Catalysis Today最新文献

{"title":"Biodiesel production through the esterification of palm oil effluent using sulfonated MIL-101(Cr) catalyst using linkers derived from PET plastic waste","authors":"Yasin Khani ,&nbsp;Fatemeh Khani-Aghesmaeili ,&nbsp;Behzad Valizadeh ,&nbsp;Bo Sung Kang ,&nbsp;Kanghee Cho ,&nbsp;Young-Kwon Park","doi":"10.1016/j.cattod.2025.115584","DOIUrl":"10.1016/j.cattod.2025.115584","url":null,"abstract":"<div><div>Palm oil fatty acid distillate (PFAD), a byproduct of crude palm oil refining, has gained interest as a biodiesel feedstock. Concurrently, the growing accumulation of PET waste poses serious environmental challenges. In this study, sulfonated metal-organic frameworks (MOF) using linkers derived from PET waste were employed as catalysts for PFAD esterification using various alcohols. When methanol was employed as the solvent, high free fatty acid (FFA) conversions (∼100 %) were consistently observed within the temperature range of 60–120 °C. In contrast, FFA conversion increased significantly with ethanol and isopropanol at elevated temperatures, reaching 99.4 % and 99.7 % at 90 °C and 120 °C, respectively, due to enhanced molecular interactions. This enhancement is attributed to improved solvation effects and increased molecular mobility, which facilitate esterification at higher temperatures. Higher alcohol chain length negatively impacted esterification efficiency due to increased activation energy. A greater catalyst-to-feedstock (C/F) ratio also improved conversion. The sulfonic acid group (SO₃H) content in MOFs played a crucial role: the MCS30 catalyst (30 % SO₃H linker) yielded the highest FFA conversions with methanol, ethanol and isopropyl alcohol, followed by the 20 % and 10 % counterparts. This is attributed to the abundance of Brønsted acid sites facilitating proton donation during the reaction. MCS30 Catalyst also exhibited excellent reusability, with the FFA conversion dropping only slightly from 99.7 % to 95.2 % over four cycles. Overall, this approach offers a dual environmental benefit: mitigating PET plastic waste and enabling sustainable biodiesel production via PFAD esterification.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115584"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264288","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}

{"title":"Enhancing higher alcohols selectivity in CO2 hydrogenation over FeCu catalysts via Mg modification","authors":"Baojian Chen ,&nbsp;Caixia Zhu ,&nbsp;Haozhe Feng ,&nbsp;Teng Li ,&nbsp;Zhihao Liu ,&nbsp;Zhenzhou Zhang ,&nbsp;Yingluo He ,&nbsp;Noritatsu Tsubaki","doi":"10.1016/j.cattod.2025.115614","DOIUrl":"10.1016/j.cattod.2025.115614","url":null,"abstract":"<div><div>CO₂ hydrogenation to higher alcohols (C₂₊OH) over FeCu-based catalysts offers a promising route for carbon recycling. However, challenges such as low carbon utilization efficiency and limited product selectivity still exist due to the complexity of the reaction network and unclear formation mechanisms. Herein, a series of Mg-modified FeCu-based catalysts (2Na/Fe₁Cu₂Mg_x) with varying Mg content were synthesized via co-precipitation method, and their catalytic performance of CO₂ hydrogenation to C₂₊OH were investigated. The introduction of an appropriate amount of Mg significantly reduced the particle size of active metals and enhanced the metal-metal interaction between Cu and Fe species, thus further facilitated the formation of a highly dispersed Cu-χ-Fe₅C₂ interface structure. Multiple advanced characterizations have demonstrated that Cu-χ- Fe₅C₂ well-defined interface improved the adsorption capacities for both CO₂ and CO, simultaneously promoting the synergistic coupling of CHₓ and CO intermediates for the highly selective formation of C₂₊OH products. The 2Na/Fe₁Cu₂Mg₁ catalyst achieved a C₂₊OH selectivity of 25.4 % and a space-time yield (STY) of 75.1 mg·g_cat^-¹ ·h^-¹ with CO₂ conversion of 32.6 % under 320 °C, 5.0 MPa. Remarkably, the STY further rose to 110.1 mg·g_cat^-¹ ·h^-¹ when the reaction temperature increased to 380 °C, with a CO₂ conversion reaching 55.4 % and CO selectivity reduced to just 6.7 %. This study elucidates the pivotal role of Mg in modulating catalyst structure and constructing efficient active interfaces, providing a new theoretical foundation and design strategy for the rational development of highly selective catalysts for CO₂ hydrogenation to higher alcohols.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115614"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145359566","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}

