Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60610-4
Peng WANG , Yanling HAN , Yuanyuan LIU , Pengfei LU , Xiao LI
In this study, melamine and cyanuric acid were used as precursors to form supramolecular crystals via hydrogen-bond-assisted self-assembly followed by hydrothermal treatment. Subsequent high-temperature calcination yielded a novel brush-like three-dimensional carbon nitride. The brush-like 3D architecture was found to expose more accessible active sites, markedly accelerate electron transfer, and suppress the recombination of photogenerated charge carriers. The resulting superoxide (O–·2) and hydroxyl (·OH) radicals generated via electron reduction were identified as the key reactive species in the photocatalytic process. Moreover, the surface of the brush-like structure is enriched with nitrogen vacancies, which enhance the catalyst's ability to harvest visible light. The photocatalytic performance of the brush-like CNS-650 catalyst was evaluated for rhodamine B (RhB) degradation. Under red-light irradiation (660 nm), its degradation rate was 7.4 times higher than that of bulk CN. This work provides valuable insights into the design and application of efficient metal-free 3D photocatalysts.
{"title":"Metal-free brush-like 3D carbon nitride delivers efficient red-light-driven photocatalysis","authors":"Peng WANG , Yanling HAN , Yuanyuan LIU , Pengfei LU , Xiao LI","doi":"10.1016/S1872-5813(25)60610-4","DOIUrl":"10.1016/S1872-5813(25)60610-4","url":null,"abstract":"<div><div>In this study, melamine and cyanuric acid were used as precursors to form supramolecular crystals <em>via</em> hydrogen-bond-assisted self-assembly followed by hydrothermal treatment. Subsequent high-temperature calcination yielded a novel brush-like three-dimensional carbon nitride. The brush-like 3D architecture was found to expose more accessible active sites, markedly accelerate electron transfer, and suppress the recombination of photogenerated charge carriers. The resulting superoxide (O<sup>–·</sup><sub>2</sub>) and hydroxyl (<sup>·</sup>OH) radicals generated <em>via</em> electron reduction were identified as the key reactive species in the photocatalytic process. Moreover, the surface of the brush-like structure is enriched with nitrogen vacancies, which enhance the catalyst's ability to harvest visible light. The photocatalytic performance of the brush-like CNS-650 catalyst was evaluated for rhodamine B (RhB) degradation. Under red-light irradiation (660 nm), its degradation rate was 7.4 times higher than that of bulk CN. This work provides valuable insights into the design and application of efficient metal-free 3D photocatalysts.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (201KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250207"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(26)60646-9
Lin YANG , Yanfang YANG , Kuan LU
As a key component of shale oil, petroleum fractions, and chemical products, the oxidative pyrolysis behavior of paraffin directly influences energy conversion efficiency and the direction of process optimization. A deep understanding of its oxidative pyrolysis mechanism is crucial for addressing wax deposition in oil and gas extraction, enhancing product selectivity in cracking processes, and advancing novel clean fuel technologies. Traditional experimental methods face challenges in capturing transient free-radical reaction pathways at high temperatures, whereas molecular dynamics simulations offer a powerful approach to bridge the research gap in elucidating atomic-scale dynamic mechanisms. This database is constructed based on high-precision molecular dynamics simulations, comprising oxidative pyrolysis trajectory data for three paraffin models featuring different straight-chain hydrocarbon distributions within the temperature range of 2100–2500 K. The COMPASS force field was employed to optimize the initial structures, and the ReaxFF reactive force field was used to simulate the oxidative pyrolysis process. The database includes atomic trajectories, species evolution information, and reaction network analysis results for both heating and isothermal cracking processes, with a total data volume of approximately 141 GB (including 150000 atomic configuration frames). The data is stored in a hierarchical directory structure, supporting multi-scale oxidative pyrolysis mechanism studies and providing atomic-scale dynamic evidence for revealing carbon chain length effects and temperature sensitivity.
