Catalysis Today最新文献_第7页

Hierarchical regression approach for enhanced performance prediction of ammonia decomposition catalysts 氨分解催化剂强化性能预测的层次回归方法

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-14 DOI: 10.1016/j.cattod.2025.115608

Jisu Park , Jaeseok An , Sujin Kim, Yongju Yun

{"title":"Hierarchical regression approach for enhanced performance prediction of ammonia decomposition catalysts","authors":"Jisu Park , Jaeseok An , Sujin Kim, Yongju Yun","doi":"10.1016/j.cattod.2025.115608","DOIUrl":"10.1016/j.cattod.2025.115608","url":null,"abstract":"<div><div>Enhancing the accuracy of predictive models for catalytic performance is critical for effectively leveraging accumulated data and optimizing catalysts and operating conditions. This study evaluates the potential of hierarchical regression models in predicting the hydrogen formation rate during ammonia decomposition at elevated reaction temperatures. Using a literature database, we trained sequential, random, and inverse hierarchical regression models, alongside non-hierarchical models, on data collected at lower temperatures. A comparison of predictive accuracies revealed that the sequential hierarchical models, organized by increasing temperature, provided the highest accuracy. This finding illustrates the model’s capability to capture the nonlinear relationship between reaction temperature and catalytic performance. In contrast, both random and inverse hierarchical models performed worse than non-hierarchical models, highlighting the importance of subset training order on hierarchical model performance. Examining the effects of subset configuration, hierarchy level, and algorithm type on the predictive accuracy of sequential hierarchical models for ammonia decomposition provides insight into the optimized design of these models. The successful application of hierarchical regression models in the prediction of catalytic performance demonstrates their advantages in capturing the complexity inherent in the heterogeneous catalysis database. Ultimately, the hierarchical model shows strong potential for robust and generalizable predictions under various reaction temperatures in ammonia decomposition, extending beyond the original training domain.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115608"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145322097","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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Green hydrogen and oxygen production over IrO2/Pt/TiO2 via photocatalytic overall water splitting under visible light illumination 可见光照射下，IrO2/Pt/TiO2光催化整体水分解制备绿色氢氧

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-31 DOI: 10.1016/j.cattod.2025.115621

Laxmi Prasad Rao Pala , Nageswara Rao Peela

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Catalyzing reunions and chemical transformations: Selected works of the 22nd Brazilian Congress on Catalysis 催化团聚和化学转化：第22届巴西催化大会精选作品

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-06 DOI: 10.1016/j.cattod.2025.115582

Katia Bernardo-Gusmão , José R. Gregório , Sibele B.C. Pergher

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Strategies to enhance the (C9-C16) range sustainable aviation fuel selectivity in Fischer-Tropsch synthesis Fischer-Tropsch合成中提高（C9-C16）范围可持续航空燃料选择性的策略

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-10 DOI: 10.1016/j.cattod.2025.115606

Ahmad Mukhtar, Ekow Agyekum-Oduro, Sidra Saqib, Sarah Wu

{"title":"Strategies to enhance the (C9-C16) range sustainable aviation fuel selectivity in Fischer-Tropsch synthesis","authors":"Ahmad Mukhtar, Ekow Agyekum-Oduro, Sidra Saqib, Sarah Wu","doi":"10.1016/j.cattod.2025.115606","DOIUrl":"10.1016/j.cattod.2025.115606","url":null,"abstract":"<div><div>Fischer-Tropsch synthesis (FTS) is a promising route for producing sustainable aviation fuel (SAF) by converting syngas derived from renewable sources into hydrocarbons within the jet fuel range (C<sub>9</sub>-C<sub>16</sub>). However, controlling product selectivity remains challenging due to the conventional Anderson-Schulz-Flory (ASF) distribution, which favors a broad hydrocarbon distribution. This review critically examines various experimentally demonstrated strategies to enhance and narrow the SAF selectivity in FTS. Key approaches include adjusting catalyst redox characteristics, modifying the reduction environment, optimizing metal-support interactions, shifting reaction equilibrium, and incorporating suitable promoters. Furthermore, syngas feed dilution with CO<sub>2</sub> have been explored as additional means to suppress methane formation and maximize mid-distillate production. These strategies and machine learning collectively contribute to overcoming ASF limitations, enabling a more targeted synthesis of jet fuel-range hydrocarbons while improving overall process efficiency. By refining these approaches, FTS can be further optimized to support the transition toward cleaner and more sustainable aviation fuels.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115606"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264287","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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C1 chemistry and catalysis: Current advances and future perspectives C1化学与催化：当前进展与未来展望

