FuelPub Date : 2025-05-29DOI: 10.1016/j.fuel.2025.135702
Yan Ge , Jian Cheng , Ruiqi Shen
{"title":"Metal-organic frames (MOFs) effects on the microwave ignition of ADN-based liquid propellant","authors":"Yan Ge , Jian Cheng , Ruiqi Shen","doi":"10.1016/j.fuel.2025.135702","DOIUrl":"10.1016/j.fuel.2025.135702","url":null,"abstract":"<div><div>Ammonium dinitramide (ADN) liquid propellants are mostly used in catalytic ignition, but catalyst deactivation is a common issue during the heating process. Microwave is used as the energy source to ignite ADN, so as to avoid the technical bottleneck of traditional catalytic ignition of ADN. However, pure ADN solution fails to ignite under microwave radiation. Metal-organic frameworks (MOFs) can significantly enhance the absorption of electromagnetic energy owing to their superior electromagnetic absorption capabilities. In this work, we introduce a methodology for igniting and combusting ADN through the incorporation of MOFs, which serve as hotspots and absorbent materials under microwave irradiation. The ignition conditions of ADN with magnetic and non-magnetic MOFs under microwave radiation were systematically compared and analyzed. In comparison to pure ADN solutions, MOFs’ exceptional wave absorption performance augments the sample’s capacity to absorb and convert electromagnetic energy per unit time. By adjusting the ratio between ADN and MOFs, the maximum microwave absorption effect is achieved. Ignition experiments demonstrate that the incorporation of MOFs facilitates successful ignition of ADN under microwave radiation. Microwave ignition of ADN was achieved at MOF 5.0 wt%, with delay times inversely proportional to input power. The optimal 7.5 wt% MOF composition demonstrated prefer ignition efficiency in the ADN/MOF system. Despite variations in MOFs types, ADN/MOFs composites exhibit identical ignition and combustion phenomena under microwave radiation. In summary, this study establishes a foundation for microwave radiation-induced ignition of ADN with MOFs and enhances the efficiency of microwave energy utilization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"401 ","pages":"Article 135702"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169595","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}
FuelPub Date : 2025-05-29DOI: 10.1016/j.fuel.2025.135723
Xudong Gao , Kai Zhang , Dongqi Ji , Haoming Ma , Yang Meng , Shu Jiang , Wei Tian , Yuhang Tang , Liu He , Chaohua Liu , Hon Chung Lau , Zhangxin Chen
{"title":"A proposed layout of CO2 capture utilization and storage for coal fired power plants in China","authors":"Xudong Gao , Kai Zhang , Dongqi Ji , Haoming Ma , Yang Meng , Shu Jiang , Wei Tian , Yuhang Tang , Liu He , Chaohua Liu , Hon Chung Lau , Zhangxin Chen","doi":"10.1016/j.fuel.2025.135723","DOIUrl":"10.1016/j.fuel.2025.135723","url":null,"abstract":"<div><div>This study aims to decarbonize coal-fired power plants (CFPPs) in China through CO<sub>2</sub> source-sink matching analysis. A comprehensive assessment of CO<sub>2</sub> emissions from China’s CFPPs and the CO<sub>2</sub> sequestration potential of oil and gas fields in China is investigated. A detailed CO<sub>2</sub> source-sink matching analysis is performed. Afterwards, the pros and cons of the associated CO<sub>2</sub> capture, utilization and storage (CCUS) deployment are discussed. There are CO<sub>2</sub> emissions of 4,814.23 Mtpa from 972 existing CFPPs in China. The estimated CO<sub>2</sub> storage capacity of 556 oil fields and 164 gas fields is 5.31 Gt and 5.50 Gt, respectively. Furthermore, there is a CO<sub>2</sub> reduction potential of 1.03 Gt to 5.12 Gt in the oil and gas fields in China by 2060. The investment cost for CCUS projects between 2030 and 2060 ranges from $26.5 billion to $167 billion. A net present value (NPV) of $12.4 billion to $68.3 billion can be generated by deploying the CCUS projects. Finally, the top ten CCUS projects for the CFPPs in China are proposed.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"401 ","pages":"Article 135723"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169598","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}
FuelPub Date : 2025-05-29DOI: 10.1016/j.fuel.2025.135842
Lua Morena Leoncio de Oliveira , Flávia Lima e Cima Miranda , Fabio Xavier Antunes Sampaio , Diego Nery do Amaral , Karina Santos Garcia , Antonio Fernando de Souza Queiroz , Edilson Valmir Benvenutti , Maria Elisabete Machado