{"title":"Molecular dataset based on paraffin oxidative pyrolysis","authors":"Lin YANG , Yanfang YANG , Kuan LU","doi":"10.1016/S1872-5813(26)60646-9","DOIUrl":"10.1016/S1872-5813(26)60646-9","url":null,"abstract":"<div><div>As a key component of shale oil, petroleum fractions, and chemical products, the oxidative pyrolysis behavior of paraffin directly influences energy conversion efficiency and the direction of process optimization. A deep understanding of its oxidative pyrolysis mechanism is crucial for addressing wax deposition in oil and gas extraction, enhancing product selectivity in cracking processes, and advancing novel clean fuel technologies. Traditional experimental methods face challenges in capturing transient free-radical reaction pathways at high temperatures, whereas molecular dynamics simulations offer a powerful approach to bridge the research gap in elucidating atomic-scale dynamic mechanisms. This database is constructed based on high-precision molecular dynamics simulations, comprising oxidative pyrolysis trajectory data for three paraffin models featuring different straight-chain hydrocarbon distributions within the temperature range of 2100–2500 K. The COMPASS force field was employed to optimize the initial structures, and the ReaxFF reactive force field was used to simulate the oxidative pyrolysis process. The database includes atomic trajectories, species evolution information, and reaction network analysis results for both heating and isothermal cracking processes, with a total data volume of approximately 141 GB (including 150000 atomic configuration frames). The data is stored in a hierarchical directory structure, supporting multi-scale oxidative pyrolysis mechanism studies and providing atomic-scale dynamic evidence for revealing carbon chain length effects and temperature sensitivity.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (281KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250365"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60617-7
Zhehan LI, Xiaolu WANG, Fan LEI, Jianxiu HAO, Huacong ZHOU, Yanpeng BAN, Na LI, Keduan ZHI, Quansheng LIU
The global energy landscape is undergoing a profound transformation, with wind energy, especially wind power, gaining increasing prominence due to its clean, renewable nature. However, as the installed capacity of wind power continues to expand, the disposal of waste wind turbine blades (WWTB) has emerged as a significant challenge. These blades are predominantly composed of epoxy resin (EP) polymers, carbon fibers (CFs), and glass fibers (GFs). Improper disposal not only exacerbates environmental concerns but also leads to the loss of valuable resources, particularly carbon-based materials. Pyrolysis technology, a versatile and environmentally sustainable method for resource recovery, has garnered considerable attention in the context of WWTB disposal. This work presents a comprehensive review of the pyrolytic recycling of WWTB, focusing on the principles and classifications of pyrolysis technology, key factors influencing the pyrolysis process, as well as the pyrolysis methods, equipment, products, and their applications. Through an in-depth analysis of the current research on the pyrolytic recycling of WWTB, this review identifies critical unresolved issues in the field and provides a forward-looking perspective on emerging research trends.
{"title":"Research advances in the pyrolysis recycling of waste wind turbine blades","authors":"Zhehan LI, Xiaolu WANG, Fan LEI, Jianxiu HAO, Huacong ZHOU, Yanpeng BAN, Na LI, Keduan ZHI, Quansheng LIU","doi":"10.1016/S1872-5813(25)60617-7","DOIUrl":"10.1016/S1872-5813(25)60617-7","url":null,"abstract":"<div><div>The global energy landscape is undergoing a profound transformation, with wind energy, especially wind power, gaining increasing prominence due to its clean, renewable nature. However, as the installed capacity of wind power continues to expand, the disposal of waste wind turbine blades (WWTB) has emerged as a significant challenge. These blades are predominantly composed of epoxy resin (EP) polymers, carbon fibers (CFs), and glass fibers (GFs). Improper disposal not only exacerbates environmental concerns but also leads to the loss of valuable resources, particularly carbon-based materials. Pyrolysis technology, a versatile and environmentally sustainable method for resource recovery, has garnered considerable attention in the context of WWTB disposal. This work presents a comprehensive review of the pyrolytic recycling of WWTB, focusing on the principles and classifications of pyrolysis technology, key factors influencing the pyrolysis process, as well as the pyrolysis methods, equipment, products, and their applications. Through an in-depth analysis of the current research on the pyrolytic recycling of WWTB, this review identifies critical unresolved issues in the field and provides a forward-looking perspective on emerging research trends.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (77KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250251"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147410111","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60600-1
Baozi PENG , Zhen LIU , Jin BAI , Huaizhu LI , Kaidi SUN , Haiquan AN , Jun LI
