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Alum and anaerobic sludge-derived high-performance electrocatalyst for enhanced oxygen reduction reaction in microbial fuel cell
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135339
Lakshmi Pathi Thulluru , Anil Dhanda , Makarand M. Ghangrekar , Shamik Chowdhury
{"title":"Alum and anaerobic sludge-derived high-performance electrocatalyst for enhanced oxygen reduction reaction in microbial fuel cell","authors":"Lakshmi Pathi Thulluru ,&nbsp;Anil Dhanda ,&nbsp;Makarand M. Ghangrekar ,&nbsp;Shamik Chowdhury","doi":"10.1016/j.fuel.2025.135339","DOIUrl":"10.1016/j.fuel.2025.135339","url":null,"abstract":"<div><div>The present investigation demonstrates the facile synthesis of an inexpensive sludge-derived cathode electrocatalyst for application in microbial fuel cell (MFC). The electrocatalyst is prepared <em>via</em> hydrothermal treatment of a mixture of alum (AL) sludge and anaerobic (AN) sludge, derived from water and wastewater treatment plants, respectively. The as-synthesized catalyst (AL:AN = 2:1) possesses excellent physicochemical properties, along with the presence of pyridinic N and graphitic N moieties in its carbonaceous structure, leading to a superior electrochemical activity. The composite also presents a lower reduction in the relative current response (18.53 %) when subjected to an accelerated sulphide poisoning test compared to Pt/C (44.33 % reduction). Moreover, application of the synthesized catalyst (AL:AN = 2:1) in MFC results in a power density of 11.63 ± 1.61 W m<sup>−3</sup>, organic matter removal of 75.11 ± 3.57 %, and coulombic efficiency of 32.23 ± 0.83 %, which is comparable to the conventional MFC–platinum/carbon system (12.46 ± 0.86 W m<sup>−3</sup>). The results of this investigation endorse the utilization of the as-developed sludge composite as a cathode catalyst for field-scale applications of MFC. It also provides a cost-effective approach for sludge valorization and enhancing the performance of MFC, which is critical from the viewpoint of sustainable development.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135339"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848166","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
CO2 methanation over Ru catalysts: Support engineering on the induction period via tuning metal-support interaction
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135413
Kai Jiang , Xiaotian Zhou , Yongzhen Gao , Tao Yang , Meng Zhang , Zhihong Xu , Zhongyi Liu
{"title":"CO2 methanation over Ru catalysts: Support engineering on the induction period via tuning metal-support interaction","authors":"Kai Jiang ,&nbsp;Xiaotian Zhou ,&nbsp;Yongzhen Gao ,&nbsp;Tao Yang ,&nbsp;Meng Zhang ,&nbsp;Zhihong Xu ,&nbsp;Zhongyi Liu","doi":"10.1016/j.fuel.2025.135413","DOIUrl":"10.1016/j.fuel.2025.135413","url":null,"abstract":"<div><div>Support engineering on the induction period during CO<sub>2</sub> methanation over Ru catalysts were highlighted. The evaluation at 400 °C illustrated that the initial reaction rate over Ru/CeO<sub>2</sub> (52.3 <span><math><mrow><mi>μ</mi><mi>m</mi><mi>o</mi><msub><mi>l</mi><msub><mrow><mi>CO</mi></mrow><mn>2</mn></msub></msub><mo>·</mo><msubsup><mi>g</mi><mrow><mi>cat</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msubsup><mo>·</mo><msup><mrow><mi>s</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>) was the highest, whereas it showed an obvious proliferation over Ru/γ-Al<sub>2</sub>O<sub>3</sub> and Ru/SiO<sub>2</sub> (from 33.0 and 46.3 to 59.9 and 51.8 <span><math><mrow><mi>μ</mi><mi>m</mi><mi>o</mi><msub><mi>l</mi><msub><mrow><mi>CO</mi></mrow><mn>2</mn></msub></msub><mo>·</mo><msubsup><mi>g</mi><mrow><mi>cat</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msubsup><mo>·</mo><msup><mrow><mi>s</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>, respectively). The above three catalysts exhibited high CH<sub>4</sub> selectivity (&gt;96 %). However, Ru/TiO<sub>2</sub> showed the lowest reaction rate (14.0 <span><math><mrow><mi>μ</mi><mi>m</mi><mi>o</mi><msub><mi>l</mi><msub><mrow><mi>CO</mi></mrow><mn>2</mn></msub></msub><mo>·</mo><msubsup><mi>g</mi><mrow><mi>cat</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msubsup><mo>·</mo><msup><mrow><mi>s</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>) with 100 % CO selectivity. The comprehensive characterization demonstrated that the relatively strong metal-support interaction (MSI) led to the difficult-to-reduce