{"title":"Silica decorated with palladium nanoparticles applied in a miniaturized method to separation and quantification of sulfur-containing compounds in fuel samples","authors":"Lua Morena Leoncio de Oliveira , Flávia Lima e Cima Miranda , Fabio Xavier Antunes Sampaio , Diego Nery do Amaral , Karina Santos Garcia , Antonio Fernando de Souza Queiroz , Edilson Valmir Benvenutti , Maria Elisabete Machado","doi":"10.1016/j.fuel.2025.135842","DOIUrl":"10.1016/j.fuel.2025.135842","url":null,"abstract":"<div><div>This paper presents the synthesis of novel silica decorated with palladium nanoparticles (PdNP) and its application as a stationary phase in a miniaturized fractionation procedure to quantify polycyclic aromatic sulfur heterocycles (PASHs) in fuel samples. The PdNP phase was characterized by morphological and textural analyses and a high surface area (450 m<sup>2</sup> g<sup>−1</sup>) and very small palladium nanoparticles (4.1 nm of diameter) were obtained. The influence of experimental variables such as solvent used in the elution and the amount of stationary phase and sample has been considered in the optimization process to obtain a miniaturized fractionation. The PASHs were analyzed by gas chromatography coupled to a triple quadruple mass spectrometer (GC–MS/MS). Under optimum conditions, the procedure was validated in terms of linearity, accuracy and precision. The limit of detection ranged from 0.012 mg L<sup>−1</sup> (benzothiophene) to 0.058 mg L<sup>−1</sup> (benzonaphthothiophene). Correlation coefficients (R<sup>2</sup>) ≥ 0.99 were obtained for all compounds. The mean recovery for most of PASHs ranged from 66.2 ± 5 % to 119 ± 3 %, with interday and intraday precision <20 %. The proposed procedure was applied to determine PASHs in four fuel samples from different origins and total sulfur. The concentrations ranged from 0.406 ug g<sup>−1</sup> to 4362 µg g<sup>−1</sup>. PASH compounds were mainly DBT and BNT classes. The obtained results open the possibility of further applications of the PdNP phase in environmentally friendly procedures for the perspectives of fuels and biofuels with increasingly lower concentrations of PASH.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"401 ","pages":"Article 135842"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169596","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}
FuelPub Date : 2025-05-29DOI: 10.1016/j.fuel.2025.135800
Mingqing Su , Yingquan Duo , Sining Chen , Bingyou Jiang , Dawei Ding , Jingjing Li , Kai Zhang , Lijun Wei
{"title":"Study on the explosion suppression characteristics of ethylene/polyethylene hybrid mixtures by melamine polyphosphate","authors":"Mingqing Su , Yingquan Duo , Sining Chen , Bingyou Jiang , Dawei Ding , Jingjing Li , Kai Zhang , Lijun Wei","doi":"10.1016/j.fuel.2025.135800","DOIUrl":"10.1016/j.fuel.2025.135800","url":null,"abstract":"<div><div>The characteristics of gas–solid hybrid explosions are heavily influenced by their components and suppressants, making this a critical focus in industrial explosion prevention research. The effects of ethylene (C<sub>2</sub>H<sub>4</sub>) on the explosion characteristics of polyethylene (PE) dust were investigated using a 20 L explosion sphere apparatus, and the suppressive performance of melamine polyphosphate (MPP) on C<sub>2</sub>H<sub>4</sub>/PE hybrid explosions was evaluated. The study systematically investigated explosion overpressure, flame propagation, explosion products, and the chemical reaction kinetics. The results indicate that as C<sub>2</sub>H<sub>4</sub> concentration increases, the explosion intensity of the gas–solid hybrid mixture initially increases, reaching a maximum at 7 %, before decreasing. The incorporation of 70 wt% MPP reduced the maximum explosion pressure (<em>P</em><sub>max</sub>) and flame propagation speed of the hybrid mixtures by 11.19 % and 37.74 %, respectively. The addition of C<sub>2</sub>H<sub>4</sub> significantly accelerated the pyrolysis and oxidation of PE dust, leading to the release of highly reactive free radicals. These radicals enhanced the porosity and induced cracking in the explosion product particles. In contrast, the MPP inhibited the reactions through “HOPO ⇋ PO<sub>2</sub>” and “HOPO<sub>2</sub>⇋PO<sub>2</sub>” suppression cycles, which efficiently consumed H, OH, and O free radicals. This decreased the chain reaction intensity and suppressed combustion by forming phosphorus oxides and nitrogen-containing compounds. Although MPP showed some effect in inhibiting the explosion of the C<sub>2</sub>H<sub>4</sub>/PE hybrid system, the presence of C<sub>2</sub>H<sub>4</sub> significantly altered the reaction kinetics and radical generation pathways of the system, which made the difficulty of explosion inhibition increased compared to the original mixture without C<sub>2</sub>H<sub>4</sub>.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"401 ","pages":"Article 135800"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169597","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}
