IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138549

Xu Shao , Botao Qin , Quanlin Shi , Bao Qu , Shibo Xu , Mingyue Weng

Magmatic intrusions induce intense thermal-force effects on coal seams, significantly altering their physicochemical structure and influencing gas behavior and spontaneous combustion propensity, thereby threatening mine safety. This study investigates magmatically altered coal (MAC) and corresponding unaltered coal from the Tiefa Coalfield. Integrated N₂ adsorption, X-ray photoelectron spectroscopy, and desorption-displacement-oxidation experiments, combined with fractal theory and diffusion/reaction kinetics, were employed to systematically analyze pore and chemical structure evolution and its control on gas transport and reaction. Results show that magmatic alteration increases specific surface area and pore volume while reducing pore size. Fractal and multifractal analyses reveal rougher surfaces, more complex spatial structures, and enhanced heterogeneity and connectivity. Chemically, MAC undergoes aromatization and condensation, reducing unstable oxygen-containing groups, developing an aromatic carbon skeleton, and generating persistent free radicals and catalytic sulfone sulfur. These changes lead to gas desorption with high capacity but slow release: increased limit diffusion capacity, decreased initial diffusion coefficient, and prolonged median desorption time. In the displacement and oxidation stages, MAC exhibits higher gas displacement and oxygen consumption rates. The apparent activation energy during slow oxidation decreases by approximately 50%, the crossing-point temperature drops significantly, and CO/CO₂ concentrations are consistently higher. This study elucidates that magmatic alteration synergistically creates a physicochemical environment with high adsorption capacity, excellent pore connectivity, and low reaction barriers, collectively increasing spontaneous combustion propensity. It provides a critical theoretical basis for preventing and controlling spontaneous combustion risks in magmatically affected mines.

岩浆侵入对煤层产生强烈的热力作用，显著改变煤层的物理化学结构，影响煤层瓦斯行为和自燃倾向，威胁煤矿安全。本文对铁法煤田的岩浆蚀变煤和相应的未蚀变煤进行了研究。综合N2吸附、x射线光电子能谱、解吸-置换-氧化实验，结合分形理论和扩散/反应动力学，系统分析了孔隙和化学结构演化及其对气体输运和反应的控制作用。结果表明：岩浆蚀变增大了比表面积和孔隙体积，减小了孔隙尺寸；分形和多重分形分析揭示了粗糙的表面，更复杂的空间结构和增强的异质性和连通性。化学上，MAC经历芳香化和缩合，减少不稳定的含氧基团，形成芳香碳骨架，并产生持久性自由基和催化砜硫。这些变化导致气体解吸容量大，但释放缓慢：极限扩散容量增加，初始扩散系数降低，中位解吸时间延长。在驱替和氧化阶段，MAC表现出较高的排气量和耗氧量。缓慢氧化过程的表观活化能降低约50%，过点温度显著下降，CO/CO2浓度持续升高。该研究表明，岩浆蚀变协同创造了一个具有高吸附能力、良好孔隙连通性和低反应障碍的物理化学环境，共同增加了自燃倾向。为岩浆影响矿山自燃风险的防治提供了重要的理论依据。

{"title":"Synergistic physicochemical reconfiguration governs gas desorption-displacement-oxidation behaviors in magmatically altered coal","authors":"Xu Shao , Botao Qin , Quanlin Shi , Bao Qu , Shibo Xu , Mingyue Weng","doi":"10.1016/j.fuel.2026.138549","DOIUrl":"10.1016/j.fuel.2026.138549","url":null,"abstract":"<div><div>Magmatic intrusions induce intense thermal-force effects on coal seams, significantly altering their physicochemical structure and influencing gas behavior and spontaneous combustion propensity, thereby threatening mine safety. This study investigates magmatically altered coal (MAC) and corresponding unaltered coal from the Tiefa Coalfield. Integrated N<sub>2</sub> adsorption, X-ray photoelectron spectroscopy, and desorption-displacement-oxidation experiments, combined with fractal theory and diffusion/reaction kinetics, were employed to systematically analyze pore and chemical structure evolution and its control on gas transport and reaction. Results show that magmatic alteration increases specific surface area and pore volume while reducing pore size. Fractal and multifractal analyses reveal rougher surfaces, more complex spatial structures, and enhanced heterogeneity and connectivity. Chemically, MAC undergoes aromatization and condensation, reducing unstable oxygen-containing groups, developing an aromatic carbon skeleton, and generating persistent free radicals and catalytic sulfone sulfur. These changes lead to gas desorption with high capacity but slow release: increased limit diffusion capacity, decreased initial diffusion coefficient, and prolonged median desorption time. In the displacement and oxidation stages, MAC exhibits higher gas displacement and oxygen consumption rates. The apparent activation energy during slow oxidation decreases by approximately 50%, the crossing-point temperature drops significantly, and CO/CO<sub>2</sub> concentrations are consistently higher. This study elucidates that magmatic alteration synergistically creates a physicochemical environment with high adsorption capacity, excellent pore connectivity, and low reaction barriers, collectively increasing spontaneous combustion propensity. It provides a critical theoretical basis for preventing and controlling spontaneous combustion risks in magmatically affected mines.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138549"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076444","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conversion of suspension fuel droplets in the flame zone of an entrained flow gasifier 悬浮燃料液滴在夹带流气化炉火焰区的转化

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138473

Manuel Haas , Sabine Fleck , Frederik Scheiff , Thomas Kolb

The High-pressure Entrained Flow Gasification (EFG) process can play an important role in future production chains with a closed carbon cycle because of its ability to generate a high-quality syngas from waste-based fuels, e.g., pyrolysis oils and suspensions derived from biomass and mixed plastic wastes. This work aims to improve the understanding of the conversion processes in the EFG flame zone for suspension fuels by applying a well-defined model suspension (monoethylene glycol and beech-wood char) in a combined experimental and numerical approach. A 2-Phase Free Jet Model is used to numerically investigate the reacting fuel spray and to perform a sensitivity study on suspension droplet conversion models. Modeled flame structures are validated by OH-LIF experiments at an atmospheric EFG. Results show that the flame structure for the suspension fuel is mainly determined by entrainment of syngas into the oxidizer jet and liquid fuel evaporation, whereas solid reactions are shown to play a minor role. Different suspension droplet conversion models are compared in a sensitivity study, showing a strong impact of the modeling approach on the amount of liquid fuel evaporation, which in turn influences flame structure. The insights of the study serve as a valuable basis for further research elucidating the coupled transport and reaction phenomena in the EFG flame, in particular the formation and conversion of intermediate solid products.