Ru<em><sup>χ</sup></em><sup>+</sup> (<em>χ</em> = 3 or 4) species, which were responsible for the occurrence of the induction period. TiO<sub>x</sub> overlayer on Ru/TiO<sub>2</sub> due to the overly strong MSI resulted in the absence of Ru<sup>0</sup> and weak CO bonding, accompanied by the inferior performance and no CH<sub>4</sub> product. The basic sites and oxygen-containing groups on the support were involved in the formation of the intermediates. Furthermore, we discussed the reaction mechanisms over Ru catalysts through <em>in situ</em> DRIFTS technique. This work clearly illustrated the correlation between the induction period and MSI modulated via support engineering, which could provide some meaningful references for the rational design of the highly efficient CO<sub>2</sub> hydrogenation catalysts.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135413"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838261","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
Experimental and simulation study on Compound optimization of water-based mucilage for inhibiting gas desorption from coal
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135355
Wenbin Jin , Yanpeng Xu , Duanwei Liu , Zhi Li , Tongrui Li , Xin Wang , Tianxiang Chen
{"title":"Experimental and simulation study on Compound optimization of water-based mucilage for inhibiting gas desorption from coal","authors":"Wenbin Jin ,&nbsp;Yanpeng Xu ,&nbsp;Duanwei Liu ,&nbsp;Zhi Li ,&nbsp;Tongrui Li ,&nbsp;Xin Wang ,&nbsp;Tianxiang Chen","doi":"10.1016/j.fuel.2025.135355","DOIUrl":"10.1016/j.fuel.2025.135355","url":null,"abstract":"<div><div>Abnormal gas outbursts induced by high-intensity mining operations in coal mines constitute a key factor in triggering underground gas limit exceedance accidents. This study focuses on inhibiting gas desorption from coal by employing a composite thickening agent (PAM + XTG) and a wetting agent (CDEA). Combined with viscosity tests, surface tension and contact angle measurements, as well as gas desorption experiments, we developed a novel, highly efficient water-based Mucilage for gas sealing and suppression in mines. Experimental results indicate that the thickening formulation containing 0.2 % XTG and 0.6 % PAM exhibits the best synergistic thickening performance, while also demonstrating the most significant inhibition of gas desorption. On this basis, the addition of 0.5 % CDEA as a wetting agent not only significantly enhances the coal’s wettability, achieving optimal performance, but also synergizes with the thickening agent to further strengthen the inhibition of gas desorption from the coal. Through molecular dynamics simulations, the superiority of the water-based mucilage formulation was further validated from perspectives such as the relative concentration of water molecules, radial distribution function, and diffusion coefficient, demonstrating its optimal wettability performance. Consequently, the water-based mucilage can rapidly wet the coal body, significantly reducing both the desorption amount and rate of gas within the coal, providing important theoretical support and practical guidance for the prevention and control of gas disasters in coal mines.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135355"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848161","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
Green synthesis of highly efficient and stable Ni@CQD nanoparticles: Experimental and theoretical approach for hydrogen production from dimethyl aminborane and sodium borohydride hydrolysis
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135412
Mehmet Sait Izgi , Ömer Şahin , Sultan Faal , Fatih Ahmet Celik , Erhan Onat , Ezman Karabulut
{"title":"Green synthesis of highly efficient and stable Ni@CQD nanoparticles: Experimental and theoretical approach for hydrogen production from dimethyl aminborane and sodium borohydride hydrolysis","authors":"Mehmet Sait Izgi ,&nbsp;Ömer Şahin ,&nbsp;Sultan Faal ,&nbsp;Fatih Ahmet Celik ,&nbsp;Erhan Onat ,&nbsp;Ezman Karabulut","doi":"10.1016/j.fuel.2025.135412","DOIUrl":"10.1016/j.fuel.2025.135412","url":null,"abstract":"<div><div>In this study, four different catalysts (Ni(0), Ni@Urea, Ni@DOT, Ni@MOF-DOT) were synthesized. The first two of these were synthesized by the impregnation method, while the last two were obtained using the hydrothermal method. Hydrogen (H<sub>2</sub>) efficiency of catalyses were investigated by hydrolysing sodium borohydride (SBH) and dimethylamine borane (DMAB) hydrogen