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-01 DOI: 10.1016/j.cattod.2025.115583

Andrei Y. Khodakov , Vitaly V. Ordomsky , Xiulian Pan

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Hierarchical zeolites for dimethyl ether dehydration into light olefins 分级沸石用于二甲醚脱水成轻烯烃

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-27 DOI: 10.1016/j.cattod.2025.115618

Fabio Salomone , Giorgia Ferrarelli , Emanuele Giglio , Elena Corrao , Massimo Migliori , Samir Bensaid , Raffaele Pirone , Girolamo Giordano

{"title":"Hierarchical zeolites for dimethyl ether dehydration into light olefins","authors":"Fabio Salomone , Giorgia Ferrarelli , Emanuele Giglio , Elena Corrao , Massimo Migliori , Samir Bensaid , Raffaele Pirone , Girolamo Giordano","doi":"10.1016/j.cattod.2025.115618","DOIUrl":"10.1016/j.cattod.2025.115618","url":null,"abstract":"<div><div>Dimethyl ether (DME) conversion into light olefins (DTO) is a process that can lead to the sustainable production of molecules like ethylene, propylene, and butenes, which are key building blocks in the chemical industry. Acid catalysts involved in the conversion of methanol and DME into hydrocarbons (MTO and DTO) are usually affected by fast deactivation due to coke generation. In the present study, four hierarchical zeolites were synthesized with different Si/Al ratios according to two procedures: a post-treatment (named “etching”) of a HZSM-5 microporous zeolite with a solution of ammonium fluoride and hydrofluoric acid, and a one-pot bottom-down approach involving an organosilane to induce mesoporosity during the hydrothermal synthesis. The samples were characterized from a physico-chemical standpoint to assess crystallinity, textural properties, and acidity. All the synthesized zeolites were then tested for about 14 h in the DTO process at a temperature range of 300–375 °C. Results showed that hierarchical zeolites with mild acidity have a very good stability, even when they are tested at the highest temperature, at which conventional microporous samples deactivate quickly. Conversion of 80–90 % is achieved at 375 °C and a space velocity of 1 g<sub>cat</sub>∙h∙mol<sub>C</sub><sup>−1</sup>, with propylene as the most abundant product. Samples prepared via one-pot synthesis resulted in a greater propylene-to-ethylene ratio, partly due to shape selectivity related to the pore size distribution.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115618"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413385","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}

引用次数: 0

Mechanism of synthesizing hexaniobate cluster by microwave-assisted hydrothermal reaction 微波辅助水热反应合成己酸酯簇的机理

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-07 DOI: 10.1016/j.cattod.2025.115593

Nattamon Panichakul , Hiroki Nagakari , Soichi Kikkawa , Shuntaro Tsubaki , Kotaro Higashi , Tomoya Uruga , Hideyuki Kawasoko , Seiji Yamazoe

引用次数: 0

Synergistic silver-decorated g-C3N4/NiAl-LDH nanostructures for sustainable hydrogen evolution under visible light 协同镀银g-C3N4/NiAl-LDH纳米结构在可见光下可持续析氢

