保持在651 m2·g−1的高值，弱酸位点最多，达到0.60 mmol·g−1。有序的三维介孔结构、大量的表面弱酸位点以及合适的br / Lewis酸配比，使得9wt%Al-MCM-48催化剂具有较高的GVL转化丁烯的催化活性。通过优化反应参数，9wt%Al-MCM-48催化剂在300℃下90 min的反应时间内，丁烯收率达到90%以上。对催化剂循环稳定性的进一步评估表明，在连续5次循环后，它的丁烯收率保持在74%。

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引用次数: 0

Microstructural modeling on cement mechanical properties under carbonation reactions and its implications to well integrity 碳酸化反应下水泥力学性能的微观结构建模及其对井完整性的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138555

Zhuang Sun, Rafael Salazar-Tio, Sandeep Kumar, Andrew Fager, Bernd Crouse

CO₂ geological storage involves the CO₂ injection into subsurface reservoirs through wells. Cementing is a critical component of well construction and is necessary for mechanical integrity as well as hydraulic sealing of wells. The injected CO₂ can react with the hydrated materials in the cementing. This chemical process, often called carbonation reactions, can have a significant impact on the microstructure, mechanical properties and durability of the well cementing. However, there is no published work that focuses on the changes in the microstructure and mechanical properties of cement caused by carbonation reactions and its implications to well integrity at a large scale. This study aims to solve this multiscale challenge of well integrity during CO₂ geological storage. First, an image processing technique was developed to capture the changes in cement 3D microstructure due to carbonation and bicarbonation processes. Second, we perform simulation steps to calculate the cement mechanical properties under various levels of carbonation reactions and validate the simulation results with laboratory experiments. The simulation results show that carbonation and bicarbonation processes lead to a non-trivial evolution of the constitutive relationship. Third, the microstructure simulation provides input to a multistage finite element model to evaluate the well stability. The results indicate that the carbonation process can adversely impact the well stability as it may induce tensile failure and damage to the cement. This work shows that advanced numerical models are powerful tools to ensure the cement integrity of CO₂ storage projects.

二氧化碳地质封存是指通过井将二氧化碳注入地下储层。固井是井施工的重要组成部分，是保证井的机械完整性和水力密封的必要条件。注入的CO2可与固井中的水化物质发生反应。这种化学过程通常被称为碳化反应，它会对固井的微观结构、机械性能和耐久性产生重大影响。然而，目前还没有发表过关于碳酸化反应引起水泥微观结构和力学性能变化及其对井完整性影响的研究。该研究旨在解决二氧化碳地质封存过程中井完整性的多尺度挑战。首先，开发了一种图像处理技术来捕捉碳化和重碳化过程导致的水泥三维微观结构的变化。其次，我们进行了模拟步骤，计算了不同碳化反应水平下水泥的力学性能，并通过实验室实验验证了模拟结果。仿真结果表明，碳化和重碳化过程导致了本构关系的非平凡演化。第三，微观结构模拟为多级有限元模型提供输入，以评估井的稳定性。结果表明，碳酸化过程可能引起水泥的拉伸破坏和破坏，从而对井的稳定性产生不利影响。这项工作表明，先进的数值模型是确保二氧化碳封存项目水泥完整性的有力工具。

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引用次数: 0

Experimental study on overpressure and flame propagation of coal dust explosions for various coal types in a confined vessel 密闭容器内不同煤种煤尘爆炸超压及火焰传播试验研究

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-04 DOI: 10.1016/j.fuel.2026.138592

Ke Gao , Jiahui Song , Yujiao Liu , Shengnan Li , Jichuang Ma

Coal dust explosions represent a significant hazard in industrial processes, yet the underlying mechanisms governing energy release and flame propagation across different coal types and particle sizes remain inadequately understood. This study systematically investigates the explosion characteristics of four distinct coal types—lignite, long-flame coal, bituminous coal, and anthracite—in a confined vessel, focusing on overpressure development and flame dynamics. Results demonstrate that flame propagation speed, temperature, maximum explosion pressure, and luminous intensity decrease sequentially from lignite to anthracite, strongly correlated with volatile matter content. Lignite, with the highest volatile content, exhibits the most intense energy release, pronounced flame wrinkling, and prolonged combustion duration, indicating the highest disaster potential. Additionally, reduced particle size enhances specific surface area, improving heat transfer and reaction efficiency, thereby increasing peak flame velocity, maximum temperature, and explosion pressure. This study reveals the critical controlling effect of fuel properties on combustion and explosion behaviors, and elucidates the regulatory mechanism of fuel particle physical morphology on reaction kinetics. It provides important references for optimizing fuel selection and controlling combustion processes.

