Applied Catalysis A: General最新文献_第10页

Machine learning for mechanistic insights and optimization in CO₂ cycloaddition catalysis 机器学习在CO₂环加成催化中的机理洞察和优化

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-07 DOI: 10.1016/j.apcata.2025.120679

Yasmin Abdul Wahab, Nur’ain Nadia Shapril, Suzaimi Johari, Mohd Rafie Johan

引用次数: 0

Doped In2O3/ZrO2 catalysts to drive selectivity toward DME in one-pot CO2 hydrogenation 掺杂In2O3/ZrO2催化剂在一锅CO2加氢中对二甲醚的选择性驱动

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-08 DOI: 10.1016/j.apcata.2025.120682

Simona Renda, Jaime Soler, Miguel Menéndez, Javier Herguido

{"title":"Doped In2O3/ZrO2 catalysts to drive selectivity toward DME in one-pot CO2 hydrogenation","authors":"Simona Renda, Jaime Soler, Miguel Menéndez, Javier Herguido","doi":"10.1016/j.apcata.2025.120682","DOIUrl":"10.1016/j.apcata.2025.120682","url":null,"abstract":"<div><div>This study investigates single-pass dimethyl ether synthesis at mild pressure conditions using novel bifunctional catalysts based on indium-modified formulations and incorporating Ni, Cu, Pt, and Pd as active metals. Additionally, the substitution of the conventional HZSM-5 zeolite with 4A zeolite as the dehydration component was evaluated. Although 4A zeolite exhibited lower dehydration activity, it contributed to an overall improvement in DME selectivity. The incorporation of secondary metals into the In<sub>2</sub>O<sub>3</sub>-ZrO<sub>2</sub> formulation reduced catalytic activity but enhanced selectivity, ultimately increasing DME yield. The formation of by-products such as light olefins and methane was significantly dependent on the metal used: Ni, Pt, and Pd reduced olefin production, though Ni promoted excessive methane formation across the whole temperature range. Notably, the Pt-based catalyst completely suppressed by-product formation across the temperature range studied. While the In<sub>2</sub>O<sub>3</sub>-ZrO<sub>2</sub>-based catalysts generally displayed lower space–time yields than the commercial reference, they achieved comparable performance at 280 °C. Due to their superior selectivity, these formulations are promising for developing even better performing catalysts, to be excellent candidates in industrial processes, where the operation with recycle loops requires a high product purity.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120682"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527491","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

Simultaneous multianalysis of substituent effects in the catalytic degradation of organophosphates by imidazoles 咪唑催化降解有机磷中取代基效应的同时多重分析

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-22 DOI: 10.1016/j.apcata.2025.120715

Valmir B. Silva , Patrícia M. Soares, Elisa S. Orth

{"title":"Simultaneous multianalysis of substituent effects in the catalytic degradation of organophosphates by imidazoles","authors":"Valmir B. Silva , Patrícia M. Soares, Elisa S. Orth","doi":"10.1016/j.apcata.2025.120715","DOIUrl":"10.1016/j.apcata.2025.120715","url":null,"abstract":"<div><div>Understanding how substituents influence chemical reactivity is strategic when screening and predicting catalysts, especially towards the neutralization of toxic organophosphates, present in agrochemicals and chemical warfare. Herein, the substituent effects were concomitantly investigated on both nucleophilic and electrophilic centers in catalytic dephosphorylation reactions, focusing on imidazole-based nucleophiles and aryl organophosphates. Eight imidazole derivatives, bearing methyl, carboxylic acid, or hydroxyl groups, and two aryl organophosphates, were studied. High catalytic outcomes were obtained: nearly 2 min, that would take over 7 days in their absence. A simultaneous multianalysis approach (combining our data with the literature) was proposed with a novel trilinear Brønsted-type relationship correlating the reaction rate constants with the basicity of the imidazole nucleophiles and the pK<sub>a</sub> values of both the leaving and non-leaving groups of the organophosphates. While the nucleophile and leaving group exert major influences on reactivity, the non-leaving group's contribution is lower. Particularly, imidazoles display higher sensitivity to substituent variations compared to other nucleophiles, suggesting that structural tuning of the imidazole core can greatly enhance catalytic efficiency. As a proof of concept, the model accurately predicted the catalytic performance for a given reaction, compared to the one reported experimentally (∼3 % deviation). This approach offers a valuable framework for designing efficient catalysts and guiding safe, targeted experimentation in organophosphate degradation and related applications, avoiding unnecessary experiments with highly toxic agents. Such structure-reactivity relationships can foster chemical security and safety in the scope of organophosphate degradation and detection and be broaden to other classes of reactions.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120715"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621178","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