The service life of refractory brick in the slag tapping hole of gasifiers is a significant concern for long-term and stable operation. This study examined the damage mechanism of high chromia refractory of four commercial coal-water slurry gasifiers with their corresponding gasification coal samples and the corroded refractory bricks in the slag tapping hole of the gasifier. The slag characteristic, including crystallization and viscosity-temperature of four gasification coal samples were analyzed. The results revealed that the low viscosity slag could lead to more severe damage to refractory bricks. Given the risk of slag crystallization, it is recommended to establish a safe slag tapping temperature range should be set as tICT (initial crystallization temperature) – t2.5 when tICT is higher than t25. Upon examining interior morphology of these corroded refractory bricks, some cracks were observed within them. The chemical composition of molten slag was analyzed using SEM-EDS. However, XRD results found no spinel containing zirconium in these cracks. This suggests that the emergence of these cracks are mainly attributed to the molten slag penetration and the subsequent reaction with the refractory material. The difference in thermal expansion between the newly formed substances and refractory material is critical in forming these cracks. Furthermore, SEM-EDS analysis was also conducted on the slag-aggregate and the slag-matrix interface. The results reveal that the reduction in Cr2O3 content is the earliest characteristic of damage in high chromia refractories. A proposed damage mechanism of refractory brick suggests that the matrix and aggregate of high chromia refractory are initially compromised because of the reduced Cr2O3 content. Subsequently, the molten slag penetrates the interior of the refractory brick, forming new substances, leading to damage caused by the difference in thermal expansion between the new substances and the refractory brick. Understanding and preventing the reduction of Cr2O3 content is vital to prolonging the service life of refractory brick in the slag tapping hole of the gasifier based on this damage mechanism.
{"title":"Study on the damage mechanism of high chromia refractory in the slag tapping hole of commercial entrained-flow gasifier","authors":"Baozi PENG , Zhen LIU , Jin BAI , Huaizhu LI , Kaidi SUN , Haiquan AN , Jun LI","doi":"10.1016/S1872-5813(25)60600-1","DOIUrl":"10.1016/S1872-5813(25)60600-1","url":null,"abstract":"<div><div>The service life of refractory brick in the slag tapping hole of gasifiers is a significant concern for long-term and stable operation. This study examined the damage mechanism of high chromia refractory of four commercial coal-water slurry gasifiers with their corresponding gasification coal samples and the corroded refractory bricks in the slag tapping hole of the gasifier. The slag characteristic, including crystallization and viscosity-temperature of four gasification coal samples were analyzed. The results revealed that the low viscosity slag could lead to more severe damage to refractory bricks. Given the risk of slag crystallization, it is recommended to establish a safe slag tapping temperature range should be set as <em>t</em><sub>ICT</sub> (initial crystallization temperature) – <em>t</em><sub>2.5</sub> when <em>t</em><sub>ICT</sub> is higher than <em>t</em><sub>25</sub>. Upon examining interior morphology of these corroded refractory bricks, some cracks were observed within them. The chemical composition of molten slag was analyzed using SEM-EDS. However, XRD results found no spinel containing zirconium in these cracks. This suggests that the emergence of these cracks are mainly attributed to the molten slag penetration and the subsequent reaction with the refractory material. The difference in thermal expansion between the newly formed substances and refractory material is critical in forming these cracks. Furthermore, SEM-EDS analysis was also conducted on the slag-aggregate and the slag-matrix interface. The results reveal that the reduction in Cr<sub>2</sub>O<sub>3</sub> content is the earliest characteristic of damage in high chromia refractories. A proposed damage mechanism of refractory brick suggests that the matrix and aggregate of high chromia refractory are initially compromised because of the reduced Cr<sub>2</sub>O<sub>3</sub> content. Subsequently, the molten slag penetrates the interior of the refractory brick, forming new substances, leading to damage caused by the difference in thermal expansion between the new substances and the refractory brick. Understanding and preventing the reduction of Cr<sub>2</sub>O<sub>3</sub> content is vital to prolonging the service life of refractory brick in the slag tapping hole of the gasifier based on this damage mechanism.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (163KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250193"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60613-X
Chao YU, Boya ZHANG, Kai SHEN, Yuxuan HAN, Yaping ZHANG
This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO2 catalysts, with a focus on examining how preparation methods and Co loading regulate the catalyst's low-temperature denitrification activity. After identifying optimal preparation parameters via condition screening, multiple characterization techniques-including BET, XRD, XPS, H2-TPR and in situ DRIFTS-were employed to deeply analyze the catalyst's physicochemical properties and reaction mechanism. Results demonstrated that compared to the impregnation and co-precipitation methods, the Ce-Co0.025/TiO2-SG catalyst (prepared by the sol-gel method with a Co/Ti mass ratio of 0.025) exhibited significantly superior denitrification activity: NO conversion remained stably above 95% in the 225–350 °C temperature range, and it displayed high N2 selectivity. Characterization analysis revealed that abundant surface oxygen vacancies, a high proportion of Ce3+ species, and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance. This work provides reference value for the development of highly efficient low-temperature denitrification catalysts.
