Catalysis Today最新文献_第5页

Biodiesel production through the esterification of palm oil effluent using sulfonated MIL-101(Cr) catalyst using linkers derived from PET plastic waste 使用从PET塑料废物中提取的连接剂，使用磺化MIL-101（Cr）催化剂，通过棕榈油废水酯化生产生物柴油

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-10-02 DOI: 10.1016/j.cattod.2025.115584

Yasin Khani , Fatemeh Khani-Aghesmaeili , Behzad Valizadeh , Bo Sung Kang , Kanghee Cho , Young-Kwon Park

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.

棕榈油脂肪酸馏出物（PFAD）是棕榈油精炼的副产品，作为生物柴油的原料已引起人们的兴趣。与此同时，PET废物的不断积累也带来了严重的环境挑战。在本研究中，以PET废料为连接剂的磺化金属有机骨架（MOF）为催化剂，采用不同的醇催化PFAD酯化。当使用甲醇作为溶剂时，在60-120°C的温度范围内，始终观察到高游离脂肪酸（FFA）转化率（~ 100 %）。相比之下，在高温下，乙醇和异丙醇的FFA转化率显著提高，在90 °C和120 °C时分别达到99.4 %和99.7 %，这是由于分子相互作用的增强。这种增强是由于改善了溶剂化效应和提高了分子迁移率，从而促进了在较高温度下的酯化反应。较高的醇链长度会增加活化能，从而对酯化效率产生负面影响。更高的催化剂与原料（C/F）比也提高了转化率。mof中的磺酸基（SO3H）含量起着至关重要的作用：MCS30催化剂（30 % SO3H连接剂）与甲醇、乙醇和异丙醇的FFA转化率最高，其次是20 %和10 %的连接剂。这是由于丰富的Brønsted酸位点在反应过程中促进了质子的捐赠。MCS30催化剂也表现出优异的可重复使用性，在四个循环中，FFA转化率仅从99.7 %略微下降到95.2% %。总的来说，这种方法提供了双重环境效益：减少PET塑料废物，并通过PFAD酯化实现可持续的生物柴油生产。

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引用次数: 0

The 2nd China-Japan Symposium on Catalysis (2ndCJSC), Shanghai, China during 3–5 November, 2024 第二届中日催化技术研讨会，2024年11月3日至5日，中国上海

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-10-09 DOI: 10.1016/j.cattod.2025.115592

Jinlong Zhang , Hiromi Yamashita

引用次数: 0

Enhancing higher alcohols selectivity in CO2 hydrogenation over FeCu catalysts via Mg modification 通过Mg改性提高FeCu催化剂CO2加氢的高醇选择性

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-10-17 DOI: 10.1016/j.cattod.2025.115614

Baojian Chen , Caixia Zhu , Haozhe Feng , Teng Li , Zhihao Liu , Zhenzhou Zhang , Yingluo He , Noritatsu Tsubaki

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.

在feu基催化剂上，CO2加氢生成高级醇（C2+OH）为碳循环利用提供了一条很有前途的途径。然而，由于反应网络的复杂性和形成机制的不明确，仍然存在碳利用效率低、产物选择性有限等挑战。本文采用共沉淀法合成了一系列Mg含量不同的Mg改性feu基催化剂（2Na/Fe1Cu2Mgx），并对其催化CO2加氢制C2+OH的性能进行了研究。适量Mg的加入显著减小了活性金属的粒径，增强了Cu和Fe之间的金属-金属相互作用，从而进一步促进了Cu-χ-Fe5C2界面结构的形成。多次高级表征表明，Cu-χ- Fe5C2明确的界面提高了对CO2和CO的吸附能力，同时促进CHₓ和CO中间体的协同耦合，以高选择性地形成C2+OH产物。在320℃，5.0 MPa条件下，2Na/Fe1Cu2Mg1催化剂的C2+OH选择性为25.4 %，空时产率（STY）为75.1 mg·gcat-¹ ·h-¹ ，CO2转化率为32.6% %。值得注意的是，当反应温度提高到380℃时，STY进一步提高到110.1 mg·gcat-¹ ·h-¹ ，CO2转化率达到55.4% %，CO选择性降至6.7 %。本研究阐明了Mg在调节催化剂结构和构建高效活性界面中的关键作用，为合理开发高选择性CO2加氢制高级醇催化剂提供了新的理论基础和设计策略。