FuelPub Date : 2025-05-29DOI: 10.1016/j.fuel.2025.135822
Linshui Lian , Tianmin Lu , Chunying Xu , Xue Luo , Shuwen Xie , Cai-e Wu , Zhen Cao , Tingting Zhou , Leilei Xu , Mindong Chen
{"title":"Expanded surface amino-functionalization on diverse supports for highly dispersed and efficient Ni-based CO2 methanation catalysts","authors":"Linshui Lian , Tianmin Lu , Chunying Xu , Xue Luo , Shuwen Xie , Cai-e Wu , Zhen Cao , Tingting Zhou , Leilei Xu , Mindong Chen","doi":"10.1016/j.fuel.2025.135822","DOIUrl":"10.1016/j.fuel.2025.135822","url":null,"abstract":"<div><div>Ni-based catalysts are widely studied for CO<sub>2</sub> methanation due to their cost-effectiveness and abundance. However, they face challenges such as thermal sintering at high temperatures and insufficient activity at low temperatures due to kinetic barriers. To address these issues, this study built on previous work using amino-functionalized KCC-1 support [<span><span>1</span></span>] and extended the approach to porous silica-based materials (SBA-15, MCM-41, ZSM-5, SiO<sub>2</sub>) and metal oxides (Al<sub>2</sub>O<sub>3</sub>) with abundant surface hydroxyl groups. These supports were functionalized with amino groups and employed for Ni-based catalysts, demonstrating the universal applicability of this approach across diverse support materials. The amino-functionalized surface promoted the regioselective precipitation of Ni precursors within porous channels, yielding highly dispersed Ni nanoparticles. Comprehensive characterizations (XRD, FT-IR, SEM-EDS, TEM, XPS, H<sub>2</sub>-TPR, CO<sub>2</sub>-TPD) revealed improved Ni dispersion, redox performance, metal-support interactions, and surface basicity. Additionally, in-situ DRIFTS was used to elucidate the reaction mechanisms of CO<sub>2</sub> methanation over these catalysts. Results showed that amino-functionalization anchored Ni active sites, producing smaller, uniformly dispersed nanoparticles, significantly enhancing CO<sub>2</sub> conversion and CH<sub>4</sub> selectivity, particularly improving low-temperature activity. Notably, the low-temperature activity improved substantially, with the CO<sub>2</sub> conversion increasing from 22.2 % (20Ni/SBA-15) to 55.4 % (20Ni/AF-SBA-15) at 280 °C. This approach demonstrated universal applicability across diverse supports, offering a promising strategy for improving Ni-based catalyst performance in CO<sub>2</sub> methanation and potentially other catalytic reactions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135822"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168774","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}
{"title":"Study on the influence of surfactants on the wetting of bituminous coal by halogen salt inhibitors: Molecular simulation and experimental characterization","authors":"Hongwei Zhang , Hongbao Zhao , Rupeng Zhai , Yuxuan Guo , Li Wu","doi":"10.1016/j.fuel.2025.135833","DOIUrl":"10.1016/j.fuel.2025.135833","url":null,"abstract":"<div><div>This study addresses the issues of poor wettability, inadequate water absorption, and short duration of halogen salt inhibitors by modifying them with four dodecyl-type anionic surfactsants:SDBS, MAPK, SDS, and ALSA. A combined approach of molecular simulation and experimentation was employed to investigate their wetting effects on bituminous coal. Molecular dynamics simulations revealed that polar groups of surfactants enhance solution wettability through hydrogen bonding. The ALSA system formed 1,338 hydrogen bonds, exceeding other surfactants by at least 9.09 %. The ALSA-modified inhibitor demonstrated the strongest water molecule infiltration intensity along the Z-axis, maximum penetration depth: 38.0318 Å, largest overlap area in relative concentration curves with coal, and highest isothermal water absorption, indicating optimal wetting. Quantum chemical simulations identified ALSA as having the best microreactivity. All four surfactants exhibited hydrophilic head groups and hydrophobic tail chains, functioning as “bridges” at the coal-inhibitor solution interface to enhance wettability. Experimental results showed that the ALSA-modified inhibitor achieved the most significant contact angle reduction 66.50 %, fastest settling rate, optimal water retention 32.71 %, and most complete oxygen-blocking film after drying. Both experiments and simulations consistently demonstrated that all four surfactants effectively enhance the wettability of halogen salt inhibitors on bituminous coal, with the improvement order being ALSA > SDS > SDBS > MAPK. The findings provide theoretical foundations and practical references for the application and optimization of inhibitors in coal spontaneous combustion prevention.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135833"},"PeriodicalIF":6.7,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168776","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}
