Pub Date : 2026-01-15DOI: 10.1016/j.jaap.2026.107618
Mingqin Xue , Yuhao Shi , Fei Ge , Yu Gu , Jianchun Jiang , Minghao Zhou
The hydrodeoxygenation of lignin-derived oxygen-containing compounds represents a pivotal step toward the sustainable production of high-value chemicals and biofuels. Herein, a series of spherical nitrogen-doped carbon-supported cobalt-based catalysts (Co-ATA-n-T) were fabricated via sequential solvothermal synthesis and carbothermal reduction under a nitrogen atmosphere, and applied to the hydrogenation of vanillin for the selective production of 2-methoxy-4-methylphenol (MMP). Under optimized reaction conditions (180 ℃, 1 MPa N2, 4 h) with isopropanol as hydrogen donor, the Co-ATA-1–800 catalyst exhibited exceptional catalytic activity: vanillin conversion reached 100 %, with a 92 % yield of 2-methoxy-4-methylphenol (MMP). Specifically, Nitrogen doping regulated the surface structure of the carbon matrix, where the doped N atoms formed strong coordination with the encapsulating Co species, thereby promoting the generation of Co0 and Co-N active sites. These active species facilitated the hydrogenolysis of the aldehyde group (-CHO) in vanillin and enhanced the weakening and cleavage of the C-O bond in the reaction intermediate. These results provide valuable guidance for the rational design of high-performance non-precious metal catalysts in the conversion of lignin derivatives.
{"title":"In situ generated Co0 and Co-N sites for efficient catalytic hydrodeoxygenation of vanillin to 4-methylguaiacol","authors":"Mingqin Xue , Yuhao Shi , Fei Ge , Yu Gu , Jianchun Jiang , Minghao Zhou","doi":"10.1016/j.jaap.2026.107618","DOIUrl":"10.1016/j.jaap.2026.107618","url":null,"abstract":"<div><div>The hydrodeoxygenation of lignin-derived oxygen-containing compounds represents a pivotal step toward the sustainable production of high-value chemicals and biofuels. Herein, a series of spherical nitrogen-doped carbon-supported cobalt-based catalysts (Co-ATA-n-T) were fabricated via sequential solvothermal synthesis and carbothermal reduction under a nitrogen atmosphere, and applied to the hydrogenation of vanillin for the selective production of 2-methoxy-4-methylphenol (MMP). Under optimized reaction conditions (180 ℃, 1 MPa N<sub>2</sub>, 4 h) with isopropanol as hydrogen donor, the Co-ATA-1–800 catalyst exhibited exceptional catalytic activity: vanillin conversion reached 100 %, with a 92 % yield of 2-methoxy-4-methylphenol (MMP). Specifically, Nitrogen doping regulated the surface structure of the carbon matrix, where the doped N atoms formed strong coordination with the encapsulating Co species, thereby promoting the generation of Co<sup>0</sup> and Co-N active sites. These active species facilitated the hydrogenolysis of the aldehyde group (-CHO) in vanillin and enhanced the weakening and cleavage of the C-O bond in the reaction intermediate. These results provide valuable guidance for the rational design of high-performance non-precious metal catalysts in the conversion of lignin derivatives.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107618"},"PeriodicalIF":6.2,"publicationDate":"2026-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.jaap.2026.107615
Jiangtao Meng , Haobo Chang , Lei Ren , Jingkuan Li , Jing Wang
Pyrolysis conversion of sewage sludge faces a technical bottleneck of NOx pollution caused by high ash content and rich protein components. Among them, the influence of CaO on nitrogen transformation during amino acid pyrolysis is significant, yet the underlying principles and mechanisms governing its effect across amino acid with different structures remain poorly understood. To address this issue, this study focused on four representative amino acids: leucine (Leu), aspartic acid (Asp), phenylalanine (Phe), and histidine (His). It systematically investigated the migration behavior of nitrogen during their pyrolysis, which was driven by the synergistic effects of temperature and CaO. The results demonstrated that CaO reconstructed the directional migration pathways of nitrogen into char, tar, and gas. This reconstruction is achieved through four key actions: complexation, alkaline deamination, hydrolysis, and CO2 mineralization. This reconstruction exhibits a decisive structural dependency: In polar amino acids (Asp, His), CaO strongly complexes with carboxyl/imidazole groups at low temperatures (255 ℃ and 350 ℃). This interaction traps nitrogen intermediates and diverts them toward stable structures in char, such as nitrile-N and CaCxNy. Consequently, the formation of gas-phase NOx precursors is suppressed. In contrast, for non-polar amino acids (Leu, Phe), CaO’s alkaline effect dominates, enhancing early deamination to release NH3 and promoting nitrogen migration via the isocyanic acid pathway, which increases nitrogen allocation to the gas phase. This study has revealed the pathway reconstruction mechanism and structural response patterns of nitrogen migration during pyrolysis under CaO influence. It further proposed design strategies for the directional regulation of nitrogen, thereby providing fundamental support and a mechanistic guide for achieving low-NOx pyrolysis and the conversion of N-rich biomass into the zero-carbon fuel, NH3.