高压夹带流气化（EFG）工艺可以在具有封闭碳循环的未来生产链中发挥重要作用，因为它能够从基于废物的燃料中产生高质量的合成气，例如从生物质和混合塑料废物中提取的热解油和悬浮液。这项工作的目的是通过结合实验和数值方法，应用一个定义良好的模型悬浮液（单乙二醇和山毛榉木炭），提高对悬浮燃料在EFG火焰区转化过程的理解。采用两相自由射流模型对燃油喷射反应进行了数值研究，并对悬浮液滴转化模型进行了灵敏度研究。模拟的火焰结构通过在大气EFG上的OH-LIF实验进行了验证。结果表明，悬浮燃料的火焰结构主要由合成气进入氧化剂射流和液体燃料蒸发决定，固体反应起次要作用。在灵敏度研究中比较了不同的悬浮液滴转化模型，表明建模方法对液体燃料蒸发量的影响很大，从而影响火焰结构。研究结果为进一步研究EFG火焰中的耦合输运和反应现象，特别是中间固体产物的形成和转化提供了有价值的基础。

{"title":"Conversion of suspension fuel droplets in the flame zone of an entrained flow gasifier","authors":"Manuel Haas , Sabine Fleck , Frederik Scheiff , Thomas Kolb","doi":"10.1016/j.fuel.2026.138473","DOIUrl":"10.1016/j.fuel.2026.138473","url":null,"abstract":"<div><div>The High-pressure Entrained Flow Gasification (EFG) process can play an important role in future production chains with a closed carbon cycle because of its ability to generate a high-quality syngas from waste-based fuels, e.g., pyrolysis oils and suspensions derived from biomass and mixed plastic wastes. This work aims to improve the understanding of the conversion processes in the EFG flame zone for suspension fuels by applying a well-defined model suspension (monoethylene glycol and beech-wood char) in a combined experimental and numerical approach. A 2-Phase Free Jet Model is used to numerically investigate the reacting fuel spray and to perform a sensitivity study on suspension droplet conversion models. Modeled flame structures are validated by OH-LIF experiments at an atmospheric EFG. Results show that the flame structure for the suspension fuel is mainly determined by entrainment of syngas into the oxidizer jet and liquid fuel evaporation, whereas solid reactions are shown to play a minor role. Different suspension droplet conversion models are compared in a sensitivity study, showing a strong impact of the modeling approach on the amount of liquid fuel evaporation, which in turn influences flame structure. The insights of the study serve as a valuable basis for further research elucidating the coupled transport and reaction phenomena in the EFG flame, in particular the formation and conversion of intermediate solid products.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138473"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient Oxygen Evolution Using Conductive Nitrogen-rich Ferrocene-based Porous Organic Polymers Electrocatalysts 导电富氮铁基多孔有机聚合物电催化剂的高效析氧研究

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138533

Ahmed F. Saber , Mohamed Gamal Mohamed , Munzir H. Suliman , Shiao-Wei Kuo , Mahmoud M. Abdelnaby

The development of stable, efficient, and cost-effective electrocatalysts for the oxygen evolution reaction (OER) is critically important due to the intrinsically sluggish kinetics of this process, which significantly limit the efficiency of water splitting and related electrochemical energy systems. Porous organic polymers (POPs) have recently emerged as a versatile platform for the design of heterogeneous catalysts; however, their application in water-splitting electrocatalysis, particularly for the OER, remains largely unexplored. In this work, two novel ferrocene-based porous POP electrodes were designed, synthesized, and subsequently supported on nickel foam (NF) for evaluation as OER electrocatalysts. The resulting electrodes exhibit remarkable electrocatalytic activity and excellent operational stability under alkaline OER conditions. Notably, in 1.0 M KOH, the most active catalyst, Fc-PBTD POP, achieves a low overpotential of approximately 291 mV at a current density of 10 mA cm⁻², along with a small Tafel slope of 86 mV dec^-1. Furthermore, the catalyst demonstrates outstanding durability, retaining its activity with negligible performance degradation over 15 h of continuous chronoamperometric operation. Electrochemical analyses reveal that the superior OER performance originates from the incorporation of ferrocene units, which act as efficient electron-transfer mediators, facilitating rapid charge transport and enhancing overall catalytic activity. This study represents a significant advancement in the design of ferrocene-functionalized porous POP electrocatalysts and contributes new insights into their potential for energy-related electrocatalytic applications.

开发稳定、高效、经济的析氧反应（OER）电催化剂至关重要，因为该过程固有的缓慢动力学极大地限制了水分解和相关电化学能量系统的效率。多孔有机聚合物（pop）最近成为多相催化剂设计的通用平台；然而，它们在水分解电催化中的应用，特别是在OER中的应用，在很大程度上仍未得到探索。在这项工作中，设计、合成了两种新型的二茂铁基多孔POP电极，并将其负载在泡沫镍（NF）上，以评估其作为OER电催化剂的性能。所得电极在碱性OER条件下表现出显著的电催化活性和良好的操作稳定性。值得注意的是，在1.0 M KOH条件下，最活跃的催化剂Fc-PBTD POP在电流密度为10 mA cm−2时达到了约291 mV的低过电位，以及86 mV / dec1的小塔菲尔斜率。此外，该催化剂表现出出色的耐久性，在连续15小时的计时电流操作中保持其活性，性能下降可以忽略不计。电化学分析表明，优异的OER性能源于二茂铁单元的加入，二茂铁单元作为有效的电子转移介质，促进快速电荷传输并提高整体催化活性。该研究代表了二茂铁功能化多孔POP电催化剂设计的重大进展，并为其在能源相关电催化应用的潜力提供了新的见解。