FuelPub Date : 2025-05-28DOI: 10.1016/j.fuel.2025.135757
Yanqi Zhang, Jiangkuan Xing, Zhenhua An, Ryoichi Kurose
{"title":"Numerical study on preferential evaporation and combustion characteristic of SAF/Jet A spray flames stabilized in a laminar counter-flow","authors":"Yanqi Zhang, Jiangkuan Xing, Zhenhua An, Ryoichi Kurose","doi":"10.1016/j.fuel.2025.135757","DOIUrl":"10.1016/j.fuel.2025.135757","url":null,"abstract":"<div><div>Understanding and modeling the preferential evaporation characteristics of spray flames of blended sustainable aviation fuels (SAFs) and conventional jet fuels are crucial for their clean and efficient use in aircraft engines. The present study aims to investigate the preferential evaporation and combustion characteristics of spray flames of blended SAFs and Jet A mixtures stabilized in a laminar counter-flow configuration using direct numerical simulations (DNSs) with the HyChem chemistry model. In particular, three droplet diameters and two strain rates are considered to study a wide range of Stokes numbers. An <em>a priori</em> study of an extended flamelet/progress variable (E-FPV) model is also conducted to evaluate its performance in reproducing the preferential evaporation effect. The results demonstrate that the spray flames of ATJ-SPK/Jet A exhibit flame structures similar to those of the single-component fuels studied in existing research. The preferential evaporation behavior under different spray flame structures is emphasized. At low Stokes numbers, single fuel-side premixed flames form, leading to weak preferential evaporation. As the Stokes number increases, diffusion flames resulting from internal droplet group combustion emerge, accompanied by double flame structures. They spatially separate different fuel streams, resulting in significantly stronger preferential evaporation. With a further increase in droplet penetration, the air-side flame front transitions to premixed flames associated with the envelope flame. This reduces mixing between fuel streams from different droplets, thereby enhancing preferential evaporation. In cases of strong preferential evaporation, the E-FPV model outperforms the conventional model, particularly in predicting minor species.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135757"},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147209","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}
FuelPub Date : 2025-05-28DOI: 10.1016/j.fuel.2025.135834
Zhenghao Yang , Guangyu Jia , Yang Du , Ziwen Fang , Xu Gao , Guangyu He , Zhengbiao Wang
{"title":"Investigation of high-tumble chamber of ammonia-hydrogen fueled elliptical rotary engine based on turbulence and combustion characteristics","authors":"Zhenghao Yang , Guangyu Jia , Yang Du , Ziwen Fang , Xu Gao , Guangyu He , Zhengbiao Wang","doi":"10.1016/j.fuel.2025.135834","DOIUrl":"10.1016/j.fuel.2025.135834","url":null,"abstract":"<div><div>The ammonia-hydrogen dual-fuel elliptical rotary engine (AH-ERE) is a promising novel power system within the low-carbon context. To enhance the combustion and emission performances of AH-ERE, this paper investigates the optimized high-tumble chamber arrangement from both aspects of cylinder configuration (front configuration FC, middle configuration MC, and rear configuration RC) and hydrogen injection angle (<em>HIA</em> = 0°, 45°, and 60°). On this basis, the characteristics of the flow field and mixture distribution under different operating conditions are compared from the perspective of in-cylinder swirl and tumble flow emphatically. Finally, the improvement of combustion, power and emission performance by cylinder configuration and <em>HIA</em> is analyzed. The results indicate that under MC-A60 condition, the hydrogen jet tends to accumulate inside the external chamber due to the effect of wall blocking and high tumble ratio. This phenomenon significantly promotes the flame propagation, resulting in the highest indicated power of 11.30 kW and NO<sub>x</sub> emission of 41.07 ppm. As the <em>HIA</em> decreases to 45°, the dispersed combustion caused by long hydrogen penetration distance and high <em>TKE</em> leads to a 55.10 % reduction in NO<sub>x</sub>, at a slight expense of power performance. In comparison, the RC cylinder has more uniform hydrogen distribution and significant clockwise tumble. The RC-A30 condition can reduce NO<sub>x</sub> emission to 20.09 % of MC-A60 condition while maintaining the indicated power of 10.87 kW, performing better in terms of emission performance.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135834"},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168773","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}