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.cattod.2025.115654

Kamran Alam , Khurram Imran Khan , Abdul Wahab , Marco Stoller , Abdul Hai

{"title":"Synergistic silver-decorated g-C3N4/NiAl-LDH nanostructures for sustainable hydrogen evolution under visible light","authors":"Kamran Alam , Khurram Imran Khan , Abdul Wahab , Marco Stoller , Abdul Hai","doi":"10.1016/j.cattod.2025.115654","DOIUrl":"10.1016/j.cattod.2025.115654","url":null,"abstract":"<div><div>Photocatalytic hydrogen (H<sub>2</sub>) generation has garnered significant interest due to its potential as a clean and renewable energy source. However, identifying semiconductor materials that provide maximum photocatalytic efficiency remains a fundamental obstacle. This study demonstrates the development of Ag@g-C<sub>3</sub>N<sub>4</sub>/NiAl-LDH nanocomposites through a combination of hydrothermal and photodeposition methods, resulting in a novel material. The as-developed Ag@g-C<sub>3</sub>N<sub>4</sub>/NiAl-LDH photocatalyst achieved superior H<sub>2</sub> evolution performance under visible light illumination through the production of 2650 µmol h<sup>−1</sup>g<sup>−1</sup> hydrogen output, surpassing the performance of NiAl-LDH (35 µmol h<sup>−1</sup>g<sup>−1</sup>), pure g-C<sub>3</sub>N<sub>4</sub> (15 µmol h<sup>−1</sup>g<sup>−1</sup>) and g-C<sub>3</sub>N<sub>4</sub>/LDH binary composites (1650 µmol h<sup>−1</sup>g<sup>−1</sup>). The successful photodeposition of Ag was validated by comprehensive physicochemical characterizations, demonstrating concomitant enhancements in structural, morphological, and electronic attributes. The hybrid materials exhibited higher photocatalytic performance due to the synergistic features of Ag, g-C3N4, and NiAl-LDH, which enhanced light absorption and improved charge separation efficiency. The nanocomposite maintained its photostability during multiple testing cycles, demonstrating its potential for practical applications. Hence, the Ag@g-C<sub>3</sub>N<sub>4</sub>/NiAl-LDH system proves to be an effective and sustainable visible-light-responsive photocatalyst for hydrogen production, which could be effectively implemented in scalable solar-driven renewable energy technologies.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"465 ","pages":"Article 115654"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734680","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}

引用次数: 0

Influence of lanthanide oxide supports on the performance of barium-promoted cobalt catalysts for ammonia synthesis 镧系氧化物载体对钡促进钴合成氨催化剂性能的影响

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-10-14 DOI: 10.1016/j.cattod.2025.115611

Wojciech Patkowski , Magdalena Zybert , Urszula Ulkowska , Hubert Ronduda , Weronika Bulejak , Małgorzata Lemańska , Aleksander Albrecht , Dariusz Moszyński , Aleksandra Fidler , Piotr Dłużewski , Wioletta Raróg-Pilecka