{"title":"Efficient Oxygen Evolution Using Conductive Nitrogen-rich Ferrocene-based Porous Organic Polymers Electrocatalysts","authors":"Ahmed F. Saber , Mohamed Gamal Mohamed , Munzir H. Suliman , Shiao-Wei Kuo , Mahmoud M. Abdelnaby","doi":"10.1016/j.fuel.2026.138533","DOIUrl":"10.1016/j.fuel.2026.138533","url":null,"abstract":"<div><div>The development of stable, efficient, and cost-effective electrocatalysts for the oxygen evolution reaction (OER) is critically important due to the intrinsically sluggish kinetics of this process, which significantly limit the efficiency of water splitting and related electrochemical energy systems. Porous organic polymers (POPs) have recently emerged as a versatile platform for the design of heterogeneous catalysts; however, their application in water-splitting electrocatalysis, particularly for the OER, remains largely unexplored. In this work, two novel ferrocene-based porous POP electrodes were designed, synthesized, and subsequently supported on nickel foam (NF) for evaluation as OER electrocatalysts. The resulting electrodes exhibit remarkable electrocatalytic activity and excellent operational stability under alkaline OER conditions. Notably, in 1.0 M KOH, the most active catalyst, Fc-PBTD POP, achieves a low overpotential of approximately 291 mV at a current density of 10 mA cm<sup>−2</sup>, along with a small Tafel slope of 86 mV dec<sup>-1</sup>. Furthermore, the catalyst demonstrates outstanding durability, retaining its activity with negligible performance degradation over 15 h of continuous chronoamperometric operation. Electrochemical analyses reveal that the superior OER performance originates from the incorporation of ferrocene units, which act as efficient electron-transfer mediators, facilitating rapid charge transport and enhancing overall catalytic activity. This study represents a significant advancement in the design of ferrocene-functionalized porous POP electrocatalysts and contributes new insights into their potential for energy-related electrocatalytic applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138533"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A nationwide assessment of CO2 storage potential in U.S. underground natural gas storage facilities 对美国地下天然气储存设施中二氧化碳储存潜力的全国性评估

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138557

Abouzar Mirzaei-Paiaman

Underground natural gas storage (UNGS) facilities in the United States currently hold approximately 9.2 trillion standard cubic feet of natural gas and have demonstrated long-term containment and operational reliability. Despite this, their potential as repositories for anthropogenic CO₂ has not been systematically evaluated. This study presents the first nationwide, field-level assessment of U.S. UNGS reservoirs, aquifers and salt caverns for CO₂ sequestration. A comprehensive database of 384 facilities (447 depleted hydrocarbon reservoirs, aquifers and salt caverns), was compiled, capturing storage capacity, injectivity, subsurface characteristics, and proximity to point-source CO₂ emitters. These sites were classified into nine storage classes based on lithology, native fluid, and cavern type. Using volumetric and flow-based methods, U.S. UNGS sites are estimated to have a storage capacity of approximately 1 gigatonne of CO₂, including 0.82 gigatonnes in 244 sites capable of storing supercritical CO₂. Sensitivity analysis suggests that modest pressure increases (10–30%) could raise total CO₂ storage capacity from ∼0.98 gigatonnes to ∼1.1–1.4 gigatonnes, including ∼0.91–0.98 gigatonnes of supercritical CO₂. This storage capacity could accommodate roughly half of a single year’s emissions from U.S. point sources (∼2.21 gigatonnes), highlighting the role of UNGS facilities as a strategic “buffer” for early-stage carbon capture and storage (CCS) deployment. Combined site injectivity is estimated at ∼4.15 million tonnes per day, with ∼3.3 million tonnes per day available from supercritical CO₂ injection. Storage capacity, field-level injectivity, and per-well injectivity were further analyzed statistically by storage class, revealing variations that inform site prioritization for CO₂ deployment. Spatial analysis also shows strong regional correlations between emissions, storage capacity, and injectivity, indicating that regions with the largest emissions offer the highest storage potential.

美国的地下天然气储存（UNGS）设施目前拥有约9.2万亿标准立方英尺的天然气，并已证明了长期的密封和运行可靠性。尽管如此，它们作为人为二氧化碳储存库的潜力尚未得到系统评估。该研究首次在全国范围内对美国UNGS油藏、含水层和盐洞的二氧化碳封存进行了实地评估。研究人员编制了384个设施（447个枯竭的油气储层、含水层和盐洞）的综合数据库，收集了储存能力、注入能力、地下特征以及与点源CO2排放者的接近程度。根据岩性、原生流体和溶洞类型，将这些地点划分为9类。使用容积法和基于流量的方法，美国UNGS站点估计有大约10亿吨二氧化碳的储存能力，其中包括能够储存超临界二氧化碳的244个站点的0.82亿吨。敏感性分析表明，适度的压力增加（10-30%）可以将总CO2储存能力从~ 0.98亿吨提高到~ 1.1 - 14亿吨，其中包括~ 0.91-0.98亿吨的超临界CO2。这种储存能力可以容纳大约一半的美国单年点源排放（约22.1亿吨），突出了UNGS设施作为早期碳捕获和储存（CCS）部署的战略“缓冲”的作用。综合现场注入能力估计为每天约415万吨，其中每天约330万吨来自超临界二氧化碳注入。存储容量、油田级注入能力和单井注入能力进一步根据存储级别进行统计分析，揭示了CO2部署的现场优先级变化。空间分析还显示，碳排放、储存量和注入能力之间存在很强的区域相关性，表明碳排放最大的地区具有最高的储存量潜力。

{"title":"A nationwide assessment of CO2 storage potential in U.S. underground natural gas storage facilities","authors":"Abouzar Mirzaei-Paiaman","doi":"10.1016/j.fuel.2026.138557","DOIUrl":"10.1016/j.fuel.2026.138557","url":null,"abstract":"<div><div>Underground natural gas storage (UNGS) facilities in the United States currently hold approximately 9.2 trillion standard cubic feet of natural gas and have demonstrated long-term containment and operational reliability. Despite this, their potential as repositories for anthropogenic CO<sub>2</sub> has not been systematically evaluated. This study presents the first nationwide, field-level assessment of U.S. UNGS reservoirs, aquifers and salt caverns for CO<sub>2</sub> sequestration. A comprehensive database of 384 facilities (447 depleted hydrocarbon reservoirs, aquifers and salt caverns), was compiled, capturing storage capacity, injectivity, subsurface characteristics, and proximity to point-source CO<sub>2</sub> emitters. These sites were classified into nine storage classes based on lithology, native fluid, and cavern type. Using volumetric and flow-based methods, U.S. UNGS sites are estimated to have a storage capacity of approximately 1 gigatonne of CO<sub>2</sub>, including 0.82 gigatonnes in 244 sites capable of storing supercritical CO<sub>2</sub>. Sensitivity analysis suggests that modest pressure increases (10–30%) could raise total CO<sub>2</sub> storage capacity from ∼0.98 gigatonnes to ∼1.1–1.4 gigatonnes, including ∼0.91–0.98 gigatonnes of supercritical CO<sub>2</sub>. This storage capacity could accommodate roughly half of a single year’s emissions from U.S. point sources (∼2.21 gigatonnes), highlighting the role of UNGS facilities as a strategic “buffer” for early-stage carbon capture and storage (CCS) deployment. Combined site injectivity is estimated at ∼4.15 million tonnes per day, with ∼3.3 million tonnes per day available from supercritical CO<sub>2</sub> injection. Storage capacity, field-level injectivity, and per-well injectivity were further analyzed statistically by storage class, revealing variations that inform site prioritization for CO<sub>2</sub> deployment. Spatial analysis also shows strong regional correlations between emissions, storage capacity, and injectivity, indicating that regions with the largest emissions offer the highest storage potential.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138557"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Distinction of n-alkanols in biodiesel fuel by diffusion-ordered NMR spectroscopy 扩散有序核磁共振光谱法区分生物柴油燃料中的正烷醇