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引用次数: 0

Description of the Co9S8-MoS2 interface: Insights for explaining the cobalt promoting effect in hydrodesulfurization sulfide catalysts Co9S8-MoS2界面的描述：解释加氢脱硫硫化物催化剂中钴促进作用的见解

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-09-17 DOI: 10.1016/j.cattod.2025.115565

Oscar A. López-Galán , D. Zahir Salazar-Sánchez , Brenda Torres , Gilles Berhault , Manuel Ramos

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.

加氢脱硫（HDS）催化剂仍然是炼油工业战略的重要组成部分，以实现清洁石油削减，尊重规定的硫量。即使钴或镍对MoS2基催化剂的促进作用已经被广泛研究了几十年，提供了令人满意的描述，本质上是电子的，通过所谓的CoMoS相的形成，CoMoS模型与之前通过所谓的接触协同模型对无负载Co/MoS2体系的协同作用的描述仍然存在差异。本文结合Co9S8/MoS2界面模型的描述，总结了实验和DFT计算方面的进展，以解决这一差异。将描述不同的方面，包括界面的透射电子显微镜表征，界面模型的DFT构建，以及它在电子结构方面的影响，二苯并噻吩HDS反应的过渡态（TS）能量，以及各种MoS2边缘位置的TS能量的自旋依赖性。最后，将介绍Co9S8/MoS2界面模型描述的潜在新进展。这一综述完成了广泛和快速地引入使用共促进MoS2的HDS的迫切需要，以指导下一代燃料生产催化剂的开发。

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引用次数: 0

Mechanisms of methane oxidation over atomically dispersed transition-metals in ZSM-5: The role of CO ZSM-5中原子分散过渡金属上甲烷氧化的机理：CO的作用

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.cattod.2025.115656

B. Sathya Sai Rengam, Jithin John Varghese

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.

ZSM-5框架内的原子分散金属是很有前途的甲烷液相氧化催化剂。在这项工作中，我们确定了Ir和Cu阳离子在沸石笼内的位置，阐明了CO在甲烷中形成C-H键解离活性位点中的作用，以及在Ir- zsm -5和Cu- zsm -5催化剂上，在含分子氧的水介质中甲烷氧化过程中各种氧化物形成的机制和趋势，使用详细的DFT模拟。在Ir-ZSM-5中，CO仍然是Ir-O活性位点的旁观者配体，负责甲烷中第一个C-H键的激活，而在Cu-ZSM-5中，CO是一个牺牲配体，被氧化成CO2，促进甲烷解离Cu-O活性位点的形成。Ir-ZSM-5上的CO配体降低了甲烷解离的激活势垒。在Ir-ZSM-5上通过自由基反弹机制形成的甲醇很可能通过甲醛中间体进一步氧化为甲酸，这使其成为最有可能的产物。在Cu-ZSM-5上，虽然形成Cu-O活性位点的激活势垒很高，但甲烷解离势垒极低，有利于以自由基反弹机制形成甲醇。Cu-ZSM-5催化剂上有限的活性位点和形成甲醛的高活性屏障可能限制了甲酸的形成。原子分散的Cu-ZSM-5是一种在分子氧和CO共进料的水介质中选择性甲烷氧化制甲醇的有希望的候选物。

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引用次数: 0

An interpretable, data-driven framework empowered by explainable AI for fuel consumption and CO₂ emission prediction 一个可解释的、数据驱动的框架，由可解释的人工智能授权，用于燃料消耗和二氧化碳排放预测

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-12-04 DOI: 10.1016/j.cattod.2025.115651

Muhammad Sajid Farooq , Muhammad Saleem , Tehseen Mazhar , Muhammad Almas Anjum , Tariq Shahzad , Muhammad Adnan Khan , Habib Hamam

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.