{"title":"The structure-dependent regulation of CaO on NOx precursors during the pyrolysis of distinct amino acids","authors":"Jiangtao Meng , Haobo Chang , Lei Ren , Jingkuan Li , Jing Wang","doi":"10.1016/j.jaap.2026.107615","DOIUrl":"10.1016/j.jaap.2026.107615","url":null,"abstract":"<div><div>Pyrolysis conversion of sewage sludge faces a technical bottleneck of NOx pollution caused by high ash content and rich protein components. Among them, the influence of CaO on nitrogen transformation during amino acid pyrolysis is significant, yet the underlying principles and mechanisms governing its effect across amino acid with different structures remain poorly understood. To address this issue, this study focused on four representative amino acids: leucine (Leu), aspartic acid (Asp), phenylalanine (Phe), and histidine (His). It systematically investigated the migration behavior of nitrogen during their pyrolysis, which was driven by the synergistic effects of temperature and CaO. The results demonstrated that CaO reconstructed the directional migration pathways of nitrogen into char, tar, and gas. This reconstruction is achieved through four key actions: complexation, alkaline deamination, hydrolysis, and CO<sub>2</sub> mineralization. This reconstruction exhibits a decisive structural dependency: In polar amino acids (Asp, His), CaO strongly complexes with carboxyl/imidazole groups at low temperatures (255 ℃ and 350 ℃). This interaction traps nitrogen intermediates and diverts them toward stable structures in char, such as nitrile-N and CaCxNy. Consequently, the formation of gas-phase NOx precursors is suppressed. In contrast, for non-polar amino acids (Leu, Phe), CaO’s alkaline effect dominates, enhancing early deamination to release NH<sub>3</sub> and promoting nitrogen migration via the isocyanic acid pathway, which increases nitrogen allocation to the gas phase. This study has revealed the pathway reconstruction mechanism and structural response patterns of nitrogen migration during pyrolysis under CaO influence. It further proposed design strategies for the directional regulation of nitrogen, thereby providing fundamental support and a mechanistic guide for achieving low-NOx pyrolysis and the conversion of N-rich biomass into the zero-carbon fuel, NH<sub>3</sub>.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107615"},"PeriodicalIF":6.2,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.jaap.2026.107616
Shuailong Dong , Bo Cai , Xinyi Luo , Mengyao Chen , Hui Pan
Selective hydrogenation is an important pathway to convert biomass-derived compounds to value-added chemicals. In this study, carboxylated metal-organic frameworks UiO-66-(COOH)2 were prepared and used as a support to fabricate Ni-loaded catalyst by a simple impregnation method. The as-prepared catalyst 8Ni/UiO-66-(COOH)2 could achieve a complete conversion of furfural (FAL) with a high selective yield of tetrahydrofurfuryl alcohol (THFOL) over 97 % under mild conditions (120 °C, 2 MPa H2, 3 h). The XPS, Py-FTIR characterization showed that the introduction of a carboxyl group not only increased the acidic site of the catalyst, but also boosted the interaction between UiO-66 and metal Ni to form electron-rich Ni0 species. The catalyst poisoning test confirmed the critical role of the acid site in the hydrogenation of FAL. It is believed that the synergistic effect of metallic Ni and the carboxylated UiO-66 support contributed to the excellent catalytic activity of 8Ni/UiO-66-(COOH)2. Moreover, the specific chemical adsorption of FAL on catalyst 8Ni/UiO-66-(COOH)2 promoted the highly selective hydrogenation of FAL to THFOL. Based on the characterization and experiment results, a possible reaction pathway of the hydrogenation of FAL to THFOL over catalyst 8Ni/UiO-66-(COOH)2 is proposed.