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138520

Guo Wenying , Huang Guilan , Yuan Ling , Zhang Wenxin , Xia Mingzhu

Recently, higher alkanols have attracted the attention of researchers because, compared with other widely studied lower alkanols (such as ethanol and methanol), they have higher energy density, higher cetane number, better mixing stability and lower hygroscopicity. In biodiesel, alkanols are often added to improve the combustion performance of diesel engines. The qualitative of alkanol components is particularly important for the quality control of biodiesel. A reliable analysis method is demanded to distinguish the various alkanols in biodiesel. This study employed diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY NMR) to establish a quantitative relationship model between diffusion coefficients and molecular weights of n-alkanols in DMSO‑d₆. It is found that the deviation from theoretical molecular weight (ΔMW) of the external calibration curves (ECCs) using dimethyl sulfoxide (DMSO) (0.46–1.88) as internal standards can significantly reduce the MW error than the internal calibration curves (ICCs) (1.05–2.65). The calibration curve of ECCs shows excellent fitting degree (R² = 0.999) and effectively mitigates the impact of external variables: ΔMW remains within ±7 when the concentration ranges from 0.05 to 100 mg/mL or the temperature varies from 288 K to 308 K. Based on the molecular weight determined by this method, n-alkanols that differ by only one carbon atom could be distinguished accurately, and the method has been validated in actual biodiesel samples containing C₄-C₈ n-alkanols.

近年来，高等烷烃引起了研究者的关注，因为与其他被广泛研究的低等烷烃（如乙醇和甲醇）相比，它们具有更高的能量密度、更高的十六烷数、更好的混合稳定性和更低的吸湿性。在生物柴油中，常添加烷醇以改善柴油机的燃烧性能。醇类组分的质量控制对生物柴油的质量控制尤为重要。需要一种可靠的分析方法来区分生物柴油中的各种醇类。本研究采用扩散有序核磁共振波谱法（DOSY NMR）建立DMSO - d6中正烷醇扩散系数与分子量之间的定量关系模型。研究发现，以二甲基亚砜（DMSO）（0.46 ~ 1.88）为内标的外标曲线（ECCs）与理论分子量（ΔMW）的偏差比内标曲线（ICCs）（1.05 ~ 2.65）的分子量误差显著降低。ECCs的校准曲线拟合程度极好（R2 = 0.999），能有效缓解外部变量的影响：浓度在0.05 ~ 100 mg/mL范围内，温度在288 ~ 308 K范围内，ΔMW保持在±7以内。基于该方法测定的分子量，可以准确区分出仅相差一个碳原子的正烷醇，并在实际含有C4-C8正烷醇的生物柴油样品中得到了验证。

{"title":"Distinction of n-alkanols in biodiesel fuel by diffusion-ordered NMR spectroscopy","authors":"Guo Wenying , Huang Guilan , Yuan Ling , Zhang Wenxin , Xia Mingzhu","doi":"10.1016/j.fuel.2026.138520","DOIUrl":"10.1016/j.fuel.2026.138520","url":null,"abstract":"<div><div>Recently, higher alkanols have attracted the attention of researchers because, compared with other widely studied lower alkanols (such as ethanol and methanol), they have higher energy density, higher cetane number, better mixing stability and lower hygroscopicity. In biodiesel, alkanols are often added to improve the combustion performance of diesel engines. The qualitative of alkanol components is particularly important for the quality control of biodiesel. A reliable analysis method is demanded to distinguish the various alkanols in biodiesel. This study employed diffusion-ordered nuclear magnetic resonance spectroscopy (DOSY NMR) to establish a quantitative relationship model between diffusion coefficients and molecular weights of n-alkanols in DMSO‑<em>d</em><sub>6</sub>. It is found that the deviation from theoretical molecular weight (ΔMW) of the external calibration curves (ECCs) using dimethyl sulfoxide (DMSO) (0.46–1.88) as internal standards can significantly reduce the MW error than the internal calibration curves (ICCs) (1.05–2.65). The calibration curve of ECCs shows excellent fitting degree (R<sup>2</sup> = 0.999) and effectively mitigates the impact of external variables: ΔMW remains within ±7 when the concentration ranges from 0.05 to 100 mg/mL or the temperature varies from 288 K to 308 K. Based on the molecular weight determined by this method, n-alkanols that differ by only one carbon atom could be distinguished accurately, and the method has been validated in actual biodiesel samples containing C<sub>4</sub>-C<sub>8</sub> n-alkanols.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138520"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Generation and stability of bulk nanobubbles in liquid fuel and their influence on spray characteristics 液体燃料中体积纳米气泡的产生、稳定性及其对喷雾特性的影响

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138474

Abinash Biswal , Suraj Prashad Sharma , Roger Cracknell , Hua Zhao , Xinyan Wang

Nanobubbles have attracted increasing attention due to their unique physicochemical properties; however, their application in fuel and combustion research remains limited. This study investigates the generation of air nanobubbles (ANBs) in gasoline and their influence on spray characteristics in gasoline direct injection (GDI) systems. ANBs were produced using a custom-designed hydrodynamic cavitation generator incorporating a zero-clearance pump. Dynamic light scattering and nanoparticle tracking analysis demonstrated the formation of a highly concentrated nanobubble population (

5.12 \times 10^{11}

particles/mL), with diameters ranging from 40 to 200 nm and a negative zeta potential between

-

20 and

-

25 mV, indicating good stability in gasoline. Spray behavior of ANB-enriched gasoline was evaluated in a constant-volume chamber using a single-hole GDI injector at injection pressures of 50, 100, and 150 bar. Diffused back illumination technique was employed to analyze macroscopic spray characteristics, while phase Doppler anemometry was used to measure droplet size and axial velocity distributions. Compared to baseline gasoline, ANB fuel exhibited consistently shorter penetration lengths, smoother spray boundaries, and lower spray density factors, suggesting improved atomization and air–fuel mixing. PDA measurements further revealed reduced axial droplet velocities, attributed to enhanced secondary breakup associated with nanobubble dynamics. These findings demonstrate that air nanobubbles can significantly influence spray development in GDI systems, offering a promising approach for improving fuel atomization and supporting the development of advanced, high-efficiency combustion technologies.