sources. The HGR values ​​obtained for SBH and DMAB hydrolysis of the best catalysis Ni@MOF-DOT were determined to be 1423 and 642 (mL/min.g.cat), and the TOF values ​​were determined to be 191/hour and 78.6/hour, respectively. Transmission Electron Microscopy (TEM), Energy-dispersive X-ray spectroscopy (EDS), nitrogen adsorption/desorption, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Inductively coupled plasma optical emission spectroscopy (ICP-OES) and X-ray photoelectron spectroscopy (XPS) analyses were used for the characterization study of Ni@CQDs nano-catalyst. In kinetic analyses driven by Arrhenius and Eyring-Polanyi equations, the catalyst in the hydrolysing of DMAB has lower activation parameters while the catalysts have showed stability over six reusability cycles in both hydrogen sources. Also, the average particle size of the (Ni@DOT-MOF) nano catalyst is about 4.6 nm and the presence of Carbon (C), oxygen (O), nitrogen (N) and Ni (Ni) atoms in its structure is confirmed by XPS and ICP analyses. The high density of 2P<sub>1/2</sub> and 2P<sub>3/2</sub> spin states of Ni atoms in the Ni@MOF-DOT catalyst creates Lewis acid regions that increase the catalytic activity. The experimental results were supported by Molecular Dynamics (MD) findings based on extended tight-binding density functional theory (GFN1-xTB).</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135412"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838262","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
Enhanced electrocatalytic hydrogen evolution over a two-dimensional Ti3C2 MXene/FDU-12 templated-nanoporous NiO-decorated carbon paste electrode
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135305
Grandprix T.M. Kadja , Aninda F. Nuraini , Ria S. Rahayu , Agam Pamungkas , Ferry Iskandar , Munawar Khalil , Triati D.K. Wungu , Qingjun Yu , Xiaolong Tang , Honghong Yi , Muhammad H. Mahyuddin , Dewi Agustiningsih
{"title":"Enhanced electrocatalytic hydrogen evolution over a two-dimensional Ti3C2 MXene/FDU-12 templated-nanoporous NiO-decorated carbon paste electrode","authors":"Grandprix T.M. Kadja ,&nbsp;Aninda F. Nuraini ,&nbsp;Ria S. Rahayu ,&nbsp;Agam Pamungkas ,&nbsp;Ferry Iskandar ,&nbsp;Munawar Khalil ,&nbsp;Triati D.K. Wungu ,&nbsp;Qingjun Yu ,&nbsp;Xiaolong Tang ,&nbsp;Honghong Yi ,&nbsp;Muhammad H. Mahyuddin ,&nbsp;Dewi Agustiningsih","doi":"10.1016/j.fuel.2025.135305","DOIUrl":"10.1016/j.fuel.2025.135305","url":null,"abstract":"<div><div>Noble metal-free electrocatalysts have become a crucial component for efficient hyrogen production through the electrochemical hydrogen evolution reaction (HER). Notably, MXene, a unique two-dimensional (2D) transition metal carbide/nitride material,<!--> <!-->has shown several advantageous properties such as, excellent conductivity, stability, and high surface area, which are promising as electrocatalyst for HER, especially in the alkaline electrolytes. Herein, we design an Ti<sub>3</sub>C<sub>2</sub> MXene electrocatalyst decorated by the nanoporous nickel(II) oxide (NiO) on the carbon-paste electrode (CPE), coded as CPE-MXene/<em>n</em>-NiO. The electrochemical HER evaluation demonstrates that CPE-MXene/<em>n</em>-NiO has the best performance with an overpotential of 233 mV at a current density of 10 mA cm<sup>−2</sup>. Other electrodes, bare CPE, CPE-MXene, and CPE-<em>n</em>-NiO shows lower overpotentials of 630 mV, 415 mV, and 396 mV, respectively, at the same current density. Moreover, CPE-MXene/<em>n</em>-NiO also displays the lowest Tafel slope (24 mV dec<sup>−1</sup>) with a stable performance after 1000 cycles. The unique combination of MXene’s layered structures with nanoporosity of <em>n</em>-NiO provides seamless difussion, whereas the highly electroconductive properties of MXene are beneficial for fast charge transfer. In addition, the density functional theory (DFT)-based calculations indicate that the balance between H* adsorption and desorption is most optimized at the interface of MXene and NiO, which substantially enhances the hydrogen evolution reaction.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135305"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143848163","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
Construction of anti-oxidative and efficient Ni2Si/SiC/C-based microwave absorption composite by recycling coal hydrogasification residue
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135432
Xiaojie Xue , Liping Liang , Xueqin Liu , Kun Jia , Kewei Zhang , Guomin Li
