Fuel最新文献

{"title":"One-step pyrolysis model integrating machine learning predictions for coal gasification simulations using multiphase particle-in-cell method","authors":"Qi Chen,&nbsp;Peixuan Xue,&nbsp;Chun Wang,&nbsp;Zhao Yang,&nbsp;Haiping Yang,&nbsp;Shihong Zhang","doi":"10.1016/j.fuel.2025.135214","DOIUrl":"10.1016/j.fuel.2025.135214","url":null,"abstract":"<div><div>In Computational Fluid Dynamics (CFD) simulations of fluidized bed coal gasification, accurately describing the coal pyrolysis behavior is crucial for the accuracy of the simulation results. This study developed a one-step pyrolysis model an integrating machine learning predictions (OSPM-ML) using the XGBoost algorithm, based on 151 pyrolysis experimental datasets from coals of various ranks. The OSPM-ML demonstrated strong generalization capability, achieving a mean test R² of 0.921 and RMSE of 3.026. OSPM-ML was applied in MP-PIC simulations of fluidized bed gasification and compared against one-step pyrolysis models integrating experimental results and empirical model (OSPM-PE and OSPM-EM). Results showed that OSPM-ML exhibited high consistency with OSPM-PE in predicting gas–solid flow, gas-phase composition distribution, and gas-phase thermophysical properties within the reactor. Additionally, OSPM-ML accurately captured the variation of outlet products with temperature. These findings demonstrate that OSPM-ML serves as a reliable and efficient alternative, providing a robust tool for simulating fluidized bed gasification processes. Furthermore, this study investigated the thermal-physical–chemical properties of particles within the fluidized bed, offering new perspectives and insights for advancing the understanding of fluidized bed coal gasification processes.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"398 ","pages":"Article 135214"},"PeriodicalIF":6.7,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883232","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":"Data-driven machine learning methods to predict the viscosity-temperature characteristics for gasification slags","authors":"Weiwei Xuan ,&nbsp;Chenyu Zhao ,&nbsp;Zhen Ma ,&nbsp;Zhen Liu ,&nbsp;Jiansheng Zhang","doi":"10.1016/j.fuel.2025.135287","DOIUrl":"10.1016/j.fuel.2025.135287","url":null,"abstract":"<div><div>The viscosity of molten silicate slags is crucial for the stable operation of the gasifier. However, there is currently no effective prediction method for the viscosity of non-Newtonian slags because the complex components lead to the diversification of crystals, making it difficult to accurately predict the viscosity of non-Newtonian slags based on crystallization or flow mechanisms. In this study, advanced artificial intelligence methods were used to predict the viscosity of coal slags through data-driven approaches. Four machine learning models were established—Random Forest (RF), Gradient Boosting Decision Tree (GBDT), Backpropagation (BP) Neural Network, and Support Vector Regression (SVR)—with a collection over 2,420 experimental data points as the dataset. Before constructing the models, an analysis of the chemical properties of gasification slags is conducted to identify the factors that significantly influence viscosity. Then the compositions Si, Al, Ca, Fe, Mg, Na, K, Si/Al as well as temperature are selected as the input parameters. After training and test, results show that viscosity predication based on classified dataset on fluid types performs better than that without classification. Among the four models, the BP Neural Network model shows the best with least error for both Newtonian and non-Newtonian slags. Besides, the Critical Viscosity Temperature (T_cv) is demonstrated with a good prediction by BP Neural Network model.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"398 ","pages":"Article 135287"},"PeriodicalIF":6.7,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883233","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":"Improving the catalytic performance of Ag/SiC for ethylene epoxidation via modifying SiC surface using CeO2","authors":"Xiang Li ,&nbsp;Jixiao Zhao ,&nbsp;Zhenni Wei ,&nbsp;Xiaofei Liu ,&nbsp;Xin Huang ,&nbsp;Guoqiang Zhang ,&nbsp;Yu Liu ,&nbsp;Zhifeng Jiao ,&nbsp;Xiangyun Guo","doi":"10.1016/j.fuel.2025.135496","DOIUrl":"10.1016/j.fuel.2025.135496","url":null,"abstract":"<div><div>Ethylene epoxidation over high-loading Ag/α-Al₂O₃ catalysts is an important industrial process to produce ethylene oxide. However, the low specific surface area and poor thermal conductivity of α-Al₂O₃ restrict further improvement of the catalyst’s performance in ethylene epoxidation. In this work, we employed CeO₂-modified SiC as the support of active component Ag for the ethylene epoxidation reaction. Under the condition of 230 °C, 2 MPa, gas hourly space velocity of 3540 h⁻¹, the catalyst achieved good performance without any additives. The conversion, ethylene oxide selectivity, and space–time yields were 5.4 %, 74.3 %, and 66 kg/(m³·h), respectively. The experimental and calculation results showed that oxygen molecules were activated on the Ag catalyst surface to form ¹O₂ and •O₂^– species. These species then migrated onto the SiC with the ethylene adsorbed on the SiC surface. The oxygen vacancies in CeO₂ promote the migration of these oxygen species, and thus enhance the reaction performance.