{"title":"Explainable artificial intelligence models for estimating the heat capacity of deep eutectic solvents","authors":"Saad Alatefi , Okorie Ekwe Agwu , Menad Nait Amar , Hakim Djema","doi":"10.1016/j.fuel.2025.135073","DOIUrl":"10.1016/j.fuel.2025.135073","url":null,"abstract":"<div><div>Deep eutectic solvents (DES) are emerging as a promising alternative to traditional solvents due to their attractive characteristics, including low toxicity, biodegradability, ease of synthesis, and cost-effectiveness. Accurate knowledge of the physical properties of DES, such as heat capacity, is critical for their effective utilization in various applications. To complement expensive and time-consuming experimental measurements, this study presents a comprehensive investigation into the application of advanced machine learning techniques, including Convolutional Neural Networks (CNN), Extreme Learning Machine (ELM), and Long Short-Term Memory (LSTM), for modelling the heat capacity of DES. The developed models were trained and validated using an extensive experimentally measured database comprising 2,696 datasets from 55 DES systems, covering a wide range of compositions and temperatures. The CNN model demonstrated superior performance compared to existing heat capacity correlations, achieving an Average Absolute Percentage Error (AAPE) of 0.982%, an R<sup>2</sup> of 0.997, and a significantly reduced Root Mean Squared Error. The leverage approach was employed to ensure data reliability and confirm the robustness of the proposed paradigms. Moreover, the study utilized the Shapley Additive Explanations (SHAP) method to enhance the CNN model interpretability and validate the influence of input parameters. Physical validation through detailed trend analysis further confirmed the model’s ability to preserve underlying physical relationships. In addition to its predictive accuracy, the proposed CNN model is designed for practical industrial applications. This work demonstrates how the model can be implemented to optimize DES selection and formulation in real-world scenarios, as illustrated by a case study presented in the paper. Overall, this study provides an efficient and reliable tool for the design and optimization of DES, enabling the rapid evaluation of suitable components and compositions while significantly reducing experimental effort.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135073"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642182","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135060
Gideon Dordzie, Matthew Balhoff
{"title":"A review of chemical methods and testing techniques for enhanced oil recovery in shale reservoirs","authors":"Gideon Dordzie, Matthew Balhoff","doi":"10.1016/j.fuel.2025.135060","DOIUrl":"10.1016/j.fuel.2025.135060","url":null,"abstract":"<div><div>In recent years, shale reservoirs have become increasingly important sources of oil and gas. As traditional methods of oil extraction reach their limits, there is a growing interest in exploring alternative techniques to enhance oil recovery from unconventional reservoirs, including shales. Various literature reviews have focused on enhanced oil recovery (EOR) in unconventional reservoirs. However, a comprehensive perspective specifically for shales that concentrates on chemical techniques remains scarce. This study evaluated several chemical strategies that demonstrate the potential of EOR from shales. Through a comprehensive review of these techniques, their feasibility and effectiveness were assessed.</div><div>Furthermore, this work presents an overview of recent research aimed at enhancing oil recovery in shales using chemical methods. Additionally, it provides a comprehensive summary of current state-of-the-art techniques and their potential practical applications in the field. We identified areas that warrant further exploration, and demonstrated relevant field trials and pilot tests that are presently executed. Among other discussions, we show that the use of a hybrid method of chemical and gas combinations is effective for huff-n-puffs in shales. In addition, anionic surfactant formulations increase oil recovery in siliceous shales, whereas oil recovery increases for calcite-dominant shales using cationic surfactant formulations from different studies. Some studies have shown that the addition of nonionic surfactants to cationic and anionic surfactant solutions further increases oil recovery. Finally, we highlight that application of chemical techniques in shales has the potential to significantly increase oil recovery, provided that processes and procedures are continually refined through innovative research and development.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135060"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645116","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135098