{"title":"The 2nd China-Japan Symposium on Catalysis (2ndCJSC), Shanghai, China during 3–5 November, 2024","authors":"Jinlong Zhang ,&nbsp;Hiromi Yamashita","doi":"10.1016/j.cattod.2025.115592","DOIUrl":"10.1016/j.cattod.2025.115592","url":null,"abstract":"","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115592"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462537","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}

{"title":"Description of the Co9S8-MoS2 interface: Insights for explaining the cobalt promoting effect in hydrodesulfurization sulfide catalysts","authors":"Oscar A. López-Galán ,&nbsp;D. Zahir Salazar-Sánchez ,&nbsp;Brenda Torres ,&nbsp;Gilles Berhault ,&nbsp;Manuel Ramos","doi":"10.1016/j.cattod.2025.115565","DOIUrl":"10.1016/j.cattod.2025.115565","url":null,"abstract":"<div><div>Hydrodesulfurization (HDS) catalysts are still a crucial part of the refining industrial strategy to achieve clean petroleum cuts, respecting regulations in terms of sulfur amount. Even if the promoting effect of cobalt or nickel over MoS₂-based catalysts has been extensively studied for decades providing satisfactory description of the promotion, electronic by nature, through the formation of the so-called CoMoS phase, discrepancy still persist when comparing the CoMoS model with the previous description of the synergy for unsupported Co/MoS₂ systems through the so-called synergy by contact model. This review summarizes the advancements made, both experimentally and through DFT calculations, to address this discrepancy, considering the description of Co₉S₈/MoS₂ interfacial models. Different aspects will be described, including transmission electron microscopy characterization of the interface, the DFT construction of the interfacial model, and its consequences in terms of electronic structure, transition state (TS) energies for the dibenzothiophene HDS reaction, as well as the spin dependence of TS energies for various MoS₂ edge sites. Finally, potential new advancements coming from the description of Co₉S₈/MoS₂ interfacial models will be presented. This review accomplishes the pressing need for a wide-ranging and swift introduction to HDS using Co-promoted MoS₂ to guide the development of next-generation catalysts for fuel production.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115565"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264291","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}

{"title":"Mechanisms of methane oxidation over atomically dispersed transition-metals in ZSM-5: The role of CO","authors":"B. Sathya Sai Rengam,&nbsp;Jithin John Varghese","doi":"10.1016/j.cattod.2025.115656","DOIUrl":"10.1016/j.cattod.2025.115656","url":null,"abstract":"<div><div>Atomically dispersed metals within the ZSM-5 framework are promising catalysts for the liquid-phase oxidation of methane. In this work, we identified the location of Ir and Cu cations within the zeolite cage, elucidated the role of CO in forming active sites for C-H bond dissociation in methane, and the mechanism and trends in the formation of various oxygenates during methane oxidation in an aqueous medium with molecular oxygen on Ir-ZSM-5 and Cu-ZSM-5 catalysts, using detailed DFT simulations. In Ir-ZSM-5, CO remains as a spectator ligand at the Ir-O active site, responsible for the first C-H bond activation in methane, while in Cu-ZSM-5, it is a sacrificial ligand, undergoing oxidation to CO₂ to facilitate the formation of the Cu-O active site for methane dissociation. The spectator CO ligand on Ir-ZSM-5 lowers the activation barrier for methane dissociation. Methanol, which forms from a radical rebound mechanism on Ir-ZSM-5, is likely to undergo further oxidation to formic acid via a formaldehyde intermediate, making it the most likely product. On Cu-ZSM-5, although the activation barrier to form the Cu-O active site is high, the methane dissociation barrier is extremely low, facilitating methanol formation in a radical rebound mechanism. The limited availability of the active sites for subsequent oxidation and the high activation barrier to form formaldehyde are likely to restrict formic acid formation on the Cu-ZSM-5 catalyst. Atomically dispersed Cu-ZSM-5 is a promising candidate for selective methane oxidation to methanol in an aqueous medium with molecular oxygen and CO co-feed.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"465 ","pages":"Article 115656"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734678","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}