FuelPub Date : 2025-05-28DOI: 10.1016/j.fuel.2025.135813
Yujie Wu , Jiyoon Shin , Hao-Yang Li , Zhe Lv , Pei-Chen Su
{"title":"Enhancing nanoparticle stability of Sr1.9Fe1.5Mo0.5O6–δ electrode in solid oxide fuel cells via praseodymium oxide infiltrated surface protection layer","authors":"Yujie Wu , Jiyoon Shin , Hao-Yang Li , Zhe Lv , Pei-Chen Su","doi":"10.1016/j.fuel.2025.135813","DOIUrl":"10.1016/j.fuel.2025.135813","url":null,"abstract":"<div><div>Mitigating nanoparticle agglomeration on anode ceramic electrodes is critical for maintaining performance during the long-term operation of solid oxide fuel cells. We infiltrate praseodymium into A-site deficient Sr<sub>1.9</sub>Fe<sub>1.5</sub>Mo<sub>0.5</sub>O<sub>6–δ</sub> (SFM), where the surface exsolved Fe nanoparticles due to the non-stoichiometric composition are effectively stabilized to improve the SFM electrode stability. The infiltrated praseodymium reacts with exsolved surface Fe nanoparticles and forms praseodymium ferrite, while the excess Pr<sub>6</sub>O<sub>11</sub> reduces to Pr<sub>x</sub>O<sub>y</sub>, creating a protective surface film to mitigate Fe nanoparticle degradation and improving the electrode performance stability. The infiltrated Pr also improves surface charge transfer, significantly reducing electrode polarization resistance. The infiltrated Pr surface protective layer offers a promising strategy for long-term electrode durability in solid oxide fuel cells.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135813"},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147214","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}
FuelPub Date : 2025-05-28DOI: 10.1016/j.fuel.2025.135804
Yunze Lei , Wei Dang , Qin Zhang , Haikuan Nie , Lindong Shangguan , Jiao Zhang , Guichao Du , Yankai Xue , Xin Zhang
{"title":"Understanding the mechanisms of light oil adsorption in shale: Insights from thermodynamics and kinetics","authors":"Yunze Lei , Wei Dang , Qin Zhang , Haikuan Nie , Lindong Shangguan , Jiao Zhang , Guichao Du , Yankai Xue , Xin Zhang","doi":"10.1016/j.fuel.2025.135804","DOIUrl":"10.1016/j.fuel.2025.135804","url":null,"abstract":"<div><div>Adsorption is a critical process for oil storage and transport in shale formations, and a thorough understanding of such processes is essential for accurately assessing the adsorbed oil content and improving shale oil development efficiency. Despite the importance of adsorption in shale oil reservoirs, few studies have explored the adsorption mechanisms of oil in shale from both thermodynamic and kinetic perspectives in the past, even though these two factors significantly govern the adsorption process. To this end, this study selects n-heptane (C<sub>7</sub>H<sub>16</sub>) and shale as the adsorbate-adsorbent pair, and aims to fill this gap by integrating isothermal adsorption experiments with adsorption thermodynamic and kinetic models. The results show that the adsorption/desorption isotherms of light oil in shale follow a Type II curve and exhibits unclosed hysteresis loop due to strong oil-shale interaction and oil dissolution in organic matter. Compared to BET model, the Dent model provides the best fit for the adsorption isotherms, indicating that the light oil adsorption process involves multilayer adsorption at two distinct sites. Thermodynamic parameters, including Δ<em>H</em> (−3.98 kJ/mol), Δ<em>G</em> (−0.2385 kJ/mol), Δ<em>S</em> (−0.0126 kJ/mol·K), and <em>q</em><sub>st</sub> (11.72 kJ/mol), confirm that light oil adsorption is an exothermic, weakly to moderately spontaneous, entropy-reducing, and physical process. Kinetic analysis reveals that the double-exponential model best describes the adsorption kinetics (<em>R</em><sup>2</sup> > 0.95, RMSE ≤ 0.05), indicating the light oil adsorption in shale is a two-stage process: a rapid adsorption stage driven by external diffusion and a slower stage controlled by intraparticle diffusion. These thermodynamic and kinetic characteristics provide abundant and novel information for deeply understanding the shale oil adsorption mechanisms.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"400 ","pages":"Article 135804"},"PeriodicalIF":6.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147215","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}