Rui Zhang , Lianghong Zhou , Ting Li , Yingjie Niu , Haonan Liu , Ruqi Xiao , Chao’en Li , Francesco Barzagli
{"title":"A green approach to CO2 capture using fly ash-based catalysts: Performance and mechanistic insights","authors":"Rui Zhang , Lianghong Zhou , Ting Li , Yingjie Niu , Haonan Liu , Ruqi Xiao , Chao’en Li , Francesco Barzagli","doi":"10.1016/j.fuel.2025.135098","DOIUrl":"10.1016/j.fuel.2025.135098","url":null,"abstract":"<div><div>Fly ash (FA), an abundant industrial by-product, has emerged as a promising catalyst for regenerating liquid sorbents used in CO<sub>2</sub> capture, significantly reducing the overall energy consumption of the process. Considering that the primary metal oxides in FA − Fe<sub>2</sub>O<sub>3</sub> and Al<sub>2</sub>O<sub>3</sub> − provide Brønsted and Lewis acid sites critical for enhancing CO<sub>2</sub> release, this study explores the development of modified catalysts by loading additional amounts of these metal oxides onto FA (resulting in Fe<sub>2</sub>O<sub>3</sub>-FA and Al<sub>2</sub>O<sub>3</sub>-FA), aiming to further improve FA-catalyzed CO<sub>2</sub> desorption. The performance of these catalysts was examined in desorption of a CO<sub>2</sub>-loaded MEA solution, focusing on key metrics such as CO<sub>2</sub> desorption rate, cyclic capacity and heat duty. Our findings indicate that modifying FA with metal oxides increases its surface acidity (both Brønsted and Lewis) and optimizes acid/alkali strength. Among the catalysts tested, Al<sub>2</sub>O<sub>3</sub>-FA exhibited superior performance, achieving a higher CO<sub>2</sub> desorption rate, greater cyclic capacity, and lower heat duty compared to Fe<sub>2</sub>O<sub>3</sub>-FA, unmodified Al<sub>2</sub>O<sub>3</sub> and FA, and the uncatalyzed system. Additionally, the stability of Al<sub>2</sub>O<sub>3</sub>-FA was confirmed over 20 continuous repetitions of CO<sub>2</sub> capture and desorption, finding no significant alteration in catalytic activity or material structure (as confirmed by FT-IR and XRD characterization) after prolonged use. The machine learning also was used to correlate the catalysts features and performance while the importance of each feature was identified. Finally, a potential catalytic reaction mechanism is proposed, involving the deprotonation of MEAH<sup>+</sup> and decomposition of MEACOO<sup>−</sup>, both of which synergistically enhance CO<sub>2</sub> desorption during sorbent regeneration process.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135098"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FuelPub Date : 2025-03-18DOI: 10.1016/j.fuel.2025.135070
Kangli Chen , Zhichao Yu , Yuan Li , Wenfeng Wang , Lu Zhang , Shumin Han
{"title":"Hierarchical Al-CoP/Ni2P heterostructure for alkaline hydrogen evolution reaction","authors":"Kangli Chen , Zhichao Yu , Yuan Li , Wenfeng Wang , Lu Zhang , Shumin Han","doi":"10.1016/j.fuel.2025.135070","DOIUrl":"10.1016/j.fuel.2025.135070","url":null,"abstract":"<div><div>Developing low-cost and high-performance catalysts instead of Pt-based noble metal materials for alkaline HER is essential for sustainable clean technologies. However, the high energy barriers of H<sub>2</sub>O dissociation and intermediate *H lead to the low efficiency and the difficultly of the alkaline HER. Herein, the hierarchical Al-CoP/Ni<sub>2</sub>P on Ni foam (Al-CoP/Ni<sub>2</sub>P@NF) was successfully prepared using interface and doping engineering strategies. The heterostructure, Al doping, and hierarchical morphology significantly improve the electronic configuration and the active surface area of the compound. Notably, the Al-doping compound exhibits excellent HER performance in 1.0 M KOH, achieving a current density of 10 and 20 mA cm<sup>−2</sup> at 55 and 72 mV overpotential, respectively, with a Tafel slope of 55.6 mV dec<sup>−1</sup>. As an overpotential of 72 mV is performed, the current density 20 mA cm<sup>−2</sup> keeps unchanged for even 24 h in alkaline water electrolysis. DFT calculations further reveal that Al-induced partial electron redistribution of CoP/Ni<sub>2</sub>P, thereby optimizing Δ<em>G</em><sub>H*</sub> and reducing the energy barriers of H<sub>2</sub>O dissociation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135070"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642179","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135096
Yang Li, Hong-Yu Lv, Si-Wei Song, Qi-Long Yan, Qing-Hua Zhang