{"title":"Carboxylated UiO-66 metal-organic framework-supported nickel catalyst for hydrogenation of furfural to tetrahydrofurfuryl alcohol under mild conditions","authors":"Shuailong Dong , Bo Cai , Xinyi Luo , Mengyao Chen , Hui Pan","doi":"10.1016/j.jaap.2026.107616","DOIUrl":"10.1016/j.jaap.2026.107616","url":null,"abstract":"<div><div>Selective hydrogenation is an important pathway to convert biomass-derived compounds to value-added chemicals. In this study, carboxylated metal-organic frameworks UiO-66-(COOH)<sub>2</sub> were prepared and used as a support to fabricate Ni-loaded catalyst by a simple impregnation method. The as-prepared catalyst 8Ni/UiO-66-(COOH)<sub>2</sub> could achieve a complete conversion of furfural (FAL) with a high selective yield of tetrahydrofurfuryl alcohol (THFOL) over 97 % under mild conditions (120 °C, 2 MPa H<sub>2</sub>, 3 h). The XPS, Py-FTIR characterization showed that the introduction of a carboxyl group not only increased the acidic site of the catalyst, but also boosted the interaction between UiO-66 and metal Ni to form electron-rich Ni<sup>0</sup> species. The catalyst poisoning test confirmed the critical role of the acid site in the hydrogenation of FAL. It is believed that the synergistic effect of metallic Ni and the carboxylated UiO-66 support contributed to the excellent catalytic activity of 8Ni/UiO-66-(COOH)<sub>2</sub>. Moreover, the specific chemical adsorption of FAL on catalyst 8Ni/UiO-66-(COOH)<sub>2</sub> promoted the highly selective hydrogenation of FAL to THFOL. Based on the characterization and experiment results, a possible reaction pathway of the hydrogenation of FAL to THFOL over catalyst 8Ni/UiO-66-(COOH)<sub>2</sub> is proposed.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107616"},"PeriodicalIF":6.2,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.jaap.2026.107610
Shiyuan Yan , Wenhao Shen , Jin Jiang , Yanrong Lu , Quan Zhu , Xiang-Yuan Li
The existing pyrolysis kinetic model is hard to meet the accuracy and size requirements for industrial numerical simulation of hydrocarbon fuel cooling channels. Based on the minimum reaction network method, a kinetic model of n-decane pyrolysis with 27 species and 36 reactions is established and applied to the three-dimensional numerical simulations of pyrolysis fuel cooling channel. Experimental validation shows that the outlet temperature deviation between simulated and experimental values is less than 5 °C under supercritical pressure conditions. Because this model couples the reaction equilibrium constant model and the thermophysical properties model of real gas. Numerical simulation shows that there is a heat transfer deterioration region near the inlet of cooling channel, which is mainly caused by the sudden change of thermophysical properties and flow behavior. And the heat transfer deterioration can be effectively eliminated by adding annular micro-rib structures. The pyrolysis reaction of n-decane mainly absorbs heat through the C-C bond breaking. Increasing the yield of ethylene and propylene is expected to further improve the endothermic ability of pyrolysis.
{"title":"Numerical simulation study on heat transfer and pyrolysis characteristics of hydrocarbon fuel in regenerative cooling channels","authors":"Shiyuan Yan , Wenhao Shen , Jin Jiang , Yanrong Lu , Quan Zhu , Xiang-Yuan Li","doi":"10.1016/j.jaap.2026.107610","DOIUrl":"10.1016/j.jaap.2026.107610","url":null,"abstract":"<div><div>The existing pyrolysis kinetic model is hard to meet the accuracy and size requirements for industrial numerical simulation of hydrocarbon fuel cooling channels. Based on the minimum reaction network method, a kinetic model of n-decane pyrolysis with 27 species and 36 reactions is established and applied to the three-dimensional numerical simulations of pyrolysis fuel cooling channel. Experimental validation shows that the outlet temperature deviation between simulated and experimental values is less than 5 °C under supercritical pressure conditions. Because this model couples the reaction equilibrium constant model and the thermophysical properties model of real gas. Numerical simulation shows that there is a heat transfer deterioration region near the inlet of cooling channel, which is mainly caused by the sudden change of thermophysical properties and flow behavior. And the heat transfer deterioration can be effectively eliminated by adding annular micro-rib structures. The pyrolysis reaction of n-decane mainly absorbs heat through the C-C bond breaking. Increasing the yield of ethylene and propylene is expected to further improve the endothermic ability of pyrolysis.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107610"},"PeriodicalIF":6.2,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146024792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-14DOI: 10.1016/j.jaap.2026.107617
Bohao Li , Guangyao Wang , Tong Su , Ronglong Guo , Chunxiao Gao , Jinhong Zhang , Yuanyu Tian
High-temperature fast catalytic pyrolysis is an efficient method for converting heavy oils into light olefins and BTX. In this study, the process was applied to two atmospheric residues: the paraffinic based DQ-AR and the intermediate based NP-AR. Each residue was fractionated into eight group fractions and analyzed using Py-GC-MS/FID. Average molecular structural parameters were calculated using the modified Brown-Ladner method, and their correlations with product distributions were evaluated via Spearman correlation analysis. The optimal catalyst composition (70 wt% ZSM-5 and 30 wt% CaAl) achieved the highest light olefin yield. Among the fractions, saturates and light aromatics exhibited the highest olefin selectivity, whereas asphaltenes exhibited the lowest. DQ-AR, characterized by a higher paraffinic carbon fraction (fP), longer average length of aliphatic chains (L), and a higher hydrogen-to-carbon ratio (NH/NC), demonstrated superior selectivity toward olefins and BTX. In contrast, NP-AR, with greater aromatic and naphthenic ring number (RA, RN) and a higher condensation degree of aromatic rings (HAU/CA), favored aromatization and coke formation. By integrating average structural parameters with product selectivities, structure-selectivity heatmaps were constructed across various catalytic systems. This enabled the establishment of a quantitative structure-reactivity framework that provides molecular-level insights into the catalytic upgrading of heavy oils.