纳米气泡因其独特的物理化学性质而受到越来越多的关注；然而，它们在燃料和燃烧研究中的应用仍然有限。研究了汽油中空气纳米气泡（ANBs）的产生及其对汽油直喷（GDI）系统喷雾特性的影响。anb的生产使用了一个定制设计的流体动力空化发生器，其中包含一个零间隙泵。动态光散射和纳米颗粒跟踪分析表明，形成了一个高度集中的纳米气泡群（5.12×1011粒子/mL），直径在40 ~ 200 nm之间，负zeta电位在- 20 ~ - 25 mV之间，表明在汽油中具有良好的稳定性。使用单孔GDI喷油器，在喷射压力分别为50、100和150 bar的定容室中评估了anb富集汽油的喷射行为。采用扩散背照技术分析喷雾宏观特性，采用相位多普勒风速法测量液滴尺寸和轴向速度分布。与基准汽油相比，ANB燃料始终表现出更短的穿透长度、更平滑的喷雾边界和更低的喷雾密度因子，这表明雾化和空气-燃料混合得到了改善。PDA测量进一步显示轴向液滴速度降低，归因于与纳米气泡动力学相关的二次破碎增强。这些发现表明，空气纳米气泡可以显著影响GDI系统中的喷雾发展，为改善燃油雾化和支持先进、高效燃烧技术的发展提供了一种有前途的方法。

{"title":"Generation and stability of bulk nanobubbles in liquid fuel and their influence on spray characteristics","authors":"Abinash Biswal , Suraj Prashad Sharma , Roger Cracknell , Hua Zhao , Xinyan Wang","doi":"10.1016/j.fuel.2026.138474","DOIUrl":"10.1016/j.fuel.2026.138474","url":null,"abstract":"<div><div>Nanobubbles have attracted increasing attention due to their unique physicochemical properties; however, their application in fuel and combustion research remains limited. This study investigates the generation of air nanobubbles (ANBs) in gasoline and their influence on spray characteristics in gasoline direct injection (GDI) systems. ANBs were produced using a custom-designed hydrodynamic cavitation generator incorporating a zero-clearance pump. Dynamic light scattering and nanoparticle tracking analysis demonstrated the formation of a highly concentrated nanobubble population (<span><math><mn>5.12</mn><mo>×</mo><msup><mn>10</mn><mrow><mn>11</mn></mrow></msup></math></span> particles/mL), with diameters ranging from 40 to 200 nm and a negative zeta potential between <span><math><mo>−</mo></math></span>20 and <span><math><mo>−</mo></math></span>25 mV, indicating good stability in gasoline. Spray behavior of ANB-enriched gasoline was evaluated in a constant-volume chamber using a single-hole GDI injector at injection pressures of 50, 100, and 150 bar. Diffused back illumination technique was employed to analyze macroscopic spray characteristics, while phase Doppler anemometry was used to measure droplet size and axial velocity distributions. Compared to baseline gasoline, ANB fuel exhibited consistently shorter penetration lengths, smoother spray boundaries, and lower spray density factors, suggesting improved atomization and air–fuel mixing. PDA measurements further revealed reduced axial droplet velocities, attributed to enhanced secondary breakup associated with nanobubble dynamics. These findings demonstrate that air nanobubbles can significantly influence spray development in GDI systems, offering a promising approach for improving fuel atomization and supporting the development of advanced, high-efficiency combustion technologies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138474"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An accurate estimation of mobile oil in shale samples from Fengcheng Formation (Mahu Sag) via cryogenic preservation 利用低温保存技术对马湖凹陷丰城组页岩样品中可动油进行了准确估计

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138570

Zhengchen Zhang , Kouqi Liu , Feifei Luo , Yao Zhao , Mehdi Ostadhassan

The Fengcheng Formation of the Mahu Sag in Junggar Basin, is rich in resources and is one of the main layers for shale oil exploration and development in China. However, our current understanding from petrophysical properties of this formation and the amount of mobile hydrocarbons is still immature, especially mechanisms that causes alteration in the representativeness of the samples tested in the lab. To further investigate the mobility of shale oil, 11 core samples that have been instantaneously frozen and well-preserved at the drilling site under reservoir conditions and then kept in cryogenic state from Well X drilled through Fengcheng Formation of the Mahu Sag are examined by various methods. Mineralogy, pore structural properties via nitrogen adsorption, XRD analysis and multi-temperature pyrolysis were applied on the samples immediately after they were taken out of cryogenic conditions or 0, 1, 3, 7, and 14 days following unpacking. The study aimed to explore the amount of hydrocarbon loss and also variation in pore structural parameters in core samples that are well preserved vs. when they are kept at room temperature which is a common practice. Hence, based on this approach, a universal model of the changes in various properties of shale samples after they are extracted from the ground is established. Additionally, the impact of other factors, specifically various existing minerals, on the pore structure and the amount of mobile hydrocarbons were analyzed. To reveal time dependency of these parameters, ExpDec function was utilized to fit geochemical proxies (representing hydrocarbons of different molecular weight) and pore structural data from the samples tested in time sequence. Results showed that the presence of alkaline feldspar, specifically plagioclase, would impact pore structural variations since they host pore spaces as a result of dissolution. Furthermore, the loss of hydrocarbons and the changes in the pore spaces, specific surface area (SSA) in particular, with time are highly correlated and is expected to decrease as time of removal of the samples from reservoir conditions has passed. This approach allowed for the accurate prediction of mobile oil in shale samples that are not preserved prior to experimental analysis.