{"title":"Recent advances on electrically controlled solid propellants","authors":"Yang Li, Hong-Yu Lv, Si-Wei Song, Qi-Long Yan, Qing-Hua Zhang","doi":"10.1016/j.fuel.2025.135096","DOIUrl":"10.1016/j.fuel.2025.135096","url":null,"abstract":"<div><div>The utilization of electrically controlled solid propellants (ECSPs) in rocket propulsion offers a viable solution to address the limitations posed by the thrust adjustment and restart capabilities in traditional solid rockets. The ECSP technology enables control of the rocket motor start-stop and propellant burning rate by regulating the power supply, resulting in enhanced flexibility and responsiveness in propulsion systems. Despite advancements in the formulation and charge design, combustion performance, and motor optimization for ECSPs, their high ignition voltage and narrow regulation range of thrust remain significant challenges for electrically controlled solid rockets. Designing an efficient formulation to tune the propellant’s burning rate, energy density, and mechanical properties for specific requirements across various propulsion systems is a complex task. This challenge is particularly critical as the design must balance energy performance with the operational reliability of ECSPs. This review comprehensively summarizes the recent advances in this research field. The fundamental properties of ECSPs such as energy density, conductivity, combustion behavior, safety, mechanical properties, and processability are systematically compared and discussed. Additionally, the design and experimental results of electrically controlled solid rocket motors with various electrode configurations are summarized, addressing issues like ignition delays and limited thrust modulation. On this basis, the key challenges for future researches are underlined along with possible solutions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135096"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642262","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135120
Ke Yan , Yimin Zhang , Xinyu Xu , Yucai Qin , Yi Mei , Yun Zu
{"title":"Hydroxyl engineering of precipitated silica to construct hierarchically layered ZSM-5 zeolites for efficient methanol-to-propylene","authors":"Ke Yan , Yimin Zhang , Xinyu Xu , Yucai Qin , Yi Mei , Yun Zu","doi":"10.1016/j.fuel.2025.135120","DOIUrl":"10.1016/j.fuel.2025.135120","url":null,"abstract":"<div><div>Non-classical crystallization pathways have emerged as a pivotal strategy for the synthesis of zeolites with tailored structures, with the initial feed composition being one of the most critical factors influencing this process. As primary raw material for the formation of zeolite networks, the physicochemical properties of Si sources significantly affected structural and acid properties of zeolites <em>via</em> non-classical crystallization pathways. While, the present operating mechanism between each other was still confusing. In this work, the precipitated silica with tunable Si-hydroxyls was home-made using one-step synthesis of fluorosilicic acid and ammonia aqueous in a SK static reactor. Leveraging this tailored silica, a series of hierarchically layered L-ZSM-5 zeolites were successfully prepared by a non-classical crystallization pathway regulated by Si-hydroxyl engineering. The findings revealed a linear positive correlation between the percentage of layered structures and framework single Al distribution of L-ZSM-5 zeolites and the number of silanol nests present in the precipitated silica. Under comparable conditions, the as-prepared hierarchical L-ZSM-5(7/6) zeolite with more layered structures and framework Al located in the straight/sinusoidal channels exhibited excellent propylene selectivity (44.09 %) and reaction lifetime (25 h, WHSV = 6 h<sup>−1</sup>) in methanol-to-propylene reaction. This work elucidates a decisive relationship between Si-hydroxyls engineering and zeolite crystallization, offering novel insights into the synthesis of zeolites with specific structural features through non-classical crystallization pathways.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135120"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642353","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135115
Jiang Yuan , Tian Jin , Huailei Cheng , Mingchen Li , Zhenyang Wang , Lijun Sun