Esterification of valeric acid and glycerol via various acidic zeolites 不同酸性沸石催化戊酸和甘油酯化反应

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-17 DOI: 10.1016/j.apcata.2025.120708

Rawipa Intakul , Phuoc Hoang Ho , Derek Creaser , Oleg Pajalic , Louise Olsson

{"title":"Esterification of valeric acid and glycerol via various acidic zeolites","authors":"Rawipa Intakul , Phuoc Hoang Ho , Derek Creaser , Oleg Pajalic , Louise Olsson","doi":"10.1016/j.apcata.2025.120708","DOIUrl":"10.1016/j.apcata.2025.120708","url":null,"abstract":"<div><div>Biomass-derived green esters can be produced from the esterification of valeric acid and glycerol. In this work, various zeolites (ZSM-5, Y, and BEA) were examined, specifically targeting divalerin and trivalerin esters. A direct link between pore size and esterification performance was not evident. This outcome can be attributed to the combined influence of various characteristics such as acidity, hydrophobicity and mesoporous structure. Among the zeolite types tested, HZSM-5, HY, and HBEA with SiO<sub>2</sub>/Al<sub>2</sub>O<sub>3</sub> ratios of 87, 88.6, and 45.2, respectively, showed the best performance. The Y-zeolite with a SiO<sub>2</sub>/Al<sub>2</sub>O<sub>3</sub> atomic ratio of 88.6 produced the lowest amount of by-products. This sample had a combination of low acidity (indicating high hydrophobicity), the highest mesoporous area and a relatively high mesoporous volume. These balanced properties rendered Y zeolite with active acid sites that were easily accessible, and facilitated effective pore diffusion properties for both the reactants and products during the esterification of glycerol and valeric acid. This zeolite achieved complete glycerol conversion and a 52.9 % yield of divalerin and a 25 % of trivalerin at 130 °C after 6 h, using 1 wt% catalyst, a 5:1 acid-to-glycerol mole ratio, and continuous water removal. Additionally, the reusability of the zeolite was demonstrated, as the Y zeolite could be recycled four times with only a minimal decrease in glycerol conversion. Complete regeneration of the zeolite was also achieved through re-calcination. This study demonstrates that acidic commercial zeolites are a promising option for esterification processes due to their good catalytic performance, long-term stability and easy regeneration.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120708"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621213","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

Boosting the high-stable production of light olefins via coupling n-hexane and ethanol cracking over Zr-doped HZSM-5 at high temperature 正己烷与乙醇在zr掺杂HZSM-5上的高温偶联裂解促进了轻质烯烃的高稳定生产

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-13 DOI: 10.1016/j.apcata.2025.120703