{"title":"An interpretable, data-driven framework empowered by explainable AI for fuel consumption and CO₂ emission prediction","authors":"Muhammad Sajid Farooq ,&nbsp;Muhammad Saleem ,&nbsp;Tehseen Mazhar ,&nbsp;Muhammad Almas Anjum ,&nbsp;Tariq Shahzad ,&nbsp;Muhammad Adnan Khan ,&nbsp;Habib Hamam","doi":"10.1016/j.cattod.2025.115651","DOIUrl":"10.1016/j.cattod.2025.115651","url":null,"abstract":"<div><div>The growing concern over environmental sustainability and regulatory demands necessitates a deeper understanding of fuel consumption and CO2 emissions. However, accurate prediction remains challenging because the impact of several factors can be intertwined, and the results of predictive models are not easily interpretable. Conventionally used approaches often rely on black-box or oversimplified linear models, thereby failing to capture the complex relationships embedded in high-dimensional data. These result in a noticeable lack of actionable analytical insights that may be used to guide decision-making and policymaking; hence, their use is limited to policymakers, environmental scientists, and industries. This limited interpretability significantly restricts the adoption of such models in real-world sustainability planning and emission control strategies. Explainable AI (XAI) offers a robust and transparent solution to bridge this critical gap. Unlike conventional machine learning models, which often lack transparency for end-users, XAI combines high levels of accuracy with explainability. As a result, this research proposes an enhanced interpretable, data-driven framework empowered by XAI to overcome these limitations. The framework was evaluated using a publicly available Kaggle dataset comprising 639 vehicle samples and achieved strong predictive performance with R² value of 0.9168 and RMSE of 14.93 using the Extra Trees Regressor model. To ensure transparency and insight-based interpretation, the proposed model adopts contemporary XAI approaches to explain fuel consumption and CO2 emissions at the instance level. This method supports informed decision-making by identifying key emission determinants, quantifying their relative influence, and revealing the underlying relationships between vehicular attributes and emission outcomes. Compared to previous approaches, the proposed framework demonstrates superior predictive accuracy, improved interpretability, and enhanced practical applicability, establishing it as a reliable solution for sustainable transportation management and data-driven environmental policymaking.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"465 ","pages":"Article 115651"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734679","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}

{"title":"Topology-acidity-catalytic activity interplay in hierarchical nanolayered aluminosilicate zeolites for Friedel-Crafts alkylation","authors":"Oleksiy V. Shvets ,&nbsp;Mykhailo M. Kurmach ,&nbsp;Michal Mazur ,&nbsp;Petr Golis ,&nbsp;Pavlo S. Yaremov ,&nbsp;Oleg Petrov ,&nbsp;Nataliya D. Shcherban ,&nbsp;Jiři Čejka ,&nbsp;Mariya V. Shamzhy","doi":"10.1016/j.cattod.2025.115580","DOIUrl":"10.1016/j.cattod.2025.115580","url":null,"abstract":"<div><div>Nanolayered zeolites are at the forefront of research as efficient catalysts for reactions involving bulky molecules. To date, various zeolites have been synthesized in nanolayered form <em>via</em> direct hydrothermal crystallization using Gemini-type surfactants, and their enhanced catalytic performance has been demonstrated in acid-catalyzed transformations of bulky substrates. However, the influence of zeolite topology on the strength and coordination environment of surface acid sites and its effect on catalytic behavior remains insufficiently understood. This study explores topology-acidity-activity relationships using a series of nanolayered aluminosilicate zeolites with FER, MFI, MOR, and BEA topologies in the alkylation of mesitylene with benzyl alcohol as a surface-acid-site-sensitive model reaction. <em>In situ</em> FTIR-monitored thermodesorption of substituted pyridines showed comparable surface Brønsted acid strength across the zeolites, while ²⁷Al MAS NMR spectroscopy revealed a topology-dependent increase in fraction of distorted tetrahedral Al sites: MFI (21 %) &lt; FER (30 %) &lt; MOR (57 %) &lt; BEA (64 %). Catalytic activity increased with surface-accessible Brønsted acid site concentration (mmol/g) or density (mmol/m²) in nanolayered MFI, FER, and MOR, with FER showing the highest yield (37 %) and selectivity (84 %). This trend was disrupted in BEA, which, despite the reasonably high surface Brønsted acid site concentration, showed lower activity. The findings of this study highlight the impact of topology-dependent structural features on catalytic performance of nanolayered zeolites.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115580"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145219086","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}