{"title":"Performance evolution and technique optimization of crumb rubber modified bitumen under thermal effect throughout the production and construction process","authors":"Jiang Yuan , Tian Jin , Huailei Cheng , Mingchen Li , Zhenyang Wang , Lijun Sun","doi":"10.1016/j.fuel.2025.135115","DOIUrl":"10.1016/j.fuel.2025.135115","url":null,"abstract":"<div><div>Crumb rubber modified bitumen (CRMB) offers an eco-friendly solution for recycling end-of-life tires (ELTs). Crumb rubber in hot bitumen will maintain swelling over an extended period under the thermal effect, forming a strengthened gel-like structure which is the critical factor behind the superior service performance of CRMB. Current research mainly focuses on the CRMB performance prepared with various technique parameters in the production stage, overlooking that the binders will be subjected to the thermal effect of short-term aging during the subsequent construction process. This ongoing thermal effect can continuously affect the bitumen-rubber interaction, thereby altering the performance. This study comprehensively investigated the performance evolution and technique optimization of CRMB under the thermal effect throughout the production and construction process. CRMB with varying rubber dosages and blending times, including unswelling binders, were prepared. Viscosity-temperature curves determined appropriate short-term aging temperatures. Molecular weight distribution, high-temperature performance, and anti-cracking properties were evaluated. The liquid phase was separated to quantify the swelling degree via particle effect (PE) analysis. Results show that high-temperature performance improves under prolonged thermal exposure, while anti-cracking performance strongly correlates with the swelling degree. A performance-balanced design optimized technique parameters, enabling controlled swelling for superior service performance of CRMB.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135115"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644994","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135000
Antonio Elia Pascarella , Antonio Coppola , Stefano Marrone , Roberto Chirone , Carlo Sansone , Piero Salatino
{"title":"Critical assessment of machine learning prediction of biomass pyrolysis","authors":"Antonio Elia Pascarella , Antonio Coppola , Stefano Marrone , Roberto Chirone , Carlo Sansone , Piero Salatino","doi":"10.1016/j.fuel.2025.135000","DOIUrl":"10.1016/j.fuel.2025.135000","url":null,"abstract":"<div><div>Biomass pyrolysis is a complex process, quite challenging to model physically and Modern AI methods could improve its prediction and characterization. However, AI model construction requires high-quality datasets. Existing datasets in literature, usually only a few hundred records, are inadequate for robust AI applications.</div><div>A first goal of the study was to make best use of the currently available body of experimental data on fixed bed non-catalytic biomass pyrolysis by comprehensively compiling available data from nearly 160 sources into a new dataset of 1137 records. Each record was carefully standardized to overcome inconsistencies in terminology and lack of uniformity among different sources. This extended dataset (including biomass properties, pyrolysis operating conditions, and bioliquid yield), integrating previous ones, is intended to promote community-based data sharing. The compiled dataset was characterized by remarkable data sparsity, due to lack of completeness of the original data.</div><div>A second goal was benchmarking different regression and data imputation models to assess the predictive ability of ML applied to the collected dataset. The most accurate estimates were obtained by leveraging a subset of about 500 instances without missing values, resulting in a Mean Absolute Error (MAE) of 2.28. Application of ML to the entire dataset with imputed missing data yielded a less accurate estimate (MAE = 3.45), a feature that underlines the criticality of missing data imputation, and of the sparsity of the dataset.</div><div>A third and mostly relevant goal was the critical assessment of Explainable Artificial Intelligence (XAI) techniques that come into play when ML is aimed at evaluating the importance and directional trends of selected features. XAI tools, namely Partial Dependence Plots (PDP) and SHAP, have been applied to the dataset to assess their trustworthiness to support mechanistic inference of the importance and directional trends of key biomass properties and process operational parameters on pyrolysis yields. The result of this analysis is far from satisfactory. Significant discrepancies across studies, inconsistencies among different methods and somewhat erratic trends in PDP plots reflect the challenge in achieving consistent mechanistic insights from purely data-driven approaches, suggesting the adoption of physics-informed machine learning embodying physico-chemical relationships to improved Explainable AI.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135000"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FuelPub Date : 2025-03-18DOI: 10.1016/j.fuel.2025.135091
Yasin Khani , Niloofar Kamyar , Farzad Bahadoran , See Hoon Lee , Jung Min Sohn , Chang Hyun Ko , Elim Kim , Hyung Chul Ham , Young-Kwon Park