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135496"},"PeriodicalIF":6.7,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877149","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":"Analyzing lump coal gas release as a source of coal mine methane: Using GC and machine learning","authors":"Hasan Ekin Doğan,&nbsp;Nuray Demirel","doi":"10.1016/j.fuel.2025.135433","DOIUrl":"10.1016/j.fuel.2025.135433","url":null,"abstract":"<div><div>Recent advancements in coalbed methane (CBM) applications have facilitated methane capture and utilization as an energy source from coal seams before exploitation. CBM applications reduce the amount of coal mine methane (CMM) released underground during mining operations. However, during coal exploitation, the fractured coal releases lump coal gas, which often contains a high methane concentration. This lump coal gas cannot be prevented with CBM practices and contributes to the formation of CMM along with seam and strata gases. In this study, the mechanism of lump coal gas components CH₄, CO₂, and CO were evaluated by analyzing the particle size, time, and location of the coal lump. In this sense, coal samples of varying sizes and from diverse locations were sealed in airtight canisters, and changes in gas concentrations over time were analyzed at regular intervals using gas chromatography (GC). The changes in the air gap in the canisters and coal samples lead to manipulations in the direct analysis of GC results. Therefore, initially, within the scope of feature engineering, an release index feature was developed, representing the ratio of the amount of each released gas to the weight of the sample, enabling an investigation among varying sample sizes. Using the developed index, time-dependent polynomial models for methane release were developed for various coal sizes. The results of these models were then analyzed using the <em>k</em>-means clustering algorithm to investigate the changes due to coal location. The analyses indicate that from the moment coal is first fractured, CO and CO₂ gases are consistently higher in larger coal particles. However, methane (CH₄) release per unit mass are initially higher from smaller particles, but over time, methane releases from larger particles become more significant than from smaller particles. On the other hand, initially, the change in methane release based on particle size is not very pronounced, and only clustering can be achieved with a 0.45 F1 score. However, over time, the size-dependent change becomes more significant, with smaller samples releasing less methane compared to larger samples, leading to an increase in the F1 score up to 0.94.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135433"},"PeriodicalIF":6.7,"publicationDate":"2025-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877148","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":"Regulation of oxidation state of LaMn0.8Al0.2O3+δ/LaMn0.7Co0.3O3+δ oxygen carriers for chemical looping steam methane reforming","authors":"Xianglei Yin ,&nbsp;Yongying Sang ,&nbsp;Shen Wang ,&nbsp;Laihong Shen","doi":"10.1016/j.fuel.2025.135479","DOIUrl":"10.1016/j.fuel.2025.135479","url":null,"abstract":"<div><div>Chemical looping steam methane reforming (CLSMR) is a novel route to produce high-quality syngas (H₂/CO = 2) and pure hydrogen without gas separation and purification. However, two side reactions of methane complete oxidation and carbon deposition in addition to partial oxidation of methane restrict the CLSMR performance. This work modifies the surface of LaMn_0.7Co_0.3O_3+δ nanoparticles with a small amount of LaMn_0.8Al_0.2O_3+δ. Redox tests and characterization analyses suggested that the addition of LaMn_0.8Al_0.2O_3+δ regulates the oxidation state of LaMn_0.7Co_0.3O_3+δ oxygen carrier, declining cations valence state and increasing oxygen vacancies. The lower-valence cations weaken methane complete oxidation in virtue of the decreased non-selective oxygen. More oxygen vacancies promote the migration and release of selective oxygen to inhibit carbon deposition, and methane partial oxidation is also enhanced. This study provides a meaningful guidance for an all-around performance boost of oxygen carriers for chemical looping conversion of carbonaceous fuels.