{"title":"Study on the effect of preparation method on denitration performance of Co-modified Ce/TiO2 catalyst","authors":"Chao YU, Boya ZHANG, Kai SHEN, Yuxuan HAN, Yaping ZHANG","doi":"10.1016/S1872-5813(25)60613-X","DOIUrl":"10.1016/S1872-5813(25)60613-X","url":null,"abstract":"<div><div>This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO<sub>2</sub> catalysts, with a focus on examining how preparation methods and Co loading regulate the catalyst's low-temperature denitrification activity. After identifying optimal preparation parameters <em>via</em> condition screening, multiple characterization techniques-including BET, XRD, XPS, H<sub>2</sub>-TPR and <em>in situ</em> DRIFTS-were employed to deeply analyze the catalyst's physicochemical properties and reaction mechanism. Results demonstrated that compared to the impregnation and co-precipitation methods, the Ce-Co<sub>0.025</sub>/TiO<sub>2</sub>-SG catalyst (prepared by the sol-gel method with a Co/Ti mass ratio of 0.025) exhibited significantly superior denitrification activity: NO conversion remained stably above 95% in the 225–350 °C temperature range, and it displayed high N<sub>2</sub> selectivity. Characterization analysis revealed that abundant surface oxygen vacancies, a high proportion of Ce<sup>3+</sup> species, and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance. This work provides reference value for the development of highly efficient low-temperature denitrification catalysts.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (75KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250234"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lignin-derived oxygenated aromatics, particularly phenols and aromatic ethers obtained through depolymerization, represent promising feedstocks for synthesizing high-density and high-heat-sink aviation fuels via alkylation-hydrogenation processes. This study systematically evaluates the catalytic performance of various zeolites (Hβ, HZSM-5, MCM-41 and HUSY) in the alkylation reaction of phenol with cyclohexanol. Characterization results demonstrate that HUSY zeolite showed superior catalytic activity compared to other zeolites, attributable to its favorable pore architecture and well-balanced acid site distribution that synergistically facilitate molecular diffusion and catalytic transformations. To further enhance the catalytic properties, HUSY zeolite was modified with citric acid at various concentrations and compared with those treated with NaOH and oxalic acid. The results revealed that citric acid treatment preserved the crystallinity of the zeolite while modulating its acid distribution and pore structure. All modified zeolites enhanced phenol alkylation activity. Notably, the HUSY-0.5M catalyst, which exhibited the highest medium-strong acid to total acid ratio, achieved superior catalytic performance, 80.4% conversion of phenol and 99.6% selectivity for alkylation products. The catalyst also exhibited high activity in the alkylation of various lignin-derived compounds, demonstrating its broad applicability. This work provides a new strategy for the valorization of lignin-derived phenols into high-value fuel precursors through alkylation.
