Catalysis Letters最新文献

筛选
英文 中文
Preparation of Cu–Al2O3–TiO2–Ti3C2/HZSM-5 Catalysts for Catalytic CO2 Hydrogenation to Dimethyl Ether 制备用于催化 CO2 加氢制二甲醚的 Cu-Al2O3-TiO2-Ti3C2/HZSM-5 催化剂
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-25 DOI: 10.1007/s10562-024-04828-2
Yanping Yang, Tongming Su, Xinling Xie, Xuan Luo, Hongbing Ji, Jin-Chung Sin, Sze-Mun Lam, Zuzeng Qin
{"title":"Preparation of Cu–Al2O3–TiO2–Ti3C2/HZSM-5 Catalysts for Catalytic CO2 Hydrogenation to Dimethyl Ether","authors":"Yanping Yang,&nbsp;Tongming Su,&nbsp;Xinling Xie,&nbsp;Xuan Luo,&nbsp;Hongbing Ji,&nbsp;Jin-Chung Sin,&nbsp;Sze-Mun Lam,&nbsp;Zuzeng Qin","doi":"10.1007/s10562-024-04828-2","DOIUrl":"10.1007/s10562-024-04828-2","url":null,"abstract":"<div><p>To develop efficient catalysts for CO<sub>2</sub> hydrogenation to dimethyl ether, Cu–Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub>–Ti<sub>3</sub>C<sub>2</sub>/HZSM-5 bifunctional catalysts were prepared by the surfactant PVP-assisted coprecipitation. The influence of Ti<sub>3</sub>C<sub>2</sub> on Cu–Al<sub>2</sub>O<sub>3</sub>-based catalysts was investigated. The characterization results revealed that slight oxidation of the Ti<sub>3</sub>C<sub>2</sub> surface generated highly dispersed TiO<sub>2</sub> nanoparticles that the doping of TiO<sub>2</sub>‒Ti<sub>3</sub>C<sub>2</sub> in the Cu‒Al<sub>2</sub>O<sub>3</sub> catalyst increased the specific surface area of the catalyst and promoted the formation and growth of Cu nanoparticles, and that strong interactions occurred between TiO<sub>2</sub>‒Ti<sub>3</sub>C<sub>2</sub> and the Cu components. The number of oxygen vacancies at the interface between TiO<sub>2</sub>‒Ti<sub>3</sub>C<sub>2</sub> and Cu increased by 17%, and the electronic kinetic energy of Cu<sup>0</sup> decreased by 0.1 eV, with the electron-rich oxygen vacancies transferring electrons to Cu<sup>2+</sup> ions and maintaining more Cu species in lower oxidation states. Reactions were carried out at 260 °C and 3.0 MPa with a gaseous hourly space velocity (GHSV) of 1500 cm<sup>3</sup>‧g<sup>−1</sup>‧h<sup>−1</sup> using Cu–Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub>–Ti<sub>3</sub>C<sub>2</sub>/HZSM-5 with 5.0 wt% Ti<sub>3</sub>C<sub>2</sub> as the hydrogenation catalyst, which provided a CO<sub>2</sub> conversion of 26.8% with 57.8% selectivity for DME.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 HCl in Photo-catalyzed Oxidation of Cyclohexane with Decatungstate or PMo12-nVn 盐酸对十钨酸盐或 PMo12-nVn 光催化氧化环己烷的影响
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-25 DOI: 10.1007/s10562-024-04797-6
Wenfeng Wu, Xiaofang Liu, Lei Zha, Xiangyu Xie, Anqun Su, Chuanwu Xiong, Weiye Yang, Lin Yu, Xiao Zhou, Yicheng Ding
{"title":"Influence of HCl in Photo-catalyzed Oxidation of Cyclohexane with Decatungstate or PMo12-nVn","authors":"Wenfeng Wu,&nbsp;Xiaofang Liu,&nbsp;Lei Zha,&nbsp;Xiangyu Xie,&nbsp;Anqun Su,&nbsp;Chuanwu Xiong,&nbsp;Weiye Yang,&nbsp;Lin Yu,&nbsp;Xiao Zhou,&nbsp;Yicheng Ding","doi":"10.1007/s10562-024-04797-6","DOIUrl":"10.1007/s10562-024-04797-6","url":null,"abstract":"<div><p>Decatungstate ((nBu<sub>4</sub>N)<sub>4</sub>W<sub>10</sub>O<sub>32</sub>, marked as DTs) and PMo<sub>12-n</sub>V<sub>n</sub> could be easily synthesized via polymerization in acidic aqueous solution. They can efficiently catalyze the oxidation of cyclohexane to afford cyclohexanone and cyclohexanol under visible light, affording about 30% conversion in the presence of additive HCl. This is the first example to show the influence of HCl on oxidizing capacity for DTs and PMo<sub>12-n</sub>V<sub>n</sub>. It was found that PMo<sub>12-n</sub>V<sub>n</sub> could induce the generation of chlorine radical in the presence of HCl, playing a significant role to realize the oxidation of cyclohexane.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Correction to: Insight into the Interaction of PerovskiteLike Surfaces (LaMnO3 and LaCoO3) with Ar, H2, CO, and O2 through NAPXPS Analysis 更正:通过 NