Pub Date : 2026-02-01Epub Date: 2026-02-13DOI: 10.1016/S1872-5813(25)60606-2
Hangyu WEN, Shuyang HOU, Kai WANG, Kaihua ZHANG, Kai ZHANG
It is crucial to develop arsenic removal adsorbents with strong sulfur resistance under middle-low-temperature flue gas conditions (<400 °C). In this work, five Fe-Ce-La oxides were prepared by co-precipitation method, and FeCeLaO/SiO2-Al2O3 composite adsorbents were prepared by coupling fly ash-based Si-Al carriers. The active components Fe-Ce-La oxides and Si-Al carriers were characterized by TPD, TG, XRF, BET and XPS, respectively. The effects of temperature, Si/Al ratio and FeCeLaO loading rate on the sulfur resistance were investigated. Results show that the SO2 promotes the arsenic removal of Fe2O3, CeLaO and FeCeLaO. At 400 °C, the arsenic removal efficiencies of the three oxides increase from 45.3%, 72.5% and 81.3% without SO2 to 62.6%, 80.5% and 91.0%, respectively. The SO2 inhibits the arsenic removal of La2O2CO3 and FeLaO, and the inhibition effect is pronounced at high temperatures. The sulfur poisoning resistance of Si-Al carriers increases with the increase of Si/Al ratio. When the Si/Al ratio is increased to 9.74, the arsenic removal efficiency in the SO2 environment is 13.9% higher than that in the absence of SO2. Introducing FeCeLaO active components is beneficial for enhancing the SO2 poisoning resistance of Si-Al carriers. The strong sulfur resistance of the FeCeLaO/SiO2-Al2O3 composite adsorbent results from multiple factors: protective effects of Ce on Fe, La and Al; sulfation-induced generation of Ce3+ and surface-adsorbed oxygen; and strong surface acidity of SiO2.
{"title":"High resistance SO2 adsorbent of Fe-Ce-La oxides @ Si-Al carrier for arsenic capture from middle-low-temperature flue gas","authors":"Hangyu WEN, Shuyang HOU, Kai WANG, Kaihua ZHANG, Kai ZHANG","doi":"10.1016/S1872-5813(25)60606-2","DOIUrl":"10.1016/S1872-5813(25)60606-2","url":null,"abstract":"<div><div>It is crucial to develop arsenic removal adsorbents with strong sulfur resistance under middle-low-temperature flue gas conditions (<400 °C). In this work, five Fe-Ce-La oxides were prepared by co-precipitation method, and FeCeLaO/SiO<sub>2</sub>-Al<sub>2</sub>O<sub>3</sub> composite adsorbents were prepared by coupling fly ash-based Si-Al carriers. The active components Fe-Ce-La oxides and Si-Al carriers were characterized by TPD, TG, XRF, BET and XPS, respectively. The effects of temperature, Si/Al ratio and FeCeLaO loading rate on the sulfur resistance were investigated. Results show that the SO<sub>2</sub> promotes the arsenic removal of Fe<sub>2</sub>O<sub>3</sub>, CeLaO and FeCeLaO. At 400 °C, the arsenic removal efficiencies of the three oxides increase from 45.3%, 72.5% and 81.3% without SO<sub>2</sub> to 62.6%, 80.5% and 91.0%, respectively. The SO<sub>2</sub> inhibits the arsenic removal of La<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> and FeLaO, and the inhibition effect is pronounced at high temperatures. The sulfur poisoning resistance of Si-Al carriers increases with the increase of Si/Al ratio. When the Si/Al ratio is increased to 9.74, the arsenic removal efficiency in the SO<sub>2</sub> environment is 13.9% higher than that in the absence of SO<sub>2</sub>. Introducing FeCeLaO active components is beneficial for enhancing the SO<sub>2</sub> poisoning resistance of Si-Al carriers. The strong sulfur resistance of the FeCeLaO/SiO<sub>2</sub>-Al<sub>2</sub>O<sub>3</sub> composite adsorbent results from multiple factors: protective effects of Ce on Fe, La and Al; sulfation-induced generation of Ce<sup>3+</sup> and surface-adsorbed oxygen; and strong surface acidity of SiO<sub>2</sub>.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (243KB)</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 20250144"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172827","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)60603-7
Chuang YANG , Kangjun WANG , Jinzhe LI , Zhongmin LIU
The coupling reactions of methanol and long-chain alkanes (n-dodecane, n-tetradecane and n-hexadecane) over CHA-type molecular sieves were studied in a fixed bed reactor. Over SAPO-34 and SSZ-13, it was found that the induction period of methanol conversion was shortened by the introduction of long-chain alkanes. However, the addition of long-chain alkanes had little influence on the product distribution. Polymethylbenzenes and the derivatives were the main retained species on spent SSZ-13 catalyst, while adamantanes were the main retained species on SAPO-34. This indicates that coking species formation was mainly related to the further transformation of long-chain alkane/methanol coupling products at acid sites of the molecular sieve. These findings provide valuable information of long chain alkanes conversion and methanol reaction behavior of induction period over small pore CHA molecular sieves.
{"title":"Coupling of methanol and long chain alkanes on molecular sieves with CHA structures","authors":"Chuang YANG , Kangjun WANG , Jinzhe LI , Zhongmin LIU","doi":"10.1016/S1872-5813(25)60603-7","DOIUrl":"10.1016/S1872-5813(25)60603-7","url":null,"abstract":"<div><div>The coupling reactions of methanol and long-chain alkanes (<em>n</em>-dodecane, <em>n</em>-tetradecane and <em>n</em>-hexadecane) over CHA-type molecular sieves were studied in a fixed bed reactor. Over SAPO-34 and SSZ-13, it was found that the induction period of methanol conversion was shortened by the introduction of long-chain alkanes. However, the addition of long-chain alkanes had little influence on the product distribution. Polymethylbenzenes and the derivatives were the main retained species on spent SSZ-13 catalyst, while adamantanes were the main retained species on SAPO-34. This indicates that coking species formation was mainly related to the further transformation of long-chain alkane/methanol coupling products at acid sites of the molecular sieve. These findings provide valuable information of long chain alkanes conversion and methanol reaction behavior of induction period over small pore CHA molecular sieves.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (65KB)</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 20250054"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172826","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)60632-9
Wenbin HUANG , Meng SI , Zhen XU , Han YANG , Tianyu BAI , Yasong ZHOU , Qiang WEI
Aiming at the problems of insufficient activity and selectivity of Cu-based catalysts in CO2 hydrogenation to methanol, Al2O3, ZrO2 and CeO2 modified Cu-ZnO catalysts by the co-precipitation method were prepared, and the influence mechanism of additives on the structure-performance relationship of the catalysts was systematically explored. Through a variety of characterization methods such as XRD, N2 physical adsorption-desorption, TEM, H2-TPR, CO2-TPD and XPS, combined with catalytic performance evaluation experiments, the correlation between the microstructure of catalysts and the reaction performance of CO2 hydrogenation to methanol was analyzed in depth. The results show that metal additives significantly improve the performance of catalysts. After the introduction of additives, the specific surface area and pore volume of the catalysts increase, the grain size of Cu decreases, and its dispersion improves. The Ce-modified CZC catalyst exhibited the best performance, with the grain size of CuO as small as 11.41 nm, and the surface oxygen vacancy concentration (OII/OI = 3.15) was significantly higher than that of other samples. The reaction performance test shows that under the conditions of 2.8 MPa, 8000 h−1 and 280 °C, the CO2 conversion of the CZC catalyst reached 18.83%, the methanol selectivity was 68.40%, and the methanol yield was 12.88%, all of which are superior to other catalysts. Its excellent performance can be attributed to the fact that CeO2 enhances the metal-support interaction, increases the surface basicity, promotes the adsorption and activation of CO2, and simultaneously inhibits the reverse water-gas shift side reaction. This study clarifies the structure-activity regulation mechanism of additive modification on Cu-ZnO catalysts, providing a theoretical basis and technical reference for the development of efficient catalysts for CO2 hydrogenation to methanol.
{"title":"Structure-activity correlation mechanism of additive-modified Cu-based catalysts for methanol synthesis via CO2 hydrogenation","authors":"Wenbin HUANG , Meng SI , Zhen XU , Han YANG , Tianyu BAI , Yasong ZHOU , Qiang WEI","doi":"10.1016/S1872-5813(26)60632-9","DOIUrl":"10.1016/S1872-5813(26)60632-9","url":null,"abstract":"<div><div>Aiming at the problems of insufficient activity and selectivity of Cu-based catalysts in CO<sub>2</sub> hydrogenation to methanol, Al<sub>2</sub>O<sub>3</sub>, ZrO<sub>2</sub> and CeO<sub>2</sub> modified Cu-ZnO catalysts by the co-precipitation method were prepared, and the influence mechanism of additives on the structure-performance relationship of the catalysts was systematically explored. Through a variety of characterization methods such as XRD, N<sub>2</sub> physical adsorption-desorption, TEM, H<sub>2</sub>-TPR, CO<sub>2</sub>-TPD and XPS, combined with catalytic performance evaluation experiments, the correlation between the microstructure of catalysts and the reaction performance of CO<sub>2</sub> hydrogenation to methanol was analyzed in depth. The results show that metal additives significantly improve the performance of catalysts. After the introduction of additives, the specific surface area and pore volume of the catalysts increase, the grain size of Cu decreases, and its dispersion improves. The Ce-modified CZC catalyst exhibited the best performance, with the grain size of CuO as small as 11.41 nm, and the surface oxygen vacancy concentration (O<sub>II</sub>/O<sub>I</sub> = 3.15) was significantly higher than that of other samples. The reaction performance test shows that under the conditions of 2.8 MPa, 8000 h<sup>−1</sup> and 280 °C, the CO<sub>2</sub> conversion of the CZC catalyst reached 18.83%, the methanol selectivity was 68.40%, and the methanol yield was 12.88%, all of which are superior to other catalysts. Its excellent performance can be attributed to the fact that CeO<sub>2</sub> enhances the metal-support interaction, increases the surface basicity, promotes the adsorption and activation of CO<sub>2</sub>, and simultaneously inhibits the reverse water-gas shift side reaction. This study clarifies the structure-activity regulation mechanism of additive modification on Cu-ZnO catalysts, providing a theoretical basis and technical reference for the development of efficient catalysts for CO<sub>2</sub> hydrogenation to methanol.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (139KB)</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 20250188"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172913","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}
To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives, this study incorporated two typical additives, coal tar pitch (CTP) and waste plastic (HDPE), into a blended coal sample and carried out pyrolysis experiments. The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques, including thermogravimetric analysis (TGA), X-ray diffraction (XRD) and Raman spectroscopy. Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range (350−600 °C) from colloidal layer formation to semi-coke conversion in coking coal, and to elucidate the regulatory effects of different additives on coal pyrolysis pathways. The results indicate that HDPE releases free radicals during high-temperature pyrolysis, accelerating the pyrolysis reaction and increase the yield of volatile components. Conversely, CTP facilitates pyrolysis at low temperatures through its light components, thereby delaying high-temperature reactions due to the colloidal layer's effect. XRD results indicate that during the process of pyrolysis, there is a progressive decrease in the interlayer spacing of aromatic layers (d002), while the aromatic ring stacking height (Lc) and lateral size (La) undergo significant of carbon skeleton ordering. Further comparative reveals that CTP partially suppresses structural ordering at low temperatures, whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism. Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char: the decrease in the ID/IG ratio between 350 and 550 °C is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds, leading to a reduction in defective structures; whereas the increase in ID/IG between 550 and 600 °C is closely associated with enhanced condensation reactions of aromatic structures. Correlation analysis further demonstrates progressive graphitization during pyrolysis, with a significant positive correlation (R2 > 0.85) observed between d002 and the full width at half maximum of the G-band (FWHM-G).
{"title":"Mechanism of microstructural evolution in coke during the co-pyrolysis of coking coal with organic additives","authors":"Xinni ZHAO , Lu TIAN , Peng YU , Xiuli XU , Jinxiao DOU , Jianglong YU","doi":"10.1016/S1872-5813(26)60634-2","DOIUrl":"10.1016/S1872-5813(26)60634-2","url":null,"abstract":"<div><div>To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives, this study incorporated two typical additives, coal tar pitch (CTP) and waste plastic (HDPE), into a blended coal sample and carried out pyrolysis experiments. The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques, including thermogravimetric analysis (TGA), X-ray diffraction (XRD) and Raman spectroscopy. Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range (350−600 °C) from colloidal layer formation to semi-coke conversion in coking coal, and to elucidate the regulatory effects of different additives on coal pyrolysis pathways. The results indicate that HDPE releases free radicals during high-temperature pyrolysis, accelerating the pyrolysis reaction and increase the yield of volatile components. Conversely, CTP facilitates pyrolysis at low temperatures through its light components, thereby delaying high-temperature reactions due to the colloidal layer's effect. XRD results indicate that during the process of pyrolysis, there is a progressive decrease in the interlayer spacing of aromatic layers (<em>d</em><sub>002</sub>), while the aromatic ring stacking height (<em>L</em><sub>c</sub>) and lateral size (<em>L</em><sub>a</sub>) undergo significant of carbon skeleton ordering. Further comparative reveals that CTP partially suppresses structural ordering at low temperatures, whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism. Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char: the decrease in the <em>I</em><sub>D</sub><em>/I</em><sub>G</sub> ratio between 350 and 550 °C is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds, leading to a reduction in defective structures; whereas the increase in <em>I</em><sub>D</sub><em>/I</em><sub>G</sub> between 550 and 600 °C is closely associated with enhanced condensation reactions of aromatic structures. Correlation analysis further demonstrates progressive graphitization during pyrolysis, with a significant positive correlation (<em>R</em><sup>2</sup> > 0.85) observed between <em>d</em><sub>002</sub> and the full width at half maximum of the G-band (FWHM-G).\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (143KB)</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 20250185"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172907","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)60608-6
Chao SUN , Bin ZHANG
Cyclohexene is an important raw material in the production of nylon. Selective hydrogenation of benzene is a key method for preparing cyclohexene. However, the Ru catalysts used in current industrial processes still face challenges, including high metal usage, high process costs, and low cyclohexene yield. This study utilizes existing literature data combined with machine learning methods to analyze the factors influencing benzene conversion, cyclohexene selectivity, and yield in the benzene hydrogenation to cyclohexene reaction. It constructs predictive models based on XGBoost and Random Forest algorithms. After analysis, it was found that reaction time, Ru content, and space velocity are key factors influencing cyclohexene yield, selectivity, and benzene conversion. Shapley Additive Explanations (SHAP) analysis and feature importance analysis further revealed the contribution of each variable to the reaction outcomes. Additionally, we randomly generated one million variable combinations using the Dirichlet distribution to attempt to predict high-yield catalyst formulations. This paper provides new insights into the application of machine learning in heterogeneous catalysis and offers some reference for further research.
{"title":"Insights and analysis of machine learning for benzene hydrogenation to cyclohexene","authors":"Chao SUN , Bin ZHANG","doi":"10.1016/S1872-5813(25)60608-6","DOIUrl":"10.1016/S1872-5813(25)60608-6","url":null,"abstract":"<div><div>Cyclohexene is an important raw material in the production of nylon. Selective hydrogenation of benzene is a key method for preparing cyclohexene. However, the Ru catalysts used in current industrial processes still face challenges, including high metal usage, high process costs, and low cyclohexene yield. This study utilizes existing literature data combined with machine learning methods to analyze the factors influencing benzene conversion, cyclohexene selectivity, and yield in the benzene hydrogenation to cyclohexene reaction. It constructs predictive models based on XGBoost and Random Forest algorithms. After analysis, it was found that reaction time, Ru content, and space velocity are key factors influencing cyclohexene yield, selectivity, and benzene conversion. Shapley Additive Explanations (SHAP) analysis and feature importance analysis further revealed the contribution of each variable to the reaction outcomes. Additionally, we randomly generated one million variable combinations using the Dirichlet distribution to attempt to predict high-yield catalyst formulations. This paper provides new insights into the application of machine learning in heterogeneous catalysis and offers some reference for further research.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (92KB)</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 20250212"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172830","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)60596-2
Shuang CHENG , Fei LI , Yuqi WANG , Xiangyi WANG , Sinan GUAN , Yi WANG , Yue WANG , Guancheng OU , Ming XU
As one of the most promising new energy sources, hydrogen energy is expected to usher in a full-fledged “hydrogen economy” in the 21st century. Compared with traditional high-pressure gaseous and cryogenic liquid hydrogen storage methods, solid-state chemical hydrogen storage shows significant advantages in safety, high efficiency, and cost-effectiveness. Magnesium-based lightweight hydrogen storage materials have attracted widespread attention due to their high gravimetric hydrogen storage density (7.6%) and favorable reversibility. However, their sluggish reaction kinetics and stringent operating conditions (with H2 release temperatures exceeding 350 °C and H2 absorption pressures above 4 MPa) pose major challenges for practical applications. Domestic and international researchers have conducted in-depth studies to address these issues, achieving substantial progress in the modification of magnesium-based hydrogen storage alloys. This paper systematically elaborates on major modification techniques such as alloying, nanostructuring, and catalytic material doping, providing a comprehensive analysis of the strengths and limitations of each approach. Furthermore, it offers prospects for the future development of magnesium-based hydrogen storage materials by integrating current theoretical and experimental research findings.
{"title":"Advances in modification approaches for Mg-based hydrogen storage materials","authors":"Shuang CHENG , Fei LI , Yuqi WANG , Xiangyi WANG , Sinan GUAN , Yi WANG , Yue WANG , Guancheng OU , Ming XU","doi":"10.1016/S1872-5813(25)60596-2","DOIUrl":"10.1016/S1872-5813(25)60596-2","url":null,"abstract":"<div><div>As one of the most promising new energy sources, hydrogen energy is expected to usher in a full-fledged “hydrogen economy” in the 21st century. Compared with traditional high-pressure gaseous and cryogenic liquid hydrogen storage methods, solid-state chemical hydrogen storage shows significant advantages in safety, high efficiency, and cost-effectiveness. Magnesium-based lightweight hydrogen storage materials have attracted widespread attention due to their high gravimetric hydrogen storage density (7.6%) and favorable reversibility. However, their sluggish reaction kinetics and stringent operating conditions (with H<sub>2</sub> release temperatures exceeding 350 °C and H<sub>2</sub> absorption pressures above 4 MPa) pose major challenges for practical applications. Domestic and international researchers have conducted in-depth studies to address these issues, achieving substantial progress in the modification of magnesium-based hydrogen storage alloys. This paper systematically elaborates on major modification techniques such as alloying, nanostructuring, and catalytic material doping, providing a comprehensive analysis of the strengths and limitations of each approach. Furthermore, it offers prospects for the future development of magnesium-based hydrogen storage materials by integrating current theoretical and experimental research findings.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (135KB)</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 20250153"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172909","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}
Biomass-based hydrocarbon fuels, as one of the alternatives to traditional fossil fuels, have attracted considerable attention in the energy field due to their renewability and environmental benefits. This article provides a systematic review of recent research progress in the chemical synthesis of biomass-based hydrocarbon fuels. It outlines the conversion pathways using feedstocks such as lipids, terpenoids, cellulose/hemicellulose, and lignin. Depending on the feedstock, various products with distinct structural characteristics can be prepared through reactions such as cyclization, condensation, and catalytic hydrogenation. Throughout the synthesis process, three key factors play a critical role: efficient catalyst development, production process optimization, and computational-chemistry-based molecular design. Finally, the article discusses future perspectives for biomass-based hydrocarbon fuel synthesis research.
{"title":"Research progress on chemical synthesis of biomass-based hydrocarbon fuels","authors":"Pengjun WU, Xinyang CHEN, Yitong DAI, Jingke FENG, Wenjun FANG, Yongsheng GUO","doi":"10.1016/S1872-5813(25)60614-1","DOIUrl":"10.1016/S1872-5813(25)60614-1","url":null,"abstract":"<div><div>Biomass-based hydrocarbon fuels, as one of the alternatives to traditional fossil fuels, have attracted considerable attention in the energy field due to their renewability and environmental benefits. This article provides a systematic review of recent research progress in the chemical synthesis of biomass-based hydrocarbon fuels. It outlines the conversion pathways using feedstocks such as lipids, terpenoids, cellulose/hemicellulose, and lignin. Depending on the feedstock, various products with distinct structural characteristics can be prepared through reactions such as cyclization, condensation, and catalytic hydrogenation. Throughout the synthesis process, three key factors play a critical role: efficient catalyst development, production process optimization, and computational-chemistry-based molecular design. Finally, the article discusses future perspectives for biomass-based hydrocarbon fuel synthesis research.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (65KB)</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 2025175"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172908","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)60601-3
Lu LIU, Shenyong REN, Chengshu YAO, Baojian SHEN, Chunming XU
Catalytic decomposition of methane, which produces high-purity hydrogen and high-value-added carbon nanomaterials, has shown considerable potential for development and is expected to yield significant economic benefits in the future. However, designing catalysts that simultaneously exhibit high activity and long-term stability remains a significant challenge. Tuning the catalyst's structure and electronic properties is an effective strategy for enhancing the reaction performance. In this work, a series of NixZr/ZSM-5 catalysts were prepared using the incipient wetness impregnation method, and the effect of Zr loadings on catalyst properties and performance was systematically investigated. The calcined and reduced catalysts were characterized by low-temperature N2 adsorption-desorption, XRD, SEM, H2-TPR and XPS. The results showed that the addition of Zr significantly increased the specific surface area of the catalyst and reduced the metal particle size. Smaller NiO particles were found to enter the pores of the HZSM-5 support, and electronic interactions between NiO and ZrO2 markedly enhanced the metal-support interaction. The catalyst exhibited optimal catalytic performance at a Zr loading of 5%, achieving a maximum methane conversion of 68% at 625 °C, maintaining activity for 900 min, and delivering a carbon yield of 1927%. Further increasing the Zr loading yielded only limited improvements in catalytic performance. Characterization of the spent catalysts and carbon products via TEM, Raman spectroscopy, and TGA revealed that the introduction of ZrO2 reduced metal sintering and promoted a shift in carbon nanofibers growth mode from tip-growth to base-growth. The mechanism of base-growth enabled the catalyst to maintain reaction activity for an extended period.