准噶尔盆地马湖凹陷丰城组资源丰富，是中国页岩油勘探开发的主要层位之一。然而，我们目前对该地层的岩石物理性质和可移动碳氢化合物的数量的了解仍然不成熟，特别是导致实验室测试样品代表性改变的机制。为了进一步研究页岩油的流动性，采用多种方法对马湖凹陷枫城组X井11个岩心样品进行了研究，这些岩心样品在储层条件下在钻井现场进行了瞬时冷冻保存，然后在低温状态下保存。在样品脱离低温条件后或开封后0、1、3、7、14天，通过氮吸附、XRD分析和多温度热解对样品进行矿物学、孔隙结构特性分析。该研究旨在探索保存良好的岩心样品与室温保存时的碳氢化合物损失量以及孔隙结构参数的变化，这是一种常见的做法。因此，基于该方法，建立了页岩样品开采后各种性质变化的通用模型。此外，还分析了其他因素，特别是各种现有矿物对孔隙结构和可动烃含量的影响。为了揭示这些参数的时间依赖性，利用ExpDec函数拟合地球化学指标（代表不同分子量的碳氢化合物）和从时间序列中测试样品的孔隙结构数据。结果表明，碱性长石，特别是斜长石的存在会影响孔隙结构的变化，因为它们由于溶解作用而占据孔隙空间。此外，碳氢化合物的损失和孔隙空间的变化，特别是比表面积（SSA），与时间高度相关，并且随着样品从储层条件中移除的时间的过去，预计会减少。这种方法可以准确预测在实验分析之前没有保存的页岩样品中的可动油。

{"title":"An accurate estimation of mobile oil in shale samples from Fengcheng Formation (Mahu Sag) via cryogenic preservation","authors":"Zhengchen Zhang , Kouqi Liu , Feifei Luo , Yao Zhao , Mehdi Ostadhassan","doi":"10.1016/j.fuel.2026.138570","DOIUrl":"10.1016/j.fuel.2026.138570","url":null,"abstract":"<div><div>The Fengcheng Formation of the Mahu Sag in Junggar Basin, is rich in resources and is one of the main layers for shale oil exploration and development in China. However, our current understanding from petrophysical properties of this formation and the amount of mobile hydrocarbons is still immature, especially mechanisms that causes alteration in the representativeness of the samples tested in the lab. To further investigate the mobility of shale oil, 11 core samples that have been instantaneously frozen and well-preserved at the drilling site under reservoir conditions and then kept in cryogenic state from Well X drilled through Fengcheng Formation of the Mahu Sag are examined by various methods. Mineralogy, pore structural properties via nitrogen adsorption, XRD analysis and multi-temperature pyrolysis were applied on the samples immediately after they were taken out of cryogenic conditions or 0, 1, 3, 7, and 14 days following unpacking. The study aimed to explore the amount of hydrocarbon loss and also variation in pore structural parameters in core samples that are well preserved vs. when they are kept at room temperature which is a common practice. Hence, based on this approach, a universal model of the changes in various properties of shale samples after they are extracted from the ground is established. Additionally, the impact of other factors, specifically various existing minerals, on the pore structure and the amount of mobile hydrocarbons were analyzed. To reveal time dependency of these parameters, ExpDec function was utilized to fit geochemical proxies (representing hydrocarbons of different molecular weight) and pore structural data from the samples tested in time sequence. Results showed that the presence of alkaline feldspar, specifically plagioclase, would impact pore structural variations since they host pore spaces as a result of dissolution. Furthermore, the loss of hydrocarbons and the changes in the pore spaces, specific surface area (SSA) in particular, with time are highly correlated and is expected to decrease as time of removal of the samples from reservoir conditions has passed. This approach allowed for the accurate prediction of mobile oil in shale samples that are not preserved prior to experimental analysis.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138570"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of physical and chemical properties on the thermal behaviour of coal: a comparative study and regression-based assessment of two Indian underground mines 物理和化学性质对煤热行为的影响：对两个印度地下矿井的比较研究和基于回归的评估

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138545

Laxman Pal , Patitapaban Sahu , Paidinaidu Paluri , Durga Charan Panigrahi

This study investigates the thermal properties, physical and chemical characterstics, pore morphology and mineral matter of coal samples collected from two underground mines of the Raniganj Coalfield at varying depths. The thermal conductivity, thermal diffusivity, and specific heat, measured using a Hot Disk Thermal Constants Analyser were found to range from 0.02 to 0.48 W/m/K, 5 × 10^-4 to 13.30 mm²/s and 0.01 to 13.05 MJ/m³/K, respectively. Multiple regression analysis revealed that virgin rock temperature (VRT), moisture and volatile matter were considered as significant parameters influencing the thermal properties of coal. VRT, moisture, and volatile matter were found to be in the ranges of 35.9–––42.9 °C, 2.72–––6.70%, and 35.99–––39.08%, respectively. The regression equations were also established to predict thermal conductivity and specific heat as functions of the above-mentioned influencing parameters. Moisture exhibits significant positive contributions to thermal conductivity, whereas volatile matter shows a pronounced negative effect. VRT exhibited a strong positive influence on specific heat. The findings of this study can provide valuable insights for heat management and the design of ventilation systems in underground coal mines.

本文研究了拉尼甘杰煤田两个地下矿井不同深度煤样的热物性、物理化学特征、孔隙形态和矿物成分。使用热盘热常数分析仪测量的导热系数、热扩散系数和比热分别为0.02至0.48 W/m/K、5 × 10-4至13.30 mm2/s和0.01至13.05 MJ/m3/K。多元回归分析表明，原生岩温度、水分和挥发物是影响煤热物性的重要参数。VRT、水分和挥发物的变化范围分别为35.9 ~ 42.9℃、2.72 ~ 6.70%和35.99 ~ 39.08%。建立了导热系数和比热随上述影响参数变化的回归方程。水分对热导率表现出显著的积极贡献，而挥发物则表现出明显的消极影响。VRT对比热有较强的正向影响。本研究结果可为煤矿井下热管理和通风系统设计提供有价值的见解。