Qilun Huang , Xu Hou , Siqi Liu , Jiayu Wang , Jing Huang , Li Yin , Enxian Yuan

{"title":"Boosting the high-stable production of light olefins via coupling n-hexane and ethanol cracking over Zr-doped HZSM-5 at high temperature","authors":"Qilun Huang , Xu Hou , Siqi Liu , Jiayu Wang , Jing Huang , Li Yin , Enxian Yuan","doi":"10.1016/j.apcata.2025.120703","DOIUrl":"10.1016/j.apcata.2025.120703","url":null,"abstract":"<div><div>Catalytic cracking process is an important technology for the efficient utilization of hydrocarbon resources, and the development of novel HZSM-5 catalysts is promising to improve light olefins production. Herein, the effects of ethanol additive and Zr-doped HZSM-5 on n-hexane catalytic cracking were explored and optimized to achieve the high-stable production of light olefins. It was found that n-hexane catalytic cracking over HZSM-5 zeolites at 600 °C exhibited a sharp catalyst deactivation, and the yield of light olefins higher than 20 % was only maintained for 1 h on stream. While, adding ethanol (10 %) into n-hexane and incorporating Zr-doping (1 %) into HZSM-5 significantly improved the catalytic stability at 600 °C, and the yield of light olefins was maintained at a high-stable level of 43.6 %-52.4 % for at least 6 h on stream. Based on the detailed analysis of product distribution, catalyst characterizations and mechanism indexes, it was deduced that adding ethanol and introducing Zr-doping were effective to promote the monomolecular cracking and inhibit the oligomerization and aromatization, which improved alkenes selectivity and light olefins production; meanwhile, the presence of ethanol enhanced the removal of coke deposit, and the presence of ZrO<sub>2</sub> protected HZSM-5 structure, which alleviated the deactivation of HZSM-5 catalysts and achieved a high-stable production of light olefins at 600 °C. This work may provide a theoretical basis for the design and preparation of efficient HZSM-5 catalysts to boost light olefins production via coupling hydrocarbon and alcohol cracking.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120703"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527440","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

In-situ loading of ZnIn2S4 onto Ni-MOF-74 to construct type Ⅱ heterojunction for improving photocatalytic hydrogen production 原位负载ZnIn2S4在Ni-MOF-74上构建Ⅱ型异质结以改善光催化制氢

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-07 DOI: 10.1016/j.apcata.2025.120680

Kunpeng Song , Haojie Lin , Qing Guo , Fang Liao , Chunmei Zeng

{"title":"In-situ loading of ZnIn2S4 onto Ni-MOF-74 to construct type Ⅱ heterojunction for improving photocatalytic hydrogen production","authors":"Kunpeng Song , Haojie Lin , Qing Guo , Fang Liao , Chunmei Zeng","doi":"10.1016/j.apcata.2025.120680","DOIUrl":"10.1016/j.apcata.2025.120680","url":null,"abstract":"<div><div>ZnIn<sub>2</sub>S<sub>4</sub> is a semiconductor photocatalyst with a suitable band gap for renewable energy production. However, its efficiency in photocatalytic hydrogen evolution is limited by the rapid recombination of photogenerated charge carriers. In this study, a ZnIn<sub>2</sub>S<sub>4</sub>@Ni-MOF-74 heterojunction nanocomposite was designed and synthesized via an in-situ hydrothermal growth method. This unique structure promotes intimate interfacial contact between the two materials and ensures a well-aligned band structure. The optimized ZnIn<sub>2</sub>S<sub>4</sub>@Ni-MOF-74 composite achieves a photocatalytic hydrogen evolution rate of 1823.7 μmol·g<sup>−1</sup>·h<sup>−1</sup> without the use of precious metal cocatalysts, significantly surpassing that of pristine ZnIn<sub>2</sub>S<sub>4</sub>. Cycling tests demonstrated that the photocatalyst maintains stable performance over 12 consecutive cycles without significant degradation. The enhanced photocatalytic activity can be attributed to the well-matched band alignment and intimate interfacial contact, which collectively facilitate the formation of a type-II heterojunction structure, thereby promoting efficient charge separation and migration.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120680"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464899","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

Surface acidity passivated MCM-22@SiO2 core-shell structure catalyst for shape-selective production of p-cresol from phenol methylation 表面酸性钝化MCM-22@SiO2核壳结构催化剂，用于苯酚甲基化制备对甲酚

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-04 DOI: 10.1016/j.apcata.2025.120678

Xiaolin Zhu , Shipeng Song , Minghui Liu , Zhengchao Wang , Chunxue Wang , Haoyu Wei , Chunyi Li , Chaohe Yang , Guowei Wang