煤尘爆炸在工业过程中是一种重大危害，但控制能量释放和火焰传播的潜在机制在不同煤炭类型和颗粒大小中仍然没有得到充分的了解。本研究系统地研究了褐煤、长焰煤、烟煤和无烟煤四种不同类型的煤在密闭容器中的爆炸特性，重点研究了超压发展和火焰动力学。结果表明，从褐煤到无烟煤，火焰传播速度、温度、最大爆炸压力和发光强度依次降低，与挥发分含量密切相关。褐煤挥发分含量最高，能量释放最强烈，火焰起皱明显，燃烧持续时间长，灾害潜力最大。此外，减小的颗粒尺寸增加了比表面积，改善了传热和反应效率，从而提高了火焰峰值速度、最高温度和爆炸压力。本研究揭示了燃料性质对燃烧爆炸行为的关键控制作用，阐明了燃料颗粒物理形态对反应动力学的调控机理。为优化燃料选择和控制燃烧过程提供了重要参考。

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引用次数: 0

The effect of potassium mineral transformation on ash fusion characteristics during co-gasification of straw biomass and high-silica-alumina coal 钾矿物转化对秸秆生物质与高硅铝煤共气化过程中灰熔融特性的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-03 DOI: 10.1016/j.fuel.2026.138604

Jinzhe Li, Xia Liu, Xueli Chen, Qinghua Guo, Guangsuo Yu

Co-gasification of biomass and high-silica-alumina coal not only enhances the gasification reactivity but also mitigates some of the ash-related problems induced by potassium in biomass. However, the influence of potassium mineral transformation on the fusion characteristics of high-silica-alumina ash systems remains poorly investigated. In this study, corn stalk ash (CSA) and synthetic ash (SA, containing only silicon and potassium oxides) were blended with high-silica-alumina Shanxi coal ash (SXCA), while the ash fusion temperature analyzer and high-temperature heating stage coupled with optical microscope (HSOM) were respectively utilized to investigate the fusion properties of the mixed ash. In addition, X-ray diffraction (XRD) and FactSage thermodynamics software were used to explore the mechanism of potassium in changing the fusion characteristics. The results show that the addition of both CSA and SA could reduce the fusion temperatures by promoting the conversion of mullite to orthoclase at low blending ratios. However, when the mass ratio of SiO₂/K₂O was lower than 5.55, the transformation of orthoclase into refractory leucite. For higher blending ratios (>80%), the aluminum in the ash became insufficient to fully react with potassium, leading to the presence of excess potassium as K₂O in the liquid slag, which significantly reduced the fusion temperatures. Therefore, when using straw biomass to regulate the ash fusion characteristics of high-silica-alumina coal, the mass ratio of SiO₂/K₂O should be higher than 5.55. In addition, alkaline earth metals in CSA did not influence the form of potassium, but mitigated the influence of potassium minerals on ash fusion characteristics.

生物质与高硅铝煤共气化不仅提高了气化反应性，而且减轻了生物质中钾引起的灰分相关问题。然而，钾矿物转化对高硅-氧化铝灰体系熔合特性的影响研究较少。本研究将玉米秸秆灰（CSA）和仅含硅和氧化钾的合成灰（SA）与高硅-氧化铝山西煤灰（SXCA）混合，分别利用灰熔融温度分析仪和高温加热阶段结合光学显微镜（HSOM）研究混合灰的熔融性能。此外，利用x射线衍射（XRD）和FactSage热力学软件探讨了钾改变熔合特性的机理。结果表明，CSA和SA的加入都可以通过促进莫来石向正长石的转变来降低熔合温度。而当SiO2/K2O质量比低于5.55时，正长石转变为难熔白晶石。当掺入比例较高（>80%）时，灰中的铝不能与钾充分反应，导致过量的钾以K2O的形式存在于渣液中，从而显著降低熔合温度。因此，利用秸秆生物质调节高硅铝煤的灰熔融特性时，SiO2/K2O的质量比应大于5.55。此外，CSA中的碱土金属不影响钾的形态，但减轻了钾矿物对灰熔融特性的影响。

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引用次数: 0

A perovskite fuel electrode for efficient and sustainable CO2 reduction in solid oxide electrolysis cells via A-site entropy engineering 一种钙钛矿燃料电极，用于通过A位熵工程在固体氧化物电解电池中有效和可持续地减少二氧化碳

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-03 DOI: 10.1016/j.fuel.2026.138612

Hui Xu , Ting Chen , Xuesong Shen , Ning Sun , Jiancheng Wang , Guozhu Zheng , Xinyu Wang , Yingxue Ju , Lang Xu , Shaorong Wang

Solid oxide electrolysis cell (SOEC) has emerged as an attractive technology for CO₂ electrolysis. However, the insufficient electrocatalytic activity and stability of fuel electrode materials remain a major constraint on their large-scale commercial application. Herein, we report a high-entropy perovskite Pr_1/6La_1/6Nd_1/6Ba_1/6Sr_1/6Ca_1/6FeO_3-δ (PLNBSCF), as a highly active and stable fuel electrode for direct CO₂ electrolysis. Multi-element doping at the A-site induces a pronounced high-entropy effect, which substantially enhances the oxygen vacancy concentration and optimizes the CO₂ reduction reaction (CO₂RR) kinetics. When tested at 850 °C, the single cell based on a Sc_0.18Zr_0.82O_2-δ (SSZ) electrolyte support and a PLNBSCF-GDC fuel electrode achieves a current density of 1.47 A cm⁻² at 1.5 V. Moreover, it demonstrates excellent operational stability, showing no significant degradation over 360 h of continuous operation at 800 °C and 1.3 V. Mechanistic insights into the boosted electrolysis performance enabled by A-site high-entropy doping were further verified by density functional theory (DFT) calculations. This study demonstrates the effectiveness of entropy engineering in tailoring electrocatalytic properties of perovskite oxides, and opens a promising materials designing strategy for high-performance SOEC fuel electrodes.

固体氧化物电解电池（SOEC）是一种极具吸引力的二氧化碳电解技术。然而，燃料电极材料的电催化活性和稳定性不足仍然是制约其大规模商业化应用的主要因素。在此，我们报道了一种高熵钙钛矿Pr1/6La1/6Nd1/6Ba1/6Sr1/6Ca1/6FeO3-δ (PLNBSCF)，作为一种高活性和稳定的燃料电极直接用于CO2电解。a位多元素掺杂引起明显的高熵效应，显著提高了氧空位浓度，优化了CO2还原反应动力学。在850°C下测试时，基于Sc0.18Zr0.82O2-δ (SSZ)电解质支架和PLNBSCF-GDC燃料电极的单电池在1.5 V下获得了1.47 a cm - 2的电流密度。此外，它还表现出优异的运行稳定性，在800°C和1.3 V下连续运行360小时没有明显的退化。通过密度泛函理论（DFT）计算进一步验证了a位高熵掺杂提高电解性能的机理。该研究证明了熵工程在调整钙钛矿氧化物电催化性能方面的有效性，并为高性能SOEC燃料电极的材料设计开辟了一条有前途的策略。

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引用次数: 0

Numerical investigation of co-firing of RDF and pulverized coal in precalciners: Impacts on combustion characteristics and pollutant emissions 预分解炉中RDF与煤粉共烧的数值研究：对燃烧特性和污染物排放的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-03 DOI: 10.1016/j.fuel.2026.138647