{"title":"Fast pyrolysis behavior of paraffinic and intermediate based residues over acid-base composite catalysts at the molecular level","authors":"Bohao Li , Guangyao Wang , Tong Su , Ronglong Guo , Chunxiao Gao , Jinhong Zhang , Yuanyu Tian","doi":"10.1016/j.jaap.2026.107617","DOIUrl":"10.1016/j.jaap.2026.107617","url":null,"abstract":"<div><div>High-temperature fast catalytic pyrolysis is an efficient method for converting heavy oils into light olefins and BTX. In this study, the process was applied to two atmospheric residues: the paraffinic based DQ-AR and the intermediate based NP-AR. Each residue was fractionated into eight group fractions and analyzed using Py-GC-MS/FID. Average molecular structural parameters were calculated using the modified Brown-Ladner method, and their correlations with product distributions were evaluated via Spearman correlation analysis. The optimal catalyst composition (70 wt% ZSM-5 and 30 wt% CaAl) achieved the highest light olefin yield. Among the fractions, saturates and light aromatics exhibited the highest olefin selectivity, whereas asphaltenes exhibited the lowest. DQ-AR, characterized by a higher paraffinic carbon fraction (<em>f</em><sub><em>P</em></sub>), longer average length of aliphatic chains (<em>L</em>), and a higher hydrogen-to-carbon ratio (<em>N</em><sub><em>H</em></sub><em>/N</em><sub><em>C</em></sub>), demonstrated superior selectivity toward olefins and BTX. In contrast, NP-AR, with greater aromatic and naphthenic ring number (<em>R</em><sub><em>A</em></sub>, <em>R</em><sub><em>N</em></sub>) and a higher condensation degree of aromatic rings (<em>H</em><sub><em>AU</em></sub><em>/C</em><sub><em>A</em></sub>), favored aromatization and coke formation. By integrating average structural parameters with product selectivities, structure-selectivity heatmaps were constructed across various catalytic systems. This enabled the establishment of a quantitative structure-reactivity framework that provides molecular-level insights into the catalytic upgrading of heavy oils.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107617"},"PeriodicalIF":6.2,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-13DOI: 10.1016/j.jaap.2026.107613
Arian Shabruhi Mishamandani , Faisal Asfand , Muhammad Usman Saeed Akhtar , Sulaiman O. Fadlallah , M. Imran Khan , John M. Allport , Grant M. Campbell , Jose Maria Sanchez-Hervas
Achieving a sustainable energy future requires efficient renewable conversion pathways, with biomass emerging as a promising alternative. Microwave-assisted pyrolysis (MAP) has attracted growing interest due to its high energy efficiency and product yields, yet its complex interplay of electromagnetic, thermal, and chemical processes demands advanced modelling for reliable design and optimisation. Despite the use of diverse software tools to study MAP, systematic evaluations of their capabilities remain scarce. This review critically assesses major modelling platforms used in MAP research, including process simulators (e.g., Aspen Plus, Aspen HYSYS), Computational fluid dynamics (CFD)-based solvers (e.g., COMSOL Multiphysics, ANSYS CFX, OpenFOAM), and statistical or machine learning environments (e.g., MATLAB, Design Expert). Their applications are compared in terms of feedstock dependence, operating conditions, and modelling features. Process simulators are particularly effective for flowsheet analysis and techno-economic studies, while CFD tools capture transport phenomena and reactor-scale behaviour with high resolution. Data-driven platforms complement these approaches by enabling optimisation and predictive analytics. Given the complexity of MAP, a modular modelling strategy is recommended, treating stages such as drying, heating, and pyrolysis independently with tailored methods. By consolidating existing knowledge and identifying gaps, this review provides a practical guide for researchers and engineers to select and integrate the most suitable numerical approaches for advancing MAP system development.