{"title":"Surface acidity passivated MCM-22@SiO2 core-shell structure catalyst for shape-selective production of p-cresol from phenol methylation","authors":"Xiaolin Zhu , Shipeng Song , Minghui Liu , Zhengchao Wang , Chunxue Wang , Haoyu Wei , Chunyi Li , Chaohe Yang , Guowei Wang","doi":"10.1016/j.apcata.2025.120678","DOIUrl":"10.1016/j.apcata.2025.120678","url":null,"abstract":"<div><div>Shape-selective methylation of phenol with methanol is an eco-friendly and selective process for producing p-cresol. However, the p-cresol product undergoes isomerization inevitably over the external surface acid sites of the MCM-22 zeolite catalyst, resulting in a greatly reduced p-cresol selectivity. This work has fabricated a MCM-22@SiO<sub>2</sub> core-shell structure catalyst with effectively passivated surface acidity and continuous micro-mesopore channels, thereby realizing highly selective production of p-cresol from phenol methylation. On the one hand, a micro-mesoporous MCM-22 zeolite substrate with high crystallinity was successfully synthesized by regulating the hydrothermal alkalinity, which significantly reduced the coke deposition rate and improved the catalytic stability to ∼80 h. On the other hand, the external surface acidity of core MCM-22 zeolite was passivated by the chemically deposited SiO<sub>2</sub> continuous shell, thereby substantially suppressing the secondary isomerization side reaction and increasing the p-cresol productivity with a phenol conversion > 30 %, cresol selectivity > 90 % and p-cresol/cresols ∼70 %. This work provides a valid method for regulating zeolite surface acidity, as well as an efficient core-shell catalyst for shape-selective phenol methylation to p-cresol.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120678"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464897","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

Progress and prospects of catalysts for electrocatalytic lignin depolymerization 电催化木质素解聚催化剂的研究进展与展望

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-01 DOI: 10.1016/j.apcata.2025.120667

Yujing Li , Yanxia Wang , Wei Liu , Lingmin Sun , Tengfei Guo , Jiangshan Zhao , Danyang Li , Xiang Li , Zhigang Wang

{"title":"Progress and prospects of catalysts for electrocatalytic lignin depolymerization","authors":"Yujing Li , Yanxia Wang , Wei Liu , Lingmin Sun , Tengfei Guo , Jiangshan Zhao , Danyang Li , Xiang Li , Zhigang Wang","doi":"10.1016/j.apcata.2025.120667","DOIUrl":"10.1016/j.apcata.2025.120667","url":null,"abstract":"<div><div>Lignin, as the most abundant renewable aromatic polymer in nature, is a key resource for sustainable biorefining and the production of value-added chemicals. Electrocatalytic lignin depolymerization has emerged as a promising approach for the valorization of lignin due to its mild conditions, tunable reactivity, and high energy efficiency. This review systematically summarizes recent advances in the rational design and development of electrocatalysts, covering noble metals, non-noble metal compounds, as well as innovative molecular and biomimetic catalysts, with a focus on reaction mechanisms and structure–performance relationships. Key design strategies such as single-atom dispersion, support engineering, defect modulation, and tandem catalysis are discussed in depth for enhancing catalytic activity, selectivity, and stability, highlighting the critical role of electronic structure modulation in substrate adsorption and conversion. This review further dissects the fundamental mechanisms of electrocatalytic oxidation and hydrogenolysis, while also assessing pioneering progress in electrolyte and reactor design from a systems perspective. The discussion culminates in a critical outlook on current challenges and a forward-looking roadmap for achieving sustainable industrial application.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120667"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464918","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

Co/SiO₂ eggshell catalysts: An efficient and controllable synthesis method Co/ sio2蛋壳催化剂：一种高效可控的合成方法

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-15 DOI: 10.1016/j.apcata.2025.120707