{"title":"Pt-V bimetallic catalysts for the catalytic reduction of chlorate ion pollutants in natural water","authors":"A. Pla-Hernández ,&nbsp;K. Góra-Marek ,&nbsp;K.A. Tarach ,&nbsp;A.E. Palomares","doi":"10.1016/j.cattod.2025.115617","DOIUrl":"10.1016/j.cattod.2025.115617","url":null,"abstract":"<div><div>Pt-V bimetallic catalysts supported on alumina are studied for the chlorate hydrogenation reaction in water phase. It is observed that there is a synergic effect between Pt and V that enhances the catalytic activity. The activity of both mono and bimetallic catalysts has been studied in polluted natural water containing other ionic species together with the chlorate ion. It is observed that the monometallic catalysts are not active in these conditions as there is a competitive adsorption of the other anions present in natural water for the Pt active sites. Contrarily, Pt-V catalysts are active in natural water being able to reduce the chlorate ions of the media in presence of other ions. The materials have been characterized by different techniques observing that the addition of vanadium to the Pt-Al₂O₃ modifies the electronic properties of the platinum sites, due to a high electronic interaction of both metals. This interaction favours the formation of partially positively charged platinum nanoclusters and strength the acidity of the catalyst surface. Infrared characterization using CO as probe molecule provided selective information about the centres participating in the reaction. It is shown that there is a correlation between the intensity of the band around 2100 cm⁻¹, assigned to the interaction CO-Pt^+δ and the initial activity of the catalysts. This indicates that partially charged Pt nanoclusters are the most active sites for the chlorate reduction. The combination of the noble and the non-noble metal and their interaction with the alumina support, improves the redox and acid properties of the catalyst enhancing its activity and making possible the reduction of chlorate pollutants in natural water.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115617"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413390","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}

{"title":"A study on Sn-doped SrFeO3-δ oxygen carriers for chemical looping oxidative dehydrogenation of ethane","authors":"Seung Hun Baek ,&nbsp;Hyang-Dong Kim ,&nbsp;Sang Jun Park ,&nbsp;Jihyeon Shin ,&nbsp;Jung Min Sohn","doi":"10.1016/j.cattod.2025.115641","DOIUrl":"10.1016/j.cattod.2025.115641","url":null,"abstract":"<div><div>This investigation explores the impact of tin (Sn) substitution on the oxygen transfer characteristics and redox selectivity of SrFeO_3-δ within the context of chemical looping oxidative dehydrogenation (CL-ODH) of ethane. The incorporation of Sn^4 + as a redox-inactive cation at the B-site contributes to the stabilization of the perovskite lattice during successive reduction–oxidation cycles and modulates the reactivity of oxygen species critical for selective oxidative dehydrogenation. In the absence of Sn doping, SrFeO_3-δ exhibits rapid oxygen release and unstable surface oxygen species, which facilitate deep oxidation reactions and structural degradation. Conversely, moderate Sn substitution, particularly at a composition of X = 0.90, enhances the utilization of lattice oxygen while mitigating the presence of excessive surface oxygen species. This adjustment leads to a reduction in CO₂ formation and an improvement in both ethylene selectivity and yield. However, excessive Sn incorporation reduces the availability of Fe-based active oxygen species and shifts the reaction mechanism toward thermal dehydrogenation. These findings indicate that precise Sn doping serves as an effective approach to modulate oxygen transfer pathways in SrFeO_3-δ, achieving a balance between structural stability and selective oxidative dehydrogenation performance. The results underscore the potential of Sn-modified perovskite materials as efficient oxygen carriers and suggest avenues for further enhancement through targeted control of oxygen species distribution.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"465 ","pages":"Article 115641"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734682","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}

{"title":"Application of hollow silica spheres with radially oriented mesopores to microreactors for two-phase reactions heated by microwave irradiation","authors":"Masaki Okamoto ,&nbsp;Hiroaki Ueda ,&nbsp;Shuntaro Tsubaki ,&nbsp;Yuji Wada","doi":"10.1016/j.cattod.2025.115595","DOIUrl":"10.1016/j.cattod.2025.115595","url":null,"abstract":"<div><div>Hollow silica spheres with radially oriented mesopores were used as microreactors for the two-phase reaction of the aldol condensation of butanal. The hollow spheres filled with 2 M sulfuric acid as a catalyst, which served as an aqueous phase, were added to the heptane solution of butanal, which served as an organic phase, and the mixture was heated at 95ºC. The reaction rate was higher than that of the emulsive two-phase reaction without the use of the hollow spheres because the droplets in the emulsion were larger than the hollow spheres. When microwave heating was used, the reaction rate increased compared with that when conventional heating was applied at the same temperature of the reaction mixture. Only the aqueous phase in the hollow spheres, where the reaction proceeded, was selectively heated by microwave irradiation because water effectively absorbs microwaves, whereas heptane cannot.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115595"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264290","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}