{"title":"Advances in multiphysics modelling and scale-up pathways for microwave-assisted pyrolysis in bioenergy applications","authors":"Arian Shabruhi Mishamandani , Faisal Asfand , Muhammad Usman Saeed Akhtar , Sulaiman O. Fadlallah , M. Imran Khan , John M. Allport , Grant M. Campbell , Jose Maria Sanchez-Hervas","doi":"10.1016/j.jaap.2026.107613","DOIUrl":"10.1016/j.jaap.2026.107613","url":null,"abstract":"<div><div>Achieving a sustainable energy future requires efficient renewable conversion pathways, with biomass emerging as a promising alternative. Microwave-assisted pyrolysis (MAP) has attracted growing interest due to its high energy efficiency and product yields, yet its complex interplay of electromagnetic, thermal, and chemical processes demands advanced modelling for reliable design and optimisation. Despite the use of diverse software tools to study MAP, systematic evaluations of their capabilities remain scarce. This review critically assesses major modelling platforms used in MAP research, including process simulators (e.g., Aspen Plus, Aspen HYSYS), Computational fluid dynamics (CFD)-based solvers (e.g., COMSOL Multiphysics, ANSYS CFX, OpenFOAM), and statistical or machine learning environments (e.g., MATLAB, Design Expert). Their applications are compared in terms of feedstock dependence, operating conditions, and modelling features. Process simulators are particularly effective for flowsheet analysis and techno-economic studies, while CFD tools capture transport phenomena and reactor-scale behaviour with high resolution. Data-driven platforms complement these approaches by enabling optimisation and predictive analytics. Given the complexity of MAP, a modular modelling strategy is recommended, treating stages such as drying, heating, and pyrolysis independently with tailored methods. By consolidating existing knowledge and identifying gaps, this review provides a practical guide for researchers and engineers to select and integrate the most suitable numerical approaches for advancing MAP system development.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107613"},"PeriodicalIF":6.2,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146024337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The catalytic upgrading of heavy oil via hydrothermal cracking is often constrained by the lack of efficient and robust catalysts capable of breaking down complex macromolecular structures. In this work, CeO2 nanoparticles were synthesized by a hydrothermal method, and a CeO2-carbon nanotube composite catalyst (CeO2-C) was obtained by directly growing carbon nanotubes (CNTs) on CeO2 using chemical vapor deposition (CVD) for the first time. The optimal conditions for CNT growth were systematically explored and the epitaxial growth mechanism of CNTs on CeO2 was revealed. The structure, morphology, and catalytic properties of these CeO2-based catalysts were comprehensively characterized. The CeO2-C catalyst exhibited outstanding activity in the hydrothermal cracking of heavy oil, achieving a viscosity reduction of 72.0 % at 240 °C for 24 h, which was further enhanced to 86.3 % in the presence of the hydrogen donor tetralin. Detailed compositional analyses revealed a significant shift toward lighter oil fractions and effective removal of nitrogen and sulfur heteroatoms. Catalyst characterization indicated that CNT incorporation improved CeO2 dispersion and stability, and importantly, promoted dynamic regeneration of surface Ce3 + and oxygen vacancies during reaction, providing abundant active sites for hydrogenation, ring opening, desulfurization, and denitrogenation. This study demonstrates that interfacial engineering of CeO2-CNT composites offers a promising strategy for developing high-performance catalysts for heavy oil upgrading.