{"title":"Syngas formation via chemical looping of methane process using Y1La0.6Gd0.4O3 as a novel oxygen carrier","authors":"Yasin Khani , Niloofar Kamyar , Farzad Bahadoran , See Hoon Lee , Jung Min Sohn , Chang Hyun Ko , Elim Kim , Hyung Chul Ham , Young-Kwon Park","doi":"10.1016/j.fuel.2025.135091","DOIUrl":"10.1016/j.fuel.2025.135091","url":null,"abstract":"<div><div>The performance of Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> perovskite at the test temperature range from 800 to 900 ˚C, as an oxygen carrier in the methane (CH<sub>4</sub>) chemical looping process has been investigated. Specifically, the O<sub>2</sub>-TPD test suggested that Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> served a pivotal role in oxygen donation, and such high oxygen donation could be beneficial for the redox reaction. The nano-scaled uniform porous (sponge-like) morphology of the fabricated catalyst offered a favorable chance to enhance its capability as an oxygen carrier. An increase in the selectivity and conversion of CH<sub>4</sub> (≥95 % with an optimal ratio of H<sub>2</sub>/CO) confirmed that the Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> as an oxygen carrier had a positive effect on the catalytic activity. The Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> catalyst improves oxygen storage and donation capacity due to increased oxygen vacancy defects and accelerates the removal of deposited coke. Notably, the oxygen storage capacity for the Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> oxygen carrier reached a maximum value of 3.85–4.2 (mmol O atoms g<sup>−1</sup> <sub>cat</sub>). Also, due to the improved oxygen storage and high oxygen mobility, the time required to fill the oxygen carrier network with oxygen is reduced. Furthermore, DFT calculations revealed that the synergistic effect of Y, La, and Gd significantly reduces the energy required to create oxygen vacancies, it indicates the enhanced oxygen mobility in the Y<sub>1</sub>La<sub>0.6</sub>Gd<sub>0.4</sub>O<sub>3</sub> oxygen carrier.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135091"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642180","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 : 2025-03-18DOI: 10.1016/j.fuel.2025.135093
Zhimei Shu , Tingting Xu , Jiayi Xiao , Weiqi Chen , Dong Liu
{"title":"Regulation crystal phase of Ca2Fe2O5 by synthesis method for efficient hydrogen production in photo-assisted chemical looping process","authors":"Zhimei Shu , Tingting Xu , Jiayi Xiao , Weiqi Chen , Dong Liu","doi":"10.1016/j.fuel.2025.135093","DOIUrl":"10.1016/j.fuel.2025.135093","url":null,"abstract":"<div><div>The influence of synthesis methodologies on the photothermal catalytic efficacy of brownmillerite Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub> in the photo-assisted chemical looping reforming with water splitting (CLRWS) was delineated in this study. Combined with the synthesis methods’ effects on the crystal structure, surface morphology, thermochemical and optical properties of samples, the probable reinforcement mechanism of introducing light into the CLRWS process was elucidated. It was demonstrated that the incorporation of light in CLRWS substantially boosted H<sub>2</sub> production, with a striking enhancement from 0.56 mmol·g<sub>OC</sub><sup>-1</sup> in thermal catalysis to 3.35 mmol·g<sub>OC</sub><sup>-1</sup> under light conditions for mechanochemically synthesized Ca<sub>2</sub>Fe<sub>2</sub>O<sub>5</sub>. Comparative analysis of sol–gel (SG-CFO), coprecipitation (CP-CFO), and mechanochemical (MC-CFO) methods revealed that phase purity and grain size were critical factors of lattice oxygen activity and the bandgap energy and electron-hole recombination rate in photothermal catalysis. SG-CFO exhibited superior phase purity, crystallinity and effective electron-hole pair separation, achieving an 84.2 % fuel conversion and a 6.8 mmol·g<sub>OC</sub><sup>-1</sup> hydrogen yield at 800 ℃ with light, eclipsing the 65.6 % and 5.05 mmol·g<sub>OC</sub><sup>-1</sup> yields recorded at 850 ℃ in the absence of light. Moreover, under light conditions, the H<sub>2</sub> production of MC-CFO was 5.98 times greater than that under dark conditions, primarily due to its small grain size and high charge separation efficiency. The CP-CFO demonstrated the narrowest band gap (1.86 eV) coupled with a wider spectral absorption range relatively, resulting in the most pronounced photothermal effect. This research underscored the imperative of judicious synthesis method selection in the quest for high-performance photothermal catalysts for sustainable H<sub>2</sub> generation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"394 ","pages":"Article 135093"},"PeriodicalIF":6.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143645105","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}