{"title":"Influence of physical and chemical properties on the thermal behaviour of coal: a comparative study and regression-based assessment of two Indian underground mines","authors":"Laxman Pal , Patitapaban Sahu , Paidinaidu Paluri , Durga Charan Panigrahi","doi":"10.1016/j.fuel.2026.138545","DOIUrl":"10.1016/j.fuel.2026.138545","url":null,"abstract":"<div><div>This study investigates the thermal properties, physical and chemical characterstics<strong>,</strong> pore morphology and mineral matter of coal samples collected from two underground mines of the Raniganj Coalfield at varying depths. The thermal conductivity, thermal diffusivity, and specific heat, measured using a Hot Disk Thermal Constants Analyser were found to range from 0.02 to 0.48 W/m/K, 5 × 10<sup>-4</sup> to 13.30 mm<sup>2</sup>/s and 0.01 to 13.05 MJ/m<sup>3</sup>/K, respectively. Multiple regression analysis revealed that virgin rock temperature (VRT), moisture and volatile matter were considered as significant parameters influencing the thermal properties of coal. VRT, moisture, and volatile matter were found to be in the ranges of 35.9–––42.9 °C, 2.72–––6.70%, and 35.99–––39.08%, respectively. The regression equations were also established to predict thermal conductivity and specific heat as functions of the above-mentioned influencing parameters. Moisture exhibits significant positive contributions to thermal conductivity, whereas volatile matter shows a pronounced negative effect. VRT exhibited a strong positive influence on specific heat. The findings of this study can provide valuable insights for heat management and the design of ventilation systems in underground coal mines.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138545"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A novel CaO-based sorbent from industrial purification dust for sustainable high-temperature CO2 capture: Cyclic performance and mechanism 基于工业净化粉尘的新型吸附剂用于可持续高温CO2捕集：循环性能和机理

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138526

Zhengtong Zhu , Yifan Yang , Chao Yuan , Aihao Tian , Enna Wang , Rongrong Li , Kai Ma , Jianbin Zhang

Calcium-looping (CaL) chemical sorbents from calcium-rich solid waste are seen as highly regarded materials for high-temperature CO₂ capture due to their low cost and sustainability, but the materials’ factual uses are limited by rapid CO₂ adsorption capacity decay during carbonation-calcination cycles at elevated temperatures and the high cost of large-scale adsorbent production. In this work, a CaO-based adsorbent was successfully synthesized by direct calcination of industrial purification dust (IPD) with high Ca and Mg content, an abundant calcium carbide production industrial solid waste, was simple and facile synthesized. Systematic studies established the optimal calcination and carbonation-calcination conditions, under which the CaO-based sorbent from the IPD exhibited an initial CO₂ uptake of 226.17 mg/g and retained 87.92 % of its capacity after 50 cycles, only corresponding to a loss of 12.08 %. The initial adsorption capacity of IPD adsorbents is low due to their lower calcium content, but the high proportion of inert components results in outstanding cycle stability. Mechanism investigation revealed that the exceptional cyclic stability arises from two synergistic effects: (I) High-content MgO, in the form of rhombic nanoparticles, coats CaO particles to form a physical barrier that inhibits CaO sintering and agglomeration, and (Ⅱ) Ca₁₂Al₁₄O₃₃ and silicate phases provide additional skeletal reinforcement during cycling processes. Owing to its facile preparation, low cost, and structural robustness, the CaO-based sorbent from the IPD offers strong potential for large-scale, sustainable CO₂ capture, and provides new insights into the rational design of durable Ca-based adsorbents.

从富含钙的固体废物中提取的钙环（CaL）化学吸附剂因其低成本和可持续性而被视为高温二氧化碳捕获的重要材料，但由于高温碳化-煅烧循环过程中二氧化碳吸附能力的快速衰减以及大规模吸附剂生产的高成本，该材料的实际使用受到限制。本研究以钙镁含量高的工业净化粉尘（IPD）为原料，采用直接煅烧法合成了一种简便易行的高钙基吸附剂。系统研究确定了最佳的煅烧和碳化-煅烧条件，在此条件下，IPD的cao基吸附剂初始CO2吸收率为226.17 mg/g，循环50次后吸附剂容量保留率为87.92%，损失仅为12.08%。由于IPD吸附剂的钙含量较低，其初始吸附容量较低，但惰性成分的高比例使其具有出色的循环稳定性。机理研究表明，优异的循环稳定性源于两种协同效应：(1)高含量MgO以菱形纳米颗粒的形式包裹CaO颗粒形成物理屏障，抑制CaO烧结和团聚，（Ⅱ）Ca12Al14O33和硅酸盐相在循环过程中提供额外的骨架增强。由于制备简单，成本低，结构坚固，IPD的cao基吸附剂具有大规模，可持续的CO2捕获的强大潜力，并为耐用的ca基吸附剂的合理设计提供了新的见解。

{"title":"A novel CaO-based sorbent from industrial purification dust for sustainable high-temperature CO2 capture: Cyclic performance and mechanism","authors":"Zhengtong Zhu , Yifan Yang , Chao Yuan , Aihao Tian , Enna Wang , Rongrong Li , Kai Ma , Jianbin Zhang","doi":"10.1016/j.fuel.2026.138526","DOIUrl":"10.1016/j.fuel.2026.138526","url":null,"abstract":"<div><div>Calcium-looping (CaL) chemical sorbents from calcium-rich solid waste are seen as highly regarded materials for high-temperature CO<sub>2</sub> capture due to their low cost and sustainability, but the materials’ factual uses are limited by rapid CO<sub>2</sub> adsorption capacity decay during carbonation-calcination cycles at elevated temperatures and the high cost of large-scale adsorbent production. In this work, a CaO-based adsorbent was successfully synthesized by direct calcination of industrial purification dust (IPD) with high Ca and Mg content, an abundant calcium carbide production industrial solid waste, was simple and facile synthesized. Systematic studies established the optimal calcination and carbonation-calcination conditions, under which the CaO-based sorbent from the IPD exhibited an initial CO<sub>2</sub> uptake of 226.17 mg/g and retained 87.92 % of its capacity after 50 cycles, only corresponding to a loss of 12.08 %. The initial adsorption capacity of IPD adsorbents is low due to their lower calcium content, but the high proportion of inert components results in outstanding cycle stability. Mechanism investigation revealed that the exceptional cyclic stability arises from two synergistic effects: (I) High-content MgO, in the form of rhombic nanoparticles, coats CaO particles to form a physical barrier that inhibits CaO sintering and agglomeration, and (Ⅱ) Ca<sub>12</sub>Al<sub>14</sub>O<sub>33</sub> and silicate phases provide additional skeletal reinforcement during cycling processes. Owing to its facile preparation, low cost, and structural robustness, the CaO-based sorbent from the IPD offers strong potential for large-scale, sustainable CO<sub>2</sub> capture, and provides new insights into the rational design of durable Ca-based adsorbents.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138526"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076260","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Closing the loop: 4E valorisation of waste-PET into renewable fuels 闭环：4E将废物pet转化为可再生燃料

IF 7.5 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2026-01-29 DOI: 10.1016/j.fuel.2026.138367

Sina Pashazadeh Khosroshahi, Masoumeh Bararzadeh Ledari, Taraneh Esmaeili Ceresht, Sajed Ahmadi, Arya Fathian Sabet, Farhad Maleki

Sustainability assessments of petrochemical production systems often focus on single products and overlook the potential role of plastic waste in integrated value chains. This study develops an Integrated Exergy, Sustainability, Thermoeconomic and Environmental Evaluation (IESTE) framework to assess the valorisation of waste polyethylene terephthalate (PET) within circular petrochemical systems.