{"title":"Interfacial engineering of CeO2-carbon nanotube composites via chemical vapor deposition for enhanced catalytic aquathermolysis of heavy oil","authors":"Jiaxi Lu, Hong Wang, Xiaodong Tang, Jingjing Li, Wenke Fan, Dayong Qing","doi":"10.1016/j.jaap.2026.107614","DOIUrl":"10.1016/j.jaap.2026.107614","url":null,"abstract":"<div><div>The catalytic upgrading of heavy oil via hydrothermal cracking is often constrained by the lack of efficient and robust catalysts capable of breaking down complex macromolecular structures. In this work, CeO<sub>2</sub> nanoparticles were synthesized by a hydrothermal method, and a CeO<sub>2</sub>-carbon nanotube composite catalyst (CeO<sub>2</sub>-C) was obtained by directly growing carbon nanotubes (CNTs) on CeO<sub>2</sub> using chemical vapor deposition (CVD) for the first time. The optimal conditions for CNT growth were systematically explored and the epitaxial growth mechanism of CNTs on CeO<sub>2</sub> was revealed. The structure, morphology, and catalytic properties of these CeO<sub>2</sub>-based catalysts were comprehensively characterized. The CeO<sub>2</sub>-C catalyst exhibited outstanding activity in the hydrothermal cracking of heavy oil, achieving a viscosity reduction of 72.0 % at 240 °C for 24 h, which was further enhanced to 86.3 % in the presence of the hydrogen donor tetralin. Detailed compositional analyses revealed a significant shift toward lighter oil fractions and effective removal of nitrogen and sulfur heteroatoms. Catalyst characterization indicated that CNT incorporation improved CeO<sub>2</sub> dispersion and stability, and importantly, promoted dynamic regeneration of surface Ce<sup>3 +</sup> and oxygen vacancies during reaction, providing abundant active sites for hydrogenation, ring opening, desulfurization, and denitrogenation. This study demonstrates that interfacial engineering of CeO<sub>2</sub>-CNT composites offers a promising strategy for developing high-performance catalysts for heavy oil upgrading.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107614"},"PeriodicalIF":6.2,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146024351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-13DOI: 10.1016/j.jaap.2026.107612
Ziwen Gu , Huafeng Quan , Dong Huang , Xiang Chen , Hua Liu , Kui Shi , Zhen Fan , Jinshui Liu , Chong Ye
Polymer-derived SiCN ceramics (PDCs-SiCN) have emerged as promising high-temperature microwave-absorbing materials due to their excellent high-temperature resistance and tunable dielectric properties. A fundamental understanding of the correlations among pyrolysis processes, compositional/structural evolution, and dielectric properties is essential for precise regulation of their microwave absorption performance. This study investigates the pyrolysis behavior of polysilazane and employs controlled annealing treatments to modulate the crystallization state and compositional structure of PDCs-SiCN. The results indicate that the formation of the Si-C-N network during pyrolysis stems from the generation and cross-linking of Si4C and SiN4 macromolecules, whereas the polymerization and growth of carbon-containing side chains form the free carbon phase. The separation and crystallization of these two phases at high temperatures significantly affect the dielectric properties. The abundant heterogeneous interfaces in SiCN1500–1400 notably enhance interfacial polarization, yielding remarkable microwave absorption with a minimum reflection loss (RLmin) of −54.25 dB in the mid-frequency range, and maintaining good absorption properties after 30 min of high-temperature oxidation at 1000°C. In contrast, SiCN1500–1500, characterized by substantial SiC content, enhances dipole polarization, exhibiting excellent high-frequency microwave absorption with an RLmin of −20.27 dB. This work broadens the technical foundation for developing lightweight, high-temperature, wideband microwave absorbing components in high-speed aerospace vehicles.
{"title":"Temperature-dependent composition and microstructure evolution of SiCN ceramics for enhanced microwave absorption","authors":"Ziwen Gu , Huafeng Quan , Dong Huang , Xiang Chen , Hua Liu , Kui Shi , Zhen Fan , Jinshui Liu , Chong Ye","doi":"10.1016/j.jaap.2026.107612","DOIUrl":"10.1016/j.jaap.2026.107612","url":null,"abstract":"<div><div>Polymer-derived SiCN ceramics (PDCs-SiCN) have emerged as promising high-temperature microwave-absorbing materials due to their excellent high-temperature resistance and tunable dielectric properties. A fundamental understanding of the correlations among pyrolysis processes, compositional/structural evolution, and dielectric properties is essential for precise regulation of their microwave absorption performance. This study investigates the pyrolysis behavior of polysilazane and employs controlled annealing treatments to modulate the crystallization state and compositional structure of PDCs-SiCN. The results indicate that the formation of the Si-C-N network during pyrolysis stems from the generation and cross-linking of Si<sub>4</sub>C and SiN<sub>4</sub> macromolecules, whereas the polymerization and growth of carbon-containing side chains form the free carbon phase. The separation and crystallization of these two phases at high temperatures significantly affect the dielectric properties. The abundant heterogeneous interfaces in SiCN<sub>1500–1400</sub> notably enhance interfacial polarization, yielding remarkable microwave absorption with a minimum reflection loss (RL<sub>min</sub>) of −54.25 dB in the mid-frequency range, and maintaining good absorption properties after 30 min of high-temperature oxidation at 1000°C. In contrast, SiCN<sub>1500–1500</sub>, characterized by substantial SiC content, enhances dipole polarization, exhibiting excellent high-frequency microwave absorption with an RL<sub>min</sub> of −20.27 dB. This work broadens the technical foundation for developing lightweight, high-temperature, wideband microwave absorbing components in high-speed aerospace vehicles.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107612"},"PeriodicalIF":6.2,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-12DOI: 10.1016/j.jaap.2026.107611