{"title":"Influence of lanthanide oxide supports on the performance of barium-promoted cobalt catalysts for ammonia synthesis","authors":"Wojciech Patkowski , Magdalena Zybert , Urszula Ulkowska , Hubert Ronduda , Weronika Bulejak , Małgorzata Lemańska , Aleksander Albrecht , Dariusz Moszyński , Aleksandra Fidler , Piotr Dłużewski , Wioletta Raróg-Pilecka","doi":"10.1016/j.cattod.2025.115611","DOIUrl":"10.1016/j.cattod.2025.115611","url":null,"abstract":"<div><div>Developing efficient ammonia synthesis catalysts is key to reducing energy consumption and improving sustainability. This study explores barium-promoted cobalt catalysts supported on lanthanide oxides (La<sub>2</sub>O<sub>3</sub>, Nd<sub>2</sub>O<sub>3</sub>, Sm<sub>2</sub>O<sub>3</sub>, Eu<sub>2</sub>O<sub>3</sub>, Gd<sub>2</sub>O<sub>3</sub>) to understand how support choice influences catalytic performance. The catalysts were characterised using techniques such as X-ray powder diffraction (XRPD), high-resolution transmission electron microscopy (HRTEM), and temperature-programmed desorption (H<sub>2</sub>-TPD, CO<sub>2</sub>-TPD). Testing under industrially relevant conditions (400–470°C, 6.3 MPa, H<sub>2</sub>/N<sub>2</sub> = 3) revealed that lanthanide oxides strongly affect catalysts' activity, reducibility, and hydrogen adsorption. Among the tested catalysts, the La<sub>2</sub>O<sub>3</sub>-supported system exhibited the highest ammonia synthesis activity (<span><math><mrow><msub><mrow><mi>r</mi></mrow><mrow><mi>avg</mi></mrow></msub><mo>=</mo><mn>1.90</mn><msub><mi>g</mi><mrow><mi>N</mi><msub><mi>H</mi><mn>3</mn></msub></mrow></msub><mo>∙</mo><msubsup><mi>g</mi><mi>cat</mi><mrow><mo>−</mo><mn>1</mn></mrow></msubsup><mo>∙</mo><msup><mrow><mi>h</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>), likely due to its favorable hydrogen sorption properties and larger active phase surface area available for hydrogen (31 m²·g<sub>Co</sub>⁻¹). These findings highlight the potential of lanthanide oxides as supports and the importance of barium as a promoter in cobalt-based catalysts for ammonia synthesis.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"463 ","pages":"Article 115611"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145322288","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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Smoke to solutions: Transforming CO₂ waste into clean air and community well-being 从烟雾到解决方案：将二氧化碳废物转化为清洁空气和社区福祉

IF 5.3 2区化学

Catalysis Today Pub Date : 2026-03-01 Epub Date: 2025-11-28 DOI: 10.1016/j.cattod.2025.115640

Adeola Ajoke Oni , Idowu O. Malachi , Esther O. Oluwabiyi , Amirlahi Ademola Fajingbesi , Victoria M. Jegede , Funso P. Adeyekun , Francis T. Omigbodun

{"title":"Smoke to solutions: Transforming CO₂ waste into clean air and community well-being","authors":"Adeola Ajoke Oni , Idowu O. Malachi , Esther O. Oluwabiyi , Amirlahi Ademola Fajingbesi , Victoria M. Jegede , Funso P. Adeyekun , Francis T. Omigbodun","doi":"10.1016/j.cattod.2025.115640","DOIUrl":"10.1016/j.cattod.2025.115640","url":null,"abstract":"<div><div>Achieving net-zero emissions demands solutions that not only curb greenhouse gases but also improve public health. This study develops an integrated framework that links the design of carbon capture and utilisation (CCU) systems with health-impact quantification to assess combined climate, economic, and social outcomes. Three CCU pathways—amine-based post-combustion capture for cement plants, modular direct air capture (DAC) with solid amine sorbents, and power-to-X utilisation via catalytic CO₂ conversion—were analysed using harmonised life-cycle (LCA), techno-economic (TEA), and health-impact models. Each configuration incorporated renewable integration, waste-heat recovery, and pollutant-dispersion simulation to evaluate reductions in PM₂.₅, NOₓ, and SOₓ. The cement-integrated system captured 0.7–0.9 Mt CO₂ yr⁻¹ at £ 85–120 tCO₂⁻¹ , reducing global-warming potential by ≥ 80 %. DAC achieved 0.1–0.3 Mt CO₂ yr⁻¹ with a 20–30 % cost decline per doubling of capacity, while power-to-X utilisation reduced GWP by ≥ 50 % compared with fossil analogues. PM₂.₅ exposure fell 6–12 %, preventing 35–60 per year hospitalisations and generating £ 12–£ 28 million in annual health value. The findings show that coupling process optimisation with well-being metrics transforms CO₂ into a circular-economy asset, linking industrial decarbonisation with societal health gains.</div></div>","PeriodicalId":264,"journal":{"name":"Catalysis Today","volume":"465 ","pages":"Article 115640"},"PeriodicalIF":5.3,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658711","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}

引用次数: 0