{"title":"The study on citric acid-modified HUSY catalyzed alkylation of phenol with cyclohexanol","authors":"Canhao HUA , Jingfeng WU , Lingjun ZHU , Guangwen XU , Shurong WANG","doi":"10.1016/S1872-5813(25)60581-0","DOIUrl":"10.1016/S1872-5813(25)60581-0","url":null,"abstract":"<div><div>Lignin-derived oxygenated aromatics, particularly phenols and aromatic ethers obtained through depolymerization, represent promising feedstocks for synthesizing high-density and high-heat-sink aviation fuels <em>via</em> alkylation-hydrogenation processes. This study systematically evaluates the catalytic performance of various zeolites (Hβ, HZSM-5, MCM-41 and HUSY) in the alkylation reaction of phenol with cyclohexanol. Characterization results demonstrate that HUSY zeolite showed superior catalytic activity compared to other zeolites, attributable to its favorable pore architecture and well-balanced acid site distribution that synergistically facilitate molecular diffusion and catalytic transformations. To further enhance the catalytic properties, HUSY zeolite was modified with citric acid at various concentrations and compared with those treated with NaOH and oxalic acid. The results revealed that citric acid treatment preserved the crystallinity of the zeolite while modulating its acid distribution and pore structure. All modified zeolites enhanced phenol alkylation activity. Notably, the HUSY-0.5M catalyst, which exhibited the highest medium-strong acid to total acid ratio, achieved superior catalytic performance, 80.4% conversion of phenol and 99.6% selectivity for alkylation products. The catalyst also exhibited high activity in the alkylation of various lignin-derived compounds, demonstrating its broad applicability. This work provides a new strategy for the valorization of lignin-derived phenols into high-value fuel precursors through alkylation.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (130KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250121"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60604-9
Lang FU , Dingding YAO , Qiang HU , Shuiping YAN , Haiping YANG
CO2 capture and utilization (CCU) technologies have been recognized as crucial strategies for mitigating global warming, reducing carbon emission, and promoting resource circularity. As such, the design and development of related materials have attracted considerable research attention. Carbon-based materials, characterized by tunable pore structures, abundant active sites, high specific surface area, and excellent chemical stability, demonstrate significant potential for applications in CO2 capture and utilization. This review systematically analyzes the adsorption behaviors and performance variations of typical carbon materials, including activated carbon, porous carbon, graphene, and carbon nanotubes during CO2 capture processes. Concerning CO2 utilization, emphasis is placed on recent advances in the catalytic applications of carbon-based materials in key reactions such as methanation, reverse water-gas shift, dry reforming of methane, and alcohol synthesis. Moreover, the benefits and drawbacks of carbon materials in terms of CO2 adsorption capacity, catalytic activity, and stability are thoroughly evaluated, and their potential applications in integrated CO2 capture and utilization technologies are discussed. Finally, key strategies for enhancing the performance of carbonaceous materials through structural modulation and surface modification are elucidated. This review aims to provide theoretical guidance for the future development and large-scale implementation of carbon-based materials in CCU technologies.
{"title":"Recent advances in carbon-based materials for CO2 capture and utilization","authors":"Lang FU , Dingding YAO , Qiang HU , Shuiping YAN , Haiping YANG","doi":"10.1016/S1872-5813(25)60604-9","DOIUrl":"10.1016/S1872-5813(25)60604-9","url":null,"abstract":"<div><div>CO<sub>2</sub> capture and utilization (CCU) technologies have been recognized as crucial strategies for mitigating global warming, reducing carbon emission, and promoting resource circularity. As such, the design and development of related materials have attracted considerable research attention. Carbon-based materials, characterized by tunable pore structures, abundant active sites, high specific surface area, and excellent chemical stability, demonstrate significant potential for applications in CO<sub>2</sub> capture and utilization. This review systematically analyzes the adsorption behaviors and performance variations of typical carbon materials, including activated carbon, porous carbon, graphene, and carbon nanotubes during CO<sub>2</sub> capture processes. Concerning CO<sub>2</sub> utilization, emphasis is placed on recent advances in the catalytic applications of carbon-based materials in key reactions such as methanation, reverse water-gas shift, dry reforming of methane, and alcohol synthesis. Moreover, the benefits and drawbacks of carbon materials in terms of CO<sub>2</sub> adsorption capacity, catalytic activity, and stability are thoroughly evaluated, and their potential applications in integrated CO<sub>2</sub> capture and utilization technologies are discussed. Finally, key strategies for enhancing the performance of carbonaceous materials through structural modulation and surface modification are elucidated. This review aims to provide theoretical guidance for the future development and large-scale implementation of carbon-based materials in CCU technologies.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (233KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20251087"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-03-01Epub Date: 2026-02-19DOI: 10.1016/S1872-5813(25)60607-4
Wanli XING, Bingjie YANG, Wanli ZHANG, Xingping KAI, Quan ZHOU, Tianhua YANG
In this paper, the Ni/Al2O3 monolithic catalyst with 15% Ni content was prepared using cordierite as a matrix, and the catalyst was modified with 10% NaOH to study the methanation performance of biomass gasification simulated gas based on alkali-modified Ni/Al2O3 monolithic catalyst. BET, TEM, H2-TPR, XRD, CO2-TPD and TG were used to characterize the physicochemical properties of the catalyst before and after modification. The results indicated that the CO conversion rate trends of unmodified and modified Ni/Al2O3 monolithic catalysts over 2 h were fundamentally consistent. However, the Ni/Al2O3 catalysts modified for 2 h demonstrated significantly enhanced performance compared to those modified for 1 h. Regarding CH4 selectivity, the modified Ni/Al2O3 catalyst exhibited markedly better performance than the unmodified Ni/Al2O3 catalyst, confirming the enhanced methane performance of the alkali-modified Ni/Al2O3 monolithic catalyst. Under optimized conditions (H2/CO volume ratio of 3:1, space velocity of 10000 mL/(g·h), and temperature of 400 °C), the methanation performance of the Ni/Al2O3 monolithic catalyst modified for 2 h reached its peak, achieving a CO conversion rate of 97% with 100% CH4 selectivity.