Ji Yang , Qian Gao , Qianxu Yang , Hui Jiang , Wei Zhang , Shiyun Tang , Ze Liu , Aiming Chen , Zhongda Zeng
The replacement of tobacco raw materials and the maintenance of blending formulations constitute a critical process in the continuous optimization of cigarette products and the development of new products. Addressing the limitations of traditional replacement strategies to heavily rely on empirical experience and lack quantifiable rules, a multimodal, data-driven approach was proposed to integrate thermogravimetric analysis (TGA) data, near-infrared (NIR) spectral information, and encoded fingerprinting features. The approach systematically uncovers structural patterns in tobacco leaf replacement and constructs an intelligent recommendation model. Initially, a large-scale replacement database comprising 5775 historical replacement records was established, from which 390 typical replacement samples with both TGA and NIR data were extracted. On this basis, multi-level attribute variation scenarios were designed, and feature selection and similarity calculations were respectively conducted on TGA, NIR, and their fused data. The methodology incorporates strong or weak correlation point extraction, forced inclusion of key features, and a fusion strategy of TGA and NIR data using orthogonal projection, which significantly enhance inter-dimensional information complementarity and feature representation. Simultaneously, an attribute encoding matrix was constructed to systematically encode the year, origin, cultivar, part, and grade of tobacco leaves. Coupled with historical variation frequencies, an attribute variation scoring model was developed to assist in evaluating the rationality of replacement schemes. Model evaluation was conducted using 33 sets of actual validation samples. The results demonstrate that the proposed method substantially outperforms single-data-source strategies in top-3 recommendation accuracy, which achieves a maximum accuracy of 85 %, and maintains robust performance even in scenarios involving extensive attribute changes. The proposed work provides a scientific, quantifiable, and verifiable intelligent recommendation approach for tobacco blending replacement, and offers both theoretical foundations and technical support for the rapid development of new product formulations and the efficient maintenance of historical blends.
{"title":"Data-driven discovery of tobacco leaf blending rules for new replacement through integration of thermogravimetric, near-infrared, and attribute-encoded fingerprinting data","authors":"Ji Yang , Qian Gao , Qianxu Yang , Hui Jiang , Wei Zhang , Shiyun Tang , Ze Liu , Aiming Chen , Zhongda Zeng","doi":"10.1016/j.jaap.2026.107611","DOIUrl":"10.1016/j.jaap.2026.107611","url":null,"abstract":"<div><div>The replacement of tobacco raw materials and the maintenance of blending formulations constitute a critical process in the continuous optimization of cigarette products and the development of new products. Addressing the limitations of traditional replacement strategies to heavily rely on empirical experience and lack quantifiable rules, a multimodal, data-driven approach was proposed to integrate thermogravimetric analysis (TGA) data, near-infrared (NIR) spectral information, and encoded fingerprinting features. The approach systematically uncovers structural patterns in tobacco leaf replacement and constructs an intelligent recommendation model. Initially, a large-scale replacement database comprising 5775 historical replacement records was established, from which 390 typical replacement samples with both TGA and NIR data were extracted. On this basis, multi-level attribute variation scenarios were designed, and feature selection and similarity calculations were respectively conducted on TGA, NIR, and their fused data. The methodology incorporates strong or weak correlation point extraction, forced inclusion of key features, and a fusion strategy of TGA and NIR data using orthogonal projection, which significantly enhance inter-dimensional information complementarity and feature representation. Simultaneously, an attribute encoding matrix was constructed to systematically encode the year, origin, cultivar, part, and grade of tobacco leaves. Coupled with historical variation frequencies, an attribute variation scoring model was developed to assist in evaluating the rationality of replacement schemes. Model evaluation was conducted using 33 sets of actual validation samples. The results demonstrate that the proposed method substantially outperforms single-data-source strategies in top-3 recommendation accuracy, which achieves a maximum accuracy of 85 %, and maintains robust performance even in scenarios involving extensive attribute changes. The proposed work provides a scientific, quantifiable, and verifiable intelligent recommendation approach for tobacco blending replacement, and offers both theoretical foundations and technical support for the rapid development of new product formulations and the efficient maintenance of historical blends.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107611"},"PeriodicalIF":6.2,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-12DOI: 10.1016/j.jaap.2026.107609