Zihui Zhang , Shijun Yan , Meiying Huang , Yuxiang Liu , Yumeng Zhang

Cement production is a major CO₂ emitter, and co-firing refuse-derived fuel (RDF) can reduce coal use while recovering energy from waste. An experimentally validated CFD model was applied to a full-scale precalciner to evaluate RDF and pulverized coal co-combustion at RDF substitution ratios of 0 ∼ 45% under constant total heat input. Axial profiles of velocity, temperature, major species, fuel burnout, raw-meal decomposition, and pollutant emissions were analyzed. The results show that increasing RDF substitution intensified the internal flow and raised the mean outlet velocity from 24.05 to 29.61 m/s, while slightly decreasing the mean outlet temperature from 1321 to 1216 K. High RDF shares reduced burnout and decomposition, but the temperature field remained sufficiently uniform for calcination. Outlet CO₂ emissions, primarily from coal combustion and CaCO₃ decomposition, decline with RDF blending in a quadratic trend, while NO emissions decrease almost linearly due to the lower nitrogen content of RDF. An RDF substitution ratio of 15% provided the best overall performance, maintaining burnout and decomposition above 95% and 90%, respectively, while reducing outlet CO₂ and NO by 1.69% and 7.06%. These results support the technical feasibility of partial coal replacement by RDF in cement precalciners.

水泥生产是主要的二氧化碳排放源，共烧垃圾衍生燃料（RDF）可以减少煤炭的使用，同时从废物中回收能源。将实验验证的CFD模型应用于全尺寸预分解炉，以评估在恒定总热量输入下，RDF替代率为0 ~ 45%时RDF和煤粉的共燃烧。分析了速度、温度、主要物质、燃料燃尽、生料分解和污染物排放的轴向分布。结果表明：增加RDF取代能增强内部流动，使平均出口速度从24.05 m/s提高到29.61 m/s，而平均出口温度从1321 K略微降低到1216 K；高RDF份额减少了燃尽和分解，但温度场仍然足够均匀，适合煅烧。出口CO2排放量（主要来自煤炭燃烧和CaCO3分解）随RDF混合呈二次型下降趋势，而NO排放量则因RDF含氮量较低而几乎呈线性下降。当RDF替代率为15%时，综合性能最佳，燃尽率和分解率分别保持在95%和90%以上，出口CO2和NO分别降低1.69%和7.06%。这些结果支持了RDF在水泥预分解炉中部分替代煤炭的技术可行性。

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引用次数: 0

Cross-scale flow experiments and establishment of motion equations for shale oil 页岩油跨尺度流动实验及运动方程的建立

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-02-03 DOI: 10.1016/j.fuel.2026.138571

Yu XIONG , Aoran LENG , Mingqiu LI , Kai YU , Shasha LI , Feng XIONG

Currently, the equation of motion describing the full-scale flow process does not exist yet. This article establishes a cross-scale transport experiment and data processing method based on the principle of conservation of mass with high precision pressure and quality acquisition system. Through this experiment, transport parameters such as liquid film thickness h, slip length l_s, and fluid viscosity μ can be obtained. The transport parameters obtained at the corresponding scales are fitted with the actual flow velocity through multivariate nonlinear fitting, and the unified form of the motion equation is v=K∇P/μ (A+B∇

P

). A mainly reflects the influence of pore structure characteristics on driving resistance, while B reflects the influence of absorbing, slip and additional pressure gradient results in no-laminar flow when those pore decreasing to Nano-scale. The average relative error between the predicted flow velocity and the actual flow velocity of this equation at the three scales is 10.582%. Sensitivity analysis was ultimately conducted on key parameters ▽P, r_eff/r, and φ. The motion equation will help for evolution of new theory and method for tight source energy production. Such as productivity prediction, well test interpretation as well as cross scale numerical simulation.

目前，描述全尺度流动过程的运动方程还不存在。本文建立了一种基于质量守恒原理的高精度压力和质量采集系统的跨尺度输运实验和数据处理方法。通过实验可以得到液膜厚度h、滑移长度ls、流体粘度μ等输运参数。通过多元非线性拟合得到相应尺度下的输运参数与实际流速拟合，得到运动方程的统一形式为v=K∇P/μ (A+B∇P)。A主要反映了孔隙结构特征对驱动阻力的影响，而B反映了吸收、滑移和附加压力梯度对孔隙减小到纳米尺度时无层流的影响。在三个尺度下，该方程的预测流速与实际流速的平均相对误差为10.582%。最终对△P、reff/r、φ等关键参数进行了敏感性分析。该运动方程有助于致密源能源生产新理论和新方法的发展。如产能预测、试井解释、跨尺度数值模拟等。

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