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135479"},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877147","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":"MOF-derived nitrogen-coordinated iron single atoms: A promising ORR electrocatalyst for passive direct ethanol alkaline fuel cells","authors":"Hussein Gharibi ,&nbsp;Morteza Kazemi ,&nbsp;Mohammad Zhiani ,&nbsp;Maryam Jafari ,&nbsp;Mohammad Javad Parnian","doi":"10.1016/j.fuel.2025.135450","DOIUrl":"10.1016/j.fuel.2025.135450","url":null,"abstract":"<div><div>This study presents a novel electrocatalyst for the oxygen reduction reaction (ORR), featuring single-atom iron-doped nitrogen (Fe-N_x) embedded in a carbon-based framework. The electrocatalyst was derived from a bimetallic zeolitic imidazole framework (Zn/Fe-BZIF), leveraging the high surface area, tunable coordination environments, stability, and cost-effectiveness of metal–organic frameworks (MOFs). Iron incorporation significantly enhanced the onset potential, positioning the material as a promising candidate for high-performance ORR applications. To achieve atomic-level dispersion and prevent agglomeration, the double solvent method was utilized, encapsulating the iron salt precursor within the hydrophilic pores of ZIF-8. This method ensured precise integration and optimized electrocatalyst efficiency. Following pyrolysis, the Fe-s/NC catalyst exhibited outstanding ORR activity and stability in alkaline media, surpassing commercial Pt/C. The catalyst demonstrated high selectivity for the direct 4e⁻ reduction of oxygen to water, achieving an onset potential (E<em>_onset</em>) of 1.03 V<em>_RHE</em> and a half-wave potential (E<em>_1/2</em>) of 0.93 V<em>_RHE</em>. Over 40,000 s of chronoamperometric testing, it maintained 90% of its initial current density. Furthermore, the electrocatalyst showed promising performance in a direct ethanol alkaline fuel cell (DEAFC) and in sensor applications at low ethanol concentrations. In air, it achieved an open-circuit voltage (OCV) of 0.920 V with a peak power density (P<em>_max</em>) of 14.7 mW cm⁻² at 0.320 V, and in oxygen, it reached an OCV of 0.946 V with P<em>_max</em> of 19.3 mW cm² at 0.346 V. This research introduced Fe-s/NC as an innovative catalyst to enhance cathode's electrocatalytic performance in passive DEAFCs.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135450"},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877146","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":"Facile synthesis of shaped ZSM-5 with high-proportioned accessible acid sites toward superior coke resistance in methanol-to-hydrocarbon reaction","authors":"Lingzhen Bu,&nbsp;Yaquan Wang,&nbsp;Wenrong Liu,&nbsp;Kailiang Chu,&nbsp;Niandong Guo,&nbsp;Yitong Huang,&nbsp;Liping Qu,&nbsp;Xuemei Su,&nbsp;Xian Zhang,&nbsp;Yaoning Li","doi":"10.1016/j.fuel.2025.135367","DOIUrl":"10.1016/j.fuel.2025.135367","url":null,"abstract":"<div><div>The shaped hierarchical ZSM-5 zeolites with high-proportioned accessible acid sites were directly synthesized via a one-step synthesis strategy, aimed at improving catalytic stability. The pore structure, acid distribution and acid properties could be effectively tailored just by regulating aluminum sources. The ZSM-5 synthesized with aluminum nitrate and aluminum isopropoxide possessed less accessible acid sites (despite their large acid amount), stronger acid strength and less mesopores. Regarding the ZSM-5 prepared with aluminum hydroxide, suitable acid strength, remarkably increased intracrystalline mesopores coupled with a marked increase in accessible acid sites endowed it a dramatically improved acid site efficiency (at least 3 times that of other catalysts), satisfactory yields of liquid hydrocarbons (86.84 g·g_cat^-1) and C_2-3 olefins (85.95 g·g_cat^-1), and optimal coke resistance (at least 3-fold lifetime of other catalysts) in methanol to hydrocarbon reaction. This work offers a facile strategy for tuning pore structure, acid distribution and acid properties of zeolites and paves a feasible route for the large-scale application.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135367"},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143873507","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":"Pyrolysis of coal and biomass in a fixed bed with internals to produce volatiles with respectively enriched light and heavy fractions","authors":"Zhishuai Lu ,&nbsp;Hong Zhang ,&nbsp;Yuhui Zhang ,&nbsp;Lu Ding ,&nbsp;Xuejing Liu ,&nbsp;Chao Wang ,&nbsp;Zhennan Han ,&nbsp;Xin Jia ,&nbsp;Guangwen Xu","doi":"10.1016/j.fuel.2025.135365","DOIUrl":"10.1016/j.fuel.2025.135365","url":null,"abstract":"<div><div>Achieving respective enrichment of light and heavy fractions in fuel pyrolysis poses a significant challenge. In this study, we devised the regulation of pyrolysis reactions in a fixed bed with internals (internals-regulated pyrolysis) to allow progressive pyrolysis using Shenmu coal, Naomaohu coal, walnut shell biomass, and corn stalk biomass as feedstocks, thus achieving the respective collection of volatiles at