{"title":"Construction of anti-oxidative and efficient Ni2Si/SiC/C-based microwave absorption composite by recycling coal hydrogasification residue","authors":"Xiaojie Xue ,&nbsp;Liping Liang ,&nbsp;Xueqin Liu ,&nbsp;Kun Jia ,&nbsp;Kewei Zhang ,&nbsp;Guomin Li","doi":"10.1016/j.fuel.2025.135432","DOIUrl":"10.1016/j.fuel.2025.135432","url":null,"abstract":"<div><div>With the growing demand for advanced microwave absorption (MA) materials in harsh application environments, there is an urgent need to develop efficient absorbent with exceptional high-temperature oxidation resistance. Herein, we successfully fabricated novel Ni<sub>2</sub>Si/SiC/C composites with remarkable thermal stability through a combined sol–gel embedding method and high-temperature solid-phase reaction strategy, using coal hydrogasification residue as the carbon matrix. The as-prepared Ni<sub>2</sub>Si/SiC/C composite features a unique microstructure comprising a porous carbon skeleton decorated with SiC nanoparticles and spherical Ni<sub>2</sub>Si coatings. By precisely tuning the stoichiometric ratios of silicon, carbon, and nickel precursors in the fabrication process, the optimized samples demonstrated outstanding MA performance at room temperature. Notably, 15Ni-SiC/C-5.0 achieved a minimum reflection loss (<em>RL</em><sub>min</sub>) of −31.18 dB with a maximum effective absorption bandwidth (EAB<sub>max</sub>) of 4.0 GHz at a thin matching thickness of only 1.5 mm. Meanwhile, 20Ni-SiC/C-5.0 exhibited an even deeper <em>RL</em><sub>min</sub> of −37.30 dB at 5.5 mm, with an impressive broadband EAB covering 14.64 GHz across the entire tested thickness range (1.0–5.5 mm). Remarkably, after undergoing calcination at 600 °C in air for 2 h, the two samples maintained excellent MA performance, with <em>RL</em><sub>min</sub> values of −42.53 dB and −30.72 dB at 4.0 mm, respectively, demonstrating their superior high-temperature thermal stability. Further investigation revealed that the outstanding MA performance stem from an optimal combination of impedance matching, conductive loss, and polarization loss mechanisms, all of which are closely related to the composite’s microstructure. This work not only presents a high-performance, oxidation-resistant carbon-based microwave absorbent but also provides valuable insights for the future development of advanced anti-oxidative microwave absorbents.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135432"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838264","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
New method for the preparation of cerium zirconium oxide for automobile exhaust gas catalysis
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135335
Xian-Ming Liu
{"title":"New method for the preparation of cerium zirconium oxide for automobile exhaust gas catalysis","authors":"Xian-Ming Liu","doi":"10.1016/j.fuel.2025.135335","DOIUrl":"10.1016/j.fuel.2025.135335","url":null,"abstract":"<div><div>This paper describes a new method for the preparation of zirconia-ceria composites as a catalyst coating for the conversion of CO, HC, and NO<sub>x</sub> pollutants from automobile exhaust gases into CO<sub>2</sub>, H<sub>2</sub>O, and N<sub>2</sub>. First, zirconia-ceria ceramics with a tetragonal lattice were prepared by doping zirconium oxide with rare earth cerium oxide in a certain ratio. This material was then employed in a plasma spraying process for secondary granulation. A Eulerian two-fluid model of the coating was established to simulate the heat and mass transfer process of the zirconium-cerium oxide in the flow field. The fluid state was judged by the Reynolds number, and the liquid film thickness and turning point of the coated particles under laminar or turbulent flow were calculated. The homogeneity of the zirconium-cerium oxide coating on the surface of the automobile exhaust purifier used to treat automobile exhaust gas was experimentally obtained. Thus, the chemical reaction occurs at the time of the automobile exhaust emission, and automobile exhaust gas with low or no pollutant levels is achieved. The experimental results show that, compared with other mixtures, the zirconium-cerium oxide has the strongest ability to store and release oxygen in the automobile exhaust gas catalytic reaction. The addition of a precious metal catalyst leads to secondary combustion, and the addition of praseodymium effectively improves the conversion rate of harmful gases, with an average conversion rate of more than 90%. This work offers a new strategy for the management of pollution in urban environments.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135335"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838257","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
Water-soluble polymers inhibit methane hydrate formation: A molecular dynamics simulation study
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135404
Na Wei , Haoran Zheng , Boyun Guo , Hanming Xu , Jiping Wang
{"title":"Water-soluble polymers inhibit methane hydrate formation: A molecular dynamics simulation study","authors":"Na Wei ,&nbsp;Haoran Zheng ,&nbsp;Boyun Guo ,&nbsp;Hanming Xu ,&nbsp;Jiping Wang","doi":"10.1016/j.fuel.2025.135404","DOIUrl":"10.1016/j.fuel.2025.135404","url":null,"abstract":"<div><div>The formation and stability of methane hydrates have significant implications for energy development and carbon capture and storage (CCS) technologies. This study employs molecular dynamics simulations to investigate the influence of commonly used reservoir modification polymers (PAM, HPAM, and PAA) on methane hydrate formation. The results indicate that the inhibition mechanisms of these polymers primarily manifest in three aspects: their ability to occupy active sites on the hydrate surface, adsorb methane molecules in the solution, and form hydrogen bonds with water molecules. Furthermore, the effectiveness of these mechanisms largely depends on the number of carboxyl groups on the polymer chains. Specifically, HPAM exhibits optimal inhibition performance due to its moderate methane adsorption capacity and rigid molecular structure, which minimize bubble formation, facilitate hydrogen bonding, and effectively occupy hydrate surface active sites. In contrast, PAA demonstrates inferior inhibition effects because its molecular chains tend to curl, reducing their ability to occupy active sites, while excessive methane adsorption weakens hydrogen bond formation with water molecules. PAM shows intermediate inhibition performance due to its weaker methane adsorption capacity and moderately rigid molecular chains. This study advances the understanding of the molecular mechanisms underlying polymer-mediated inhibition of methane hydrate growth.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135404"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838258","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
Dynamic phenomena controlling asphaltene aggregation and stabilization as observed by molecular simulations
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135302
Felipe Perez , Jianxin Wang , Joseph E. Patterson , Ramesh Kini , Anjushri S. Kurup , Alberto Striolo
{"title":"Dynamic phenomena controlling asphaltene aggregation and stabilization as observed by molecular simulations","authors":"Felipe Perez ,&nbsp;Jianxin Wang ,&nbsp;Joseph E. Patterson ,&nbsp;Ramesh Kini ,&nbsp;Anjushri S. Kurup ,&nbsp;Alberto Striolo","doi":"10.1016/j.fuel.2025.135302","DOIUrl":"10.1016/j.fuel.2025.135302","url":null,"abstract":"<div><div>Coarse-grained molecular dynamics simulations were used to investigate the effect of molecular features (concentration and location of heteroatoms in asphaltene molecules), thermodynamic conditions (solvent composition, pressure, and temperature), and polydispersity on asphaltene aggregation and aggregate stability. The base case consisted of asphaltenes in the mixture toluene–methane (90:10 wt %) at reservoir conditions (160–170 atm and 400 K). The asphaltene mass fraction was 5 %. The dynamic behavior of the systems was monitored by tracking the number of molecules that form aggregates and those that remain as monomers as a function of time. We identified pressure and temperature as the conditions that affect asphaltene aggregation the most. In addition, the results underscore the importance of simulating polydispersed (i.e., heterogeneous) asphaltene systems to elucidate the role that small asphaltenes/resins play in asphaltene aggregation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135302"},"PeriodicalIF":6.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143838263","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
Hydrogen production from water electrolysis coupled with ethanol oxidation by membrane electrolyzer combined flow-through and fed-batch operation
IF 6.7 1区 工程技术
Fuel Pub Date : 2025-04-17 DOI: 10.1016/j.fuel.2025.135380
Jiaojiao Chen, Yu Chen, Ke Bai, Jingyun Liu, Zewei Bao, Zeyi Xiao, Senqing Fan
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