{"title":"The role of Zr in modulating the electronic and structural properties of supported Ni catalysts for catalytic decomposition of methane","authors":"Lu LIU, Shenyong REN, Chengshu YAO, Baojian SHEN, Chunming XU","doi":"10.1016/S1872-5813(25)60601-3","DOIUrl":"10.1016/S1872-5813(25)60601-3","url":null,"abstract":"<div><div>Catalytic decomposition of methane, which produces high-purity hydrogen and high-value-added carbon nanomaterials, has shown considerable potential for development and is expected to yield significant economic benefits in the future. However, designing catalysts that simultaneously exhibit high activity and long-term stability remains a significant challenge. Tuning the catalyst's structure and electronic properties is an effective strategy for enhancing the reaction performance. In this work, a series of Ni<em>x</em>Zr/ZSM-5 catalysts were prepared using the incipient wetness impregnation method, and the effect of Zr loadings on catalyst properties and performance was systematically investigated. The calcined and reduced catalysts were characterized by low-temperature N<sub>2</sub> adsorption-desorption, XRD, SEM, H<sub>2</sub>-TPR and XPS. The results showed that the addition of Zr significantly increased the specific surface area of the catalyst and reduced the metal particle size. Smaller NiO particles were found to enter the pores of the HZSM-5 support, and electronic interactions between NiO and ZrO<sub>2</sub> markedly enhanced the metal-support interaction. The catalyst exhibited optimal catalytic performance at a Zr loading of 5%, achieving a maximum methane conversion of 68% at 625 °C, maintaining activity for 900 min, and delivering a carbon yield of 1927%. Further increasing the Zr loading yielded only limited improvements in catalytic performance. Characterization of the spent catalysts and carbon products via TEM, Raman spectroscopy, and TGA revealed that the introduction of ZrO<sub>2</sub> reduced metal sintering and promoted a shift in carbon nanofibers growth mode from tip-growth to base-growth. The mechanism of base-growth enabled the catalyst to maintain reaction activity for an extended period.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (142KB)</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 20250192"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172912","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)60609-8
Jingtao HU, Jie WU, Bangqiang DENG, Dawei LIU, Long XU
Under the backdrop of “Carbon Peak and Carbon Neutrality” (dual carbon) goal in China, the methane-carbon dioxide reforming reaction has attracted considerable attention due to its environmental benefits of converting two greenhouse gases (methane and carbon dioxide) into syngas and its promising industrial applications. Nickel (Ni)-based catalysts, with high catalytic activity, low cost, and abundant resources, are considered ideal candidates for industrial applications. In this article, three reaction kinetic models were briefly introduced, namely the Power-Law (PL) model, the Eley-Rideal (ER) model, and the Langmuir-Hinshelwood-Hougen-Watson (LHHW) model. Based on the LHHW model, the reaction kinetics and mechanisms of different catalytic systems were systematically discussed, including the properties of supports, the doping of noble metals and transition metals, the role of promoters, and the influence of the geometric and electronic structures of Ni on the reaction mechanism. Furthermore, the kinetics of carbon deposition and elimination on various catalysts were analyzed. Based on the reaction rate expressions for carbon elimination, the reasons for the high activity of transition metal iron (Fe)-doped catalysts and core-shell structured catalysts in carbon elimination were explained. Based on the detailed collation and comparative analysis of the reaction mechanisms and kinetic characteristics across diverse Ni-based catalytic systems, a theoretical guidance for the designing of high-performance catalysts was provided in this work.