Fernanda S. Pimenta, Alexis Godet, Babu Joseph, John N. Kuhn

{"title":"Co/SiO₂ eggshell catalysts: An efficient and controllable synthesis method","authors":"Fernanda S. Pimenta, Alexis Godet, Babu Joseph, John N. Kuhn","doi":"10.1016/j.apcata.2025.120707","DOIUrl":"10.1016/j.apcata.2025.120707","url":null,"abstract":"<div><div>Eggshell catalysts are characterized by the deposition of the active phase near the outer layer of the pellet, offering advantages for diffusion-limited reactions. In this work, a scalable and reproducible method for synthesizing Co/SiO₂ eggshell catalysts using 2 mm spherical silica pellets is presented. Unlike reported procedures, this method does not require multiple impregnations, the use of a nitrogen glovebox, drying of pellets soaked in non-polar solvent, and the use of viscosifying agents. The influence of contact time in the precursor solution on shell thickness and Co loading was investigated. Shell thicknesses between 0.21 and 0.37 mm were achieved, with standard deviations of 0.02 – 0.06 mm. A cobalt loading of 19.6 wt% (XRF) was obtained in one impregnation step, with average crystallite sizes of 13–16 nm (Scherrer analysis). Fischer–Tropsch Synthesis (230 ℃ and 10 bar) confirmed that shell thickness impacts product selectivity. The catalyst with 0.37 mm shell thickness resulted in higher C₅⁺ selectivity and lower CO₂ and CH₄ formation than catalysts with thinner shells and one with a uniform distribution, which highlights the importance of precision in tuning the shell thickness during synthesis. The catalysis trends with shell thickness are attributed to residence time in the pores and Co particles encountered during the diffusion path, which promotes olefin re-adsorption and chain growth to middle distillates (<span><math><msub><mrow><mi>C</mi></mrow><mrow><mn>10</mn></mrow></msub></math></span> - <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>20</mn></mrow></msub><mo>)</mo></mrow></math></span> hydrocarbons while deterring saturation of light hydrocarbons. Overall, the proposed method enables high Co loading with one impregnation and controlled shell thickness with improved reproducibility and scalability.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120707"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577510","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

Kinetic modeling of the combined HCHO/SCR reaction on V2O5/WO3/TiO2 catalyst in lean exhaust gas of stationary gas engines 固定式燃气发动机稀废气中V2O5/WO3/TiO2催化剂上HCHO/SCR联合反应动力学建模

IF 4.8 2区化学

Applied Catalysis A: General Pub Date : 2026-01-25 Epub Date: 2025-11-17 DOI: 10.1016/j.apcata.2025.120709

Christoph Hahn, Sven Kureti

{"title":"Kinetic modeling of the combined HCHO/SCR reaction on V2O5/WO3/TiO2 catalyst in lean exhaust gas of stationary gas engines","authors":"Christoph Hahn, Sven Kureti","doi":"10.1016/j.apcata.2025.120709","DOIUrl":"10.1016/j.apcata.2025.120709","url":null,"abstract":"<div><div>For the simultaneous removal of NO<sub>x</sub> and HCHO from lean exhaust gas of stationary gas engines, V₂O₅/WO₃/TiO₂ (VWT) catalysts are used. The VWT catalysts oxidize HCHO and convert NO<sub>x</sub> according to the selective catalytic reduction (SCR). However, the combined HCHO/SCR conversion leads to the production of HCN, which can subsequently decompose along the VWT catalyst.</div><div>In this context, a global kinetic model of the combined HCHO/SCR conversion was developed using a VWT monolith with a V<sub>2</sub>O<sub>5</sub> load of 2 %. The model was based on a systematic series of kinetic studies performed in a gradient free loop reactor as well as a plug flow reactor The kinetic model represented a network of 8 reactions consisting of the NH<sub>3</sub> adsorption and desorption, SCR reaction, NH<sub>3</sub> oxidation, HCHO oxidation, HCN formation as well as hydrolysis and oxidation of HCN. The kinetics of the respective reactions was described by Arrhenius-based rate expressions including 19 kinetic parameters. The kinetic parameters were primarily obtained from numerical fitting calculations. The model and the implemented kinetic parameters were finally validated by predicting kinetic experiments.</div><div>Moreover, the model was used to simulate the fractions of NO<sub>x</sub>, NH<sub>3</sub>, HCHO and HCN along the VWT monolith. Using these axial profiles operation temperatures and design of the monolith were evaluated to limit the emissions of a stationary lean-burn gas engine.</div></div>","PeriodicalId":243,"journal":{"name":"Applied Catalysis A: General","volume":"710 ","pages":"Article 120709"},"PeriodicalIF":4.8,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577508","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