对环境可持续性和监管要求的日益关注，要求对燃料消耗和二氧化碳排放有更深入的了解。然而，准确的预测仍然具有挑战性，因为几个因素的影响可能交织在一起，预测模型的结果不容易解释。传统使用的方法通常依赖于黑盒或过度简化的线性模型，因此无法捕获嵌入在高维数据中的复杂关系。这导致明显缺乏可用于指导决策和政策制定的可操作的分析见解；因此，它们的使用仅限于政策制定者、环境科学家和工业。这种有限的可解释性极大地限制了这些模型在现实世界可持续性规划和排放控制战略中的采用。可解释人工智能（XAI）提供了一个强大而透明的解决方案来弥合这一关键差距。传统的机器学习模型往往对最终用户缺乏透明度，与之不同的是，XAI结合了高水平的准确性和可解释性。因此，本研究提出了一个增强的可解释的、由XAI授权的数据驱动框架来克服这些限制。使用公开的Kaggle数据集（包含639个车辆样本）对该框架进行了评估，使用Extra Trees regression模型获得了较好的预测性能，R²值为0.9168，RMSE为14.93。为了确保透明度和基于洞察力的解释，所提出的模型采用当代XAI方法来解释实例级的燃料消耗和二氧化碳排放。该方法通过识别关键的排放决定因素，量化其相对影响，并揭示车辆属性与排放结果之间的潜在关系，支持知情决策。与之前的方法相比，该框架具有更高的预测准确性、更好的可解释性和更强的实际适用性，是可持续交通管理和数据驱动环境政策制定的可靠解决方案。

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引用次数: 0

Topology-acidity-catalytic activity interplay in hierarchical nanolayered aluminosilicate zeolites for Friedel-Crafts alkylation 层叠纳米级铝硅酸盐沸石的拓扑-酸性-催化活性相互作用及其对Friedel-Crafts烷基化的影响

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-09-30 DOI: 10.1016/j.cattod.2025.115580

Oleksiy V. Shvets , Mykhailo M. Kurmach , Michal Mazur , Petr Golis , Pavlo S. Yaremov , Oleg Petrov , Nataliya D. Shcherban , Jiři Čejka , Mariya V. Shamzhy

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 via 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. In situ 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 %) < FER (30 %) < MOR (57 %) < 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.

纳米层沸石作为大分子反应的高效催化剂，处于研究的前沿。迄今为止，各种沸石已经通过使用gemini型表面活性剂通过直接水热结晶以纳米层形式合成，并且它们的增强催化性能已经在酸催化转化大块底物中得到证明。然而，沸石拓扑结构对表面酸位强度和配位环境的影响及其对催化行为的影响尚不清楚。本研究使用一系列具有FER、MFI、MOR和BEA拓扑结构的纳米层铝硅酸盐沸石作为表面酸位敏感模型反应，探索了拓扑-酸-活性关系。原位红外监测取代吡啶的热脱附显示沸石表面Brønsted酸强度相当，而27Al MAS NMR显示扭曲四面体Al位点的拓扑依赖性增加：MFI (21%) <； FER (30%) <； MOR (57%) <； BEA（64%）。纳米层MFI、FER和MOR的催化活性随表面可达Brønsted酸位浓度（mmol/g）或密度（mmol/m2）的增加而增加，其中FER的产率最高（37%），选择性最高（84%）。这一趋势在BEA中被打破，尽管表面Brønsted酸位点浓度相当高，但活性较低。本研究结果强调了拓扑依赖的结构特征对纳米层沸石催化性能的影响。

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引用次数: 0

Pt-V bimetallic catalysts for the catalytic reduction of chlorate ion pollutants in natural water Pt-V双金属催化剂催化还原天然水中氯酸盐离子污染物

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-10-28 DOI: 10.1016/j.cattod.2025.115617

A. Pla-Hernández , K. Góra-Marek , K.A. Tarach , A.E. Palomares

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.