{"title":"Research progress on the kinetics of methane-carbon dioxide reforming catalyzed by nickel-based catalysts","authors":"Jingtao HU, Jie WU, Bangqiang DENG, Dawei LIU, Long XU","doi":"10.1016/S1872-5813(25)60609-8","DOIUrl":"10.1016/S1872-5813(25)60609-8","url":null,"abstract":"<div><div>Under the backdrop of “Carbon Peak and Carbon Neutrality” (dual carbon) goal in China, the methane-carbon dioxide reforming reaction has attracted considerable attention due to its environmental benefits of converting two greenhouse gases (methane and carbon dioxide) into syngas and its promising industrial applications. Nickel (Ni)-based catalysts, with high catalytic activity, low cost, and abundant resources, are considered ideal candidates for industrial applications. In this article, three reaction kinetic models were briefly introduced, namely the Power-Law (PL) model, the Eley-Rideal (ER) model, and the Langmuir-Hinshelwood-Hougen-Watson (LHHW) model. Based on the LHHW model, the reaction kinetics and mechanisms of different catalytic systems were systematically discussed, including the properties of supports, the doping of noble metals and transition metals, the role of promoters, and the influence of the geometric and electronic structures of Ni on the reaction mechanism. Furthermore, the kinetics of carbon deposition and elimination on various catalysts were analyzed. Based on the reaction rate expressions for carbon elimination, the reasons for the high activity of transition metal iron (Fe)-doped catalysts and core-shell structured catalysts in carbon elimination were explained. Based on the detailed collation and comparative analysis of the reaction mechanisms and kinetic characteristics across diverse Ni-based catalytic systems, a theoretical guidance for the designing of high-performance catalysts was provided in this work.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (182KB)</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 20250189"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172910","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)60602-5
Peng WANG , Changqing DONG , Junjie XUE , Qi GAO , Xiaoying HU , Junjiao ZHANG , Jie ZHAO
Oxygen carriers play a fundamental role in chemical looping combustion (CLC). Iron-based carriers have been extensively investigated owing to their abundance and environmentally friendly. However, the reactivity and separability of iron-based carriers require further enhancement. This study investigates the effect of the concentration of Mn doping on reactivity, elastic properties and magnetic properties based on density functional theory (DFT) calculations. Theoretical results demonstrate that Mn doping effectively enhances reactivity by reducing the oxygen vacancy formation energy (Evac) from 2.33 to 0.87 eV. However, Mn doping introduces lattice distortions that deteriorate elastic properties, thereby reducing wear resistance, as evidenced by a 54.54% decrease in the hardness-to-Young's modulus ratio (HV/EV) for α-Fe2O3 and an 83.33% reduction for Fe3O4. Furthermore, Mn doping also modifies magnetic properties. The maximum of saturation magnetization (Ms) of Fe3O4 reaches 121.02 emu/g at 33.33% Mn doping concentration. Finally, systematic evaluation identifies 33.33% as the optimal Mn doping concentration, achieving a balance in enhanced reactivity, superior magnetic performance, and retained elastic stability.
{"title":"Effects of Mn doping on the reactivity, elastic, and magnetic properties of α-Fe2O3 based on DFT calculation","authors":"Peng WANG , Changqing DONG , Junjie XUE , Qi GAO , Xiaoying HU , Junjiao ZHANG , Jie ZHAO","doi":"10.1016/S1872-5813(25)60602-5","DOIUrl":"10.1016/S1872-5813(25)60602-5","url":null,"abstract":"<div><div>Oxygen carriers play a fundamental role in chemical looping combustion (CLC). Iron-based carriers have been extensively investigated owing to their abundance and environmentally friendly. However, the reactivity and separability of iron-based carriers require further enhancement. This study investigates the effect of the concentration of Mn doping on reactivity, elastic properties and magnetic properties based on density functional theory (DFT) calculations. Theoretical results demonstrate that Mn doping effectively enhances reactivity by reducing the oxygen vacancy formation energy (E<sub>vac</sub>) from 2.33 to 0.87 eV. However, Mn doping introduces lattice distortions that deteriorate elastic properties, thereby reducing wear resistance, as evidenced by a 54.54% decrease in the hardness-to-Young's modulus ratio (<em>H</em><sub>V</sub>/<em>E</em><sub>V</sub>) for α-Fe<sub>2</sub>O<sub>3</sub> and an 83.33% reduction for Fe<sub>3</sub>O<sub>4</sub>. Furthermore, Mn doping also modifies magnetic properties. The maximum of saturation magnetization (<em>M</em><sub>s</sub>) of Fe<sub>3</sub>O<sub>4</sub> reaches 121.02 emu/g at 33.33% Mn doping concentration. Finally, systematic evaluation identifies 33.33% as the optimal Mn doping concentration, achieving a balance in enhanced reactivity, superior magnetic performance, and retained elastic stability.\u0000\t\t\t\t<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (92KB)</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 20250180"},"PeriodicalIF":0.0,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172829","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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