{"title":"Research on the methanation properties of biomass gasification simulation based on alkali-modified Ni/Al2O3 catalysts","authors":"Wanli XING, Bingjie YANG, Wanli ZHANG, Xingping KAI, Quan ZHOU, Tianhua YANG","doi":"10.1016/S1872-5813(25)60607-4","DOIUrl":"10.1016/S1872-5813(25)60607-4","url":null,"abstract":"<div><div>In this paper, the Ni/Al<sub>2</sub>O<sub>3</sub> monolithic catalyst with 15% Ni content was prepared using cordierite as a matrix, and the catalyst was modified with 10% NaOH to study the methanation performance of biomass gasification simulated gas based on alkali-modified Ni/Al<sub>2</sub>O<sub>3</sub> monolithic catalyst. BET, TEM, H<sub>2</sub>-TPR, XRD, CO<sub>2</sub>-TPD and TG were used to characterize the physicochemical properties of the catalyst before and after modification. The results indicated that the CO conversion rate trends of unmodified and modified Ni/Al<sub>2</sub>O<sub>3</sub> monolithic catalysts over 2 h were fundamentally consistent. However, the Ni/Al<sub>2</sub>O<sub>3</sub> catalysts modified for 2 h demonstrated significantly enhanced performance compared to those modified for 1 h. Regarding CH<sub>4</sub> selectivity, the modified Ni/Al<sub>2</sub>O<sub>3</sub> catalyst exhibited markedly better performance than the unmodified Ni/Al<sub>2</sub>O<sub>3</sub> catalyst, confirming the enhanced methane performance of the alkali-modified Ni/Al<sub>2</sub>O<sub>3</sub> monolithic catalyst. Under optimized conditions (H<sub>2</sub>/CO volume ratio of 3:1, space velocity of 10000 mL/(g·h), and temperature of 400 °C), the methanation performance of the Ni/Al<sub>2</sub>O<sub>3</sub> monolithic catalyst modified for 2 h reached its peak, achieving a CO conversion rate of 97% with 100% CH<sub>4</sub> selectivity.</div><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (157KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 3","pages":"Article 20250184"},"PeriodicalIF":0.0,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147409568","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2026-02-13DOI: 10.1016/S1872-5813(26)60633-0
Na GUO , Jinhai YANG , Ning ZHAO , Qiang WANG , Fukui XIAO
Propylene oxide (PO) is an important petrochemical materials used to produce downstream products such as propylene glycol (PG), polyether polyols, and dipropylene glycol (DPG). Among these, DPG is commonly used as a solvent for fragrances, cosmetics, food additives, and detergents, and can also be served as a moisturizer in cosmetics, showing broad application prospects. The distribution of DPG isomers in the products synthesized from PO and PG has a significant impact on the quality of the products. Therefore, conducting thermodynamic calculation on the reaction of PO and PG to synthesize DPG can provide a theoretical basis for practical operations and product distribution regulation. So, in this paper, the thermodynamic parameters of PO, 1,2-PG, H2O, tripropylene glycol (TPG) and three isomers of DPG under different reaction conditions is calculated. Additionally, the ΔrG, ΔrH and lnK for four potential reactions at various reaction temperatures and pressures are calculated. By designing isodesmic reactions and combining the results of thermodynamic calculations, the ΔfHθ and ΔfGθ for the isomers of DPG are obtained, and the relative error is less than 7%. The results show that in the process of preparing DPG by PO and PG, when PO:PG = 1, the reaction temperature ranges from 298.15 to 413.15 K, and the pressure ranges from 101.325 to 506.625 kPa, the reactions of PO + PG ⇌ DPG and PO + DPG ⇌ TPG are thermodynamically spontaneous. While the reactions of PG + PG ⇌ DPG+H2O and PG + DPG ⇌ TPG+H2O are thermodynamically unspontaneous. The optimal reaction temperature and pressure are 413.15 K and 101.325 kPa. The thermodynamic stability of the three isomers is DPG1>DPG2>DPG3 under standard conditions. The accuracy of the computational results is verified through experimental design, and based on this, the factors affecting product distribution are analyzed.