different stages of pyrolysis. During the initial stage of pyrolysis, it produced pyrolysis oil rich in light species, although without using any catalyst. The fraction with boiling points below 350 °C was over 82 wt%, being actually higher than the usual values obtained in catalytic upgrading. In the late stage of pyrolysis, the produced oil contained more heavy species. It was found that the furans and phenols with relatively low and high boiling points were enriched in the initial and late stages of biomass pyrolysis, respectively. The efficient enrichment is achieved under the conditions of different feedstock types, heating temperatures and bed thicknesses, demonstrating the universality of enrichment approach. The light oil yield based on the Gray-King method is 59 wt% for catalytic cracking of oil rich in heavy fraction and 54 wt% for catalytic cracking of all oil components, highlighting the essential requirement for selective cracking of heavy species using the newly developed approach.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135365"},"PeriodicalIF":6.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143876547","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":"Bimetallic metal-organic frameworks as versatile electrocatalysts for water splitting in neutral and alkaline environments","authors":"Syed Arfan Haider ,&nbsp;Tehseen Mushtaq ,&nbsp;Bakhtawar Sajjad ,&nbsp;Munazza Shahid ,&nbsp;Muhammad Altaf ,&nbsp;Ayman Nafady ,&nbsp;Ghayoor Abbas Chotana ,&nbsp;Manzar Sohail ,&nbsp;Shahid Rasul ,&nbsp;Raja Shahid Ashraf","doi":"10.1016/j.fuel.2025.135488","DOIUrl":"10.1016/j.fuel.2025.135488","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) have gained attention as potential candidates for water-splitting catalysis due to their ability to offer appropriate surface-active sites that facilitate the reaction. Traditionally, precious metals served as electrocatalysts. This study presents a less explored method of preparing hexagonal Bimetallic MOFs (NiCo-MOF/NF) for HER (Hydrogen Evolution Reaction) and OER (Oxygen Evolution Reaction) using a simple and environmentally friendly one-step solvothermal approach. Due to its distinctive porous structure and nano-sized crystalline framework., along with its extensive electrochemical surface area, the advanced electrocatalyst (referred to as NiCo-MOF/NF) exhibited outstanding electrochemical performance characterized by an impressively low Overpotential (60 mV/150 mV at 10 mA cm⁻² for HER/OER) and a very high current density (460 mAcm⁻² / 471 mAcm⁻² for HER/OER) within a narrow potential range. The Tafel slope of the NiCo-MOF/NF electrocatalyst was measured at 28 mV dec⁻¹ for the HER and 45 mV dec⁻¹ for the OER, indicating rapid kinetics at the surface of the catalyst. Furthermore, it displayed excellent stability during a 100-hour stability test of chronopotentiometry. This study reports a stable bimetallic NiCo-MOF/NF electrocatalyst in alkaline and neutral media.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135488"},"PeriodicalIF":6.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143873503","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":"Enhancing proton exchange membrane fuel cell efficiency: Optimal tilt angles and airflow dynamics in wedge-shaped flow channels","authors":"Mohamed-Amine Babay ,&nbsp;Mustapha Adar ,&nbsp;Ahmed Chebak ,&nbsp;Mustapha Mabrouki","doi":"10.1016/j.fuel.2025.135447","DOIUrl":"10.1016/j.fuel.2025.135447","url":null,"abstract":"<div><div>This study developed a 3D CFD model to investigate the impact of wedge-shaped flow field plates on PEMFC performance. The results demonstrate that channel inclination significantly influences oxygen distribution, water removal, and thermal management. Among the tested configurations, tilt angles between 12° and 14° provided the best performance, optimizing reactant supply, reducing water accumulation, and enhancing power output.</div><div>At 14°, the fuel cell achieved a 22.5% improvement in current density compared to conventional parallel flow designs, demonstrating enhanced mass transfer and effective water drainage. Additionally, this configuration minimized temperature gradients, ensuring stable operation. While steeper angles (16°) introduced pressure losses and reactant starvation, moderate inclinations balanced flow distribution and manufacturability, making them ideal for practical applications.</div><div>These findings highlight the importance of optimizing flow field geometry to enhance PEMFC efficiency. Future work should explore experimental validation, dynamic operating conditions, and advanced flow field modifications to further improve performance and scalability.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"397 ","pages":"Article 135447"},"PeriodicalIF":6.7,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869419","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}