研究了氧化铝负载Pt-V双金属催化剂在水相氯酸盐加氢反应中的应用。观察到Pt和V之间存在协同作用，增强了催化活性。研究了单金属和双金属催化剂在含氯酸盐离子的污染天然水中的活性。观察到，单金属催化剂在这些条件下不具有活性，因为天然水中存在的其他阴离子对Pt活性位点的竞争性吸附。相反，Pt-V催化剂在天然水中具有活性，能够在其他离子存在的情况下还原介质中的氯酸盐离子。通过不同的技术对材料进行了表征，观察到在Pt-Al2O3中添加钒会改变铂位点的电子性质，这是由于两种金属之间的高电子相互作用。这种相互作用有利于形成部分带正电的铂纳米团簇，并增强催化剂表面的酸性。利用一氧化碳作为探针分子的红外表征提供了参与反应中心的选择性信息。结果表明，CO-Pt+δ在2100 cm−1附近的条带强度与催化剂的初始活性呈正相关。这表明部分带电Pt纳米团簇是氯酸盐还原最活跃的位点。贵金属和非贵金属的结合以及它们与氧化铝载体的相互作用，改善了催化剂的氧化还原和酸性，提高了催化剂的活性，使天然水中氯酸盐污染物的还原成为可能。

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引用次数: 0

A study on Sn-doped SrFeO3-δ oxygen carriers for chemical looping oxidative dehydrogenation of ethane sn掺杂SrFeO3-δ氧载体在乙烷化学环氧化脱氢中的研究

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-12-05 DOI: 10.1016/j.cattod.2025.115641

Seung Hun Baek , Hyang-Dong Kim , Sang Jun Park , Jihyeon Shin , Jung Min Sohn

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.

本研究探讨了在乙烷化学环氧化脱氢（CL-ODH）过程中，锡（Sn）取代对SrFeO3-δ氧转移特性和氧化还原选择性的影响。Sn4 +作为氧化还原活性阳离子在b位点的结合有助于钙钛矿晶格在连续的还原-氧化循环中的稳定，并调节对选择性氧化脱氢至关重要的氧的反应活性。在没有Sn掺杂的情况下，SrFeO3-δ表现出快速的氧释放和不稳定的表面氧，有利于深度氧化反应和结构降解。相反，适度的Sn取代，特别是在X = 0.90的组合物中，提高了晶格氧的利用率，同时减轻了过量表面氧的存在。这种调整减少了CO2的生成，提高了乙烯的选择性和收率。然而，过量的锡掺入降低了铁基活性氧的可用性，使反应机制转向热脱氢。这些发现表明，精确的锡掺杂是调节SrFeO3-δ中氧转移途径的有效方法，实现了结构稳定性和选择性氧化脱氢性能之间的平衡。结果强调了sn修饰的钙钛矿材料作为高效氧载体的潜力，并提出了通过有针对性地控制氧的分布来进一步增强的途径。

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引用次数: 0

Application of hollow silica spheres with radially oriented mesopores to microreactors for two-phase reactions heated by microwave irradiation 径向介孔中空硅球在微波加热两相反应微反应器中的应用

IF 5.3 2区化学 Q1 CHEMISTRY, APPLIED

Catalysis Today

Pub Date : 2026-03-01 Epub Date: 2025-10-07 DOI: 10.1016/j.cattod.2025.115595

Masaki Okamoto , Hiroaki Ueda , Shuntaro Tsubaki , Yuji Wada

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.

采用径向介孔中空硅球作为微反应器，进行了丁醛缩醛的两相反应。将以2 M硫酸为催化剂填充的空心球作为水相，加入到丁醛为有机相的庚烷溶液中，在95℃下加热。由于乳化液中的液滴比空心球大，反应速率比不使用空心球的乳化液两相反应要高。在反应混合物相同温度下，采用微波加热时，反应速率比常规加热时有所提高。因为水能有效地吸收微波，而庚烷不能，所以只有空心球中的水相被微波选择性地加热。

引用次数: 0