Syazmi Zul Arif Hakimi Saadon , Nurul Hidayah Abdullah , David Onoja Patrick , Tuan Muhammad Isma Hafizzuddin Bin Tuan Ismail , Noridah Binti Osman
Oxidative thermochemical processes, such as oxidative torrefaction and oxidative pyrolysis, differ from conventional inert processes by incorporating oxygen, which enhances reaction rates, reduces processing times, and modifies product composition. This presence of oxygen allows for higher energy efficiency and the production of bio-products with unique chemical characteristics, making these processes appealing for renewable energy and sustainable material applications. Oxidative torrefaction and pyrolysis have thus emerged as promising biomass conversion technologies, producing valuable biochar, bio-oil, and syngas with enhanced energy density and stability. However, they also present challenges, such as the need for precise oxygen control to prevent excessive combustion, and issues related to by-product management that may impact product quality and environmental sustainability. This review examines the mechanistic pathways of oxidative thermochemical reactions, distinguishing the endothermic and exothermic steps, and highlights yields from oxidative and inert conditions, including the biochar, bio-oil, and syngas. By synthesizing findings across the biomass feedstocks, the paper also compares kinetic modelling approaches with reported activation energy and pre-exponential factors. Additionally, the challenges and opportunities inherent in both oxidative torrefaction and oxidative pyrolysis are assessed, providing a nuanced understanding of the current state and future potential of these technologies. Despite the promise of oxidative pyrolysis and torrefaction, challenges persist. This review critically synthesizes parametric studies on oxidative torrefaction and oxidative pyrolysis, highlighting inconsistencies, governing parameters, and unresolved challenges affecting product yields, properties, and reaction mechanisms. The aim is to serve as a pivotal resource for researchers and industry professionals seeking to harness these transformative processes for sustainable biomass utilization, ultimately contributing to the advancement of renewable energy and carbon management strategies. With a detailed exploration of existing research and emerging trends, the review offers comprehensive insights into the future directions for both energy and carbon management fields.
{"title":"A review on oxidative pyrolysis and oxidative torrefaction: Mechanisms, products, kinetics and future directions","authors":"Syazmi Zul Arif Hakimi Saadon , Nurul Hidayah Abdullah , David Onoja Patrick , Tuan Muhammad Isma Hafizzuddin Bin Tuan Ismail , Noridah Binti Osman","doi":"10.1016/j.jaap.2026.107609","DOIUrl":"10.1016/j.jaap.2026.107609","url":null,"abstract":"<div><div>Oxidative thermochemical processes, such as oxidative torrefaction and oxidative pyrolysis, differ from conventional inert processes by incorporating oxygen, which enhances reaction rates, reduces processing times, and modifies product composition. This presence of oxygen allows for higher energy efficiency and the production of bio-products with unique chemical characteristics, making these processes appealing for renewable energy and sustainable material applications. Oxidative torrefaction and pyrolysis have thus emerged as promising biomass conversion technologies, producing valuable biochar, bio-oil, and syngas with enhanced energy density and stability. However, they also present challenges, such as the need for precise oxygen control to prevent excessive combustion, and issues related to by-product management that may impact product quality and environmental sustainability. This review examines the mechanistic pathways of oxidative thermochemical reactions, distinguishing the endothermic and exothermic steps, and highlights yields from oxidative and inert conditions, including the biochar, bio-oil, and syngas. By synthesizing findings across the biomass feedstocks, the paper also compares kinetic modelling approaches with reported activation energy and pre-exponential factors. Additionally, the challenges and opportunities inherent in both oxidative torrefaction and oxidative pyrolysis are assessed, providing a nuanced understanding of the current state and future potential of these technologies. Despite the promise of oxidative pyrolysis and torrefaction, challenges persist. This review critically synthesizes parametric studies on oxidative torrefaction and oxidative pyrolysis, highlighting inconsistencies, governing parameters, and unresolved challenges affecting product yields, properties, and reaction mechanisms. The aim is to serve as a pivotal resource for researchers and industry professionals seeking to harness these transformative processes for sustainable biomass utilization, ultimately contributing to the advancement of renewable energy and carbon management strategies. With a detailed exploration of existing research and emerging trends, the review offers comprehensive insights into the future directions for both energy and carbon management fields.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"195 ","pages":"Article 107609"},"PeriodicalIF":6.2,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146024794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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