The proposed framework combines conventional 4E analysis with advanced sustainability indicators, including depletion number (D_p), sustainability index (SI), renewable exergy fraction (Ω), and exergy cycling fraction (Ψ). Parallel green (waste-PET-based) and gray (natural-gas-based) production pathways for ammonia, methanol, diesel and light olefins are modelled under a unified system boundary. All major process units—PET gasification, steam methane reforming, reverse water–gas shift and downstream synthesis—are rigorously simulated using Aspen Plus and applied to a real industrial case study of the Khorasan Petrochemical Complex in Iran.

Simulation results show that increasing the gasification temperature from 700 °C to 800 °C enhances gas yield and reduces tar formation, with the maximum cold-gas energy conversion efficiency reaching approximately 29 % at 800 °C. Steam gasification produces a hydrogen-rich syngas with an H₂/CO ratio close to 1, suitable for downstream methanol and Fischer–Tropsch synthesis, whereas air-assisted gasification results in higher CO₂ dilution and lower hydrogen content. Although fossil-based pathways achieve 2–2.5 times higher exergy efficiencies, their depletion numbers exceed unity. In contrast, waste-PET-based pathways exhibit depletion numbers below unity, renewable exergy fractions above 85 %, cost reductions of up to 39 %, and environmental impact reductions of up to 80 %.

Overall, the results demonstrate that waste-PET gasification offers a technically feasible and systemically sustainable pathway for SDG-aligned, circular petrochemical production.

对石化生产系统的可持续性评估往往侧重于单一产品，而忽视了塑料废物在综合价值链中的潜在作用。本研究开发了一个综合能源、可持续性、热经济和环境评估（IESTE）框架，以评估循环石化系统中废弃聚对苯二甲酸乙二醇酯（PET）的价值。提出的框架将传统的4E分析与先进的可持续性指标相结合，包括耗竭数（Dp）、可持续性指数（SI）、可再生火用分数（Ω）和火用循环分数（Ψ）。平行的绿色（基于废物pet）和灰色（基于天然气）生产氨、甲醇、柴油和轻质烯烃的途径在统一的系统边界下建模。所有主要的工艺单元——pet气化、蒸汽甲烷重整、逆向水气转换和下游合成——都使用Aspen Plus进行了严格的模拟，并应用于伊朗呼罗珊石化总厂的实际工业案例研究。模拟结果表明，将气化温度从700℃提高到800℃，可以提高产气量，减少焦油的形成，800℃时冷气能量转换效率最高可达29%左右。蒸汽气化产生H2/CO比接近1的富氢合成气，适用于下游的甲醇和费托合成，而空气辅助气化产生更高的CO2稀释度和更低的氢含量。尽管基于化石燃料的途径的能源效率提高了2-2.5倍，但它们的耗竭数量超过了1倍。相比之下，基于废物pet的途径表现出低于1的耗竭数字，可再生能源比例超过85%，成本降低高达39%，环境影响降低高达80%。总体而言，研究结果表明，废物- pet气化为符合可持续发展目标的循环石化生产提供了技术上可行和系统可持续的途径。

{"title":"Closing the loop: 4E valorisation of waste-PET into renewable fuels","authors":"Sina Pashazadeh Khosroshahi, Masoumeh Bararzadeh Ledari, Taraneh Esmaeili Ceresht, Sajed Ahmadi, Arya Fathian Sabet, Farhad Maleki","doi":"10.1016/j.fuel.2026.138367","DOIUrl":"10.1016/j.fuel.2026.138367","url":null,"abstract":"<div><div>Sustainability assessments of petrochemical production systems often focus on single products and overlook the potential role of plastic waste in integrated value chains. This study develops an Integrated Exergy, Sustainability, Thermoeconomic and Environmental Evaluation (IESTE) framework to assess the valorisation of waste polyethylene terephthalate (PET) within circular petrochemical systems.</div><div>The proposed framework combines conventional 4E analysis with advanced sustainability indicators, including depletion number (D<sub>p</sub>), sustainability index (SI), renewable exergy fraction (Ω), and exergy cycling fraction (Ψ). Parallel green (waste-PET-based) and gray (natural-gas-based) production pathways for ammonia, methanol, diesel and light olefins are modelled under a unified system boundary. All major process units—PET gasification, steam methane reforming, reverse water–gas shift and downstream synthesis—are rigorously simulated using Aspen Plus and applied to a real industrial case study of the Khorasan Petrochemical Complex in Iran.</div><div>Simulation results show that increasing the gasification temperature from 700 °C to 800 °C enhances gas yield and reduces tar formation, with the maximum cold-gas energy conversion efficiency reaching approximately 29 % at 800 °C. Steam gasification produces a hydrogen-rich syngas with an H<sub>2</sub>/CO ratio close to 1, suitable for downstream methanol and Fischer–Tropsch synthesis, whereas air-assisted gasification results in higher CO<sub>2</sub> dilution and lower hydrogen content. Although fossil-based pathways achieve 2–2.5 times higher exergy efficiencies, their depletion numbers exceed unity. In contrast, waste-PET-based pathways exhibit depletion numbers below unity, renewable exergy fractions above 85 %, cost reductions of up to 39 %, and environmental impact reductions of up to 80 %.</div><div>Overall, the results demonstrate that waste-PET gasification offers a technically feasible and systemically sustainable pathway for SDG-aligned, circular petrochemical production.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"416 ","pages":"Article 138367"},"PeriodicalIF":7.5,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fuel最新文献