{"title":"Thermodynamic study and experimental verification on the product distribution of the synthesis of dipropylene glycol from propylene oxide and propylene glycol","authors":"Na GUO , Jinhai YANG , Ning ZHAO , Qiang WANG , Fukui XIAO","doi":"10.1016/S1872-5813(26)60633-0","DOIUrl":"10.1016/S1872-5813(26)60633-0","url":null,"abstract":"<div><div>Propylene oxide (PO) is an important petrochemical materials used to produce downstream products such as propylene glycol (PG), polyether polyols, and dipropylene glycol (DPG). Among these, DPG is commonly used as a solvent for fragrances, cosmetics, food additives, and detergents, and can also be served as a moisturizer in cosmetics, showing broad application prospects. The distribution of DPG isomers in the products synthesized from PO and PG has a significant impact on the quality of the products. Therefore, conducting thermodynamic calculation on the reaction of PO and PG to synthesize DPG can provide a theoretical basis for practical operations and product distribution regulation. So, in this paper, the thermodynamic parameters of PO, 1,2-PG, H<sub>2</sub>O, tripropylene glycol (TPG) and three isomers of DPG under different reaction conditions is calculated. Additionally, the Δ<sub>r</sub><em>G</em>, Δ<sub>r</sub><em>H</em> and ln<em>K</em> for four potential reactions at various reaction temperatures and pressures are calculated. By designing isodesmic reactions and combining the results of thermodynamic calculations, the Δ<sub>f</sub><em>H</em><sup>θ</sup> and Δ<sub>f</sub><em>G</em><sup>θ</sup> for the isomers of DPG are obtained, and the relative error is less than 7%. The results show that in the process of preparing DPG by PO and PG, when PO:PG = 1, the reaction temperature ranges from 298.15 to 413.15 K, and the pressure ranges from 101.325 to 506.625 kPa, the reactions of PO + PG ⇌ DPG and PO + DPG ⇌ TPG are thermodynamically spontaneous. While the reactions of PG + PG ⇌ DPG+H<sub>2</sub>O and PG + DPG ⇌ TPG+H<sub>2</sub>O are thermodynamically unspontaneous. The optimal reaction temperature and pressure are 413.15 K and 101.325 kPa. The thermodynamic stability of the three isomers is DPG1>DPG2>DPG3 under standard conditions. The accuracy of the computational results is verified through experimental design, and based on this, the factors affecting product distribution are analyzed.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (170KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 2","pages":"Article 20250179"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2026-02-13DOI: 10.1016/S1872-5813(25)60605-0
Yue QIN, Ke TANG, Xin HONG, Han WANG, Shuo SHEN, Jinghui CHEN
The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine, aniline or quinoline in simulated fuels with basic nitrogen content of 1732 μg/g was evaluated separately. Furthermore, the effects of adsorption temperature, adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated. The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL, the optimal removal efficiency for aniline was achieved at 30 °C within 30 min, whereas higher temperatures and longer times (40 °C and 40 min) were required for effective removal of pyridine and quinoline. Density Functional Theory (DFT) calculations were conducted via Materials Studio (MS) software to study the adsorptive denitrification mechanism of MIL-101(Cr) toward these three basic nitrogen-containing compounds. The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr) primarily involved coordination adsorption. In contrast, the interaction between aniline or quinoline and MIL-101(Cr) proceeded mainly through coordination, with additional contributions from π-complexation and hydrogen bonding. The overall adsorption strength order is pyridine > aniline > quinoline. During the adsorption process, pyridine and quinoline transfer electrons to the MIL-101(Cr) surface through the H→C→N→Cr3+ pathway, while aniline transfers electrons to the MIL-101(Cr) surface through various pathways, including N→Cr3+, N→C→Cr3+ and N→H→O. Furthermore, adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models. The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline. Finally, the adsorbent was regenerated using ethanol washing. It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles.
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分别评价了MIL-101(Cr)-0.5在碱性氮含量为1732 μg/g的模拟燃料中对吡啶、苯胺和喹啉的吸附脱硝性能。系统考察了吸附温度、吸附时间和吸附剂用量对其吸附脱氮性能的影响。实验结果表明，在固定吸附剂用量为0.05 g、模拟燃料体积为10 mL的条件下，在30℃条件下对苯胺的脱除效果最佳，脱除时间为30 min，而吡啶和喹啉的脱除则需要更高的温度和更长的时间（40℃和40 min）。通过Materials Studio （MS）软件进行密度泛函理论（DFT）计算，研究MIL-101（Cr）对这三种碱性含氮化合物的吸附脱氮机理。模拟计算结果表明，吡啶与MIL-101（Cr）的相互作用主要以配位吸附为主。苯胺或喹啉与MIL-101（Cr）的相互作用主要通过配位进行，π络合和氢键也有作用。总体吸附强度顺序为吡啶类→苯胺类→喹啉类。在吸附过程中，吡啶和喹啉通过H→C→N→Cr3+途径将电子转移到MIL-101（Cr）表面，苯胺通过N→Cr3+、N→C→Cr3+和N→H→O等多种途径将电子转移到MIL-101（Cr）表面。吸附动力学研究表明，三种碱性含氮化合物的吸附过程均符合准二级动力学模型。苯对MIL-101(Cr)-0.5吸附脱氮性能影响的实验结果表明，苯对苯胺和喹啉的吸附影响更为显著。最后，采用乙醇洗涤法对吸附剂进行再生。结果表明，MIL-101(Cr)-0.5经过两次再生后仍能保持稳定的脱氮性能。下载：下载高清图片（128KB）下载：下载全尺寸图片
{"title":"Study on the adsorptive denitrification performance of MIL-101(Cr) and its theoretical calculation","authors":"Yue QIN, Ke TANG, Xin HONG, Han WANG, Shuo SHEN, Jinghui CHEN","doi":"10.1016/S1872-5813(25)60605-0","DOIUrl":"10.1016/S1872-5813(25)60605-0","url":null,"abstract":"<div><div>The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine, aniline or quinoline in simulated fuels with basic nitrogen content of 1732 μg/g was evaluated separately. Furthermore, the effects of adsorption temperature, adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated. The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL, the optimal removal efficiency for aniline was achieved at 30 °C within 30 min, whereas higher temperatures and longer times (40 °C and 40 min) were required for effective removal of pyridine and quinoline. Density Functional Theory (DFT) calculations were conducted via Materials Studio (MS) software to study the adsorptive denitrification mechanism of MIL-101(Cr) toward these three basic nitrogen-containing compounds. The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr) primarily involved coordination adsorption. In contrast, the interaction between aniline or quinoline and MIL-101(Cr) proceeded mainly through coordination, with additional contributions from π-complexation and hydrogen bonding. The overall adsorption strength order is pyridine > aniline > quinoline. During the adsorption process, pyridine and quinoline transfer electrons to the MIL-101(Cr) surface through the H→C→N→Cr<sup>3+</sup> pathway, while aniline transfers electrons to the MIL-101(Cr) surface through various pathways, including N→Cr<sup>3+</sup>, N→C→Cr<sup>3+</sup> and N→H→O. Furthermore, adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models. The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline. Finally, the adsorbent was regenerated using ethanol washing. It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (128KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":15956,"journal":{"name":"燃料化学学报","volume":"54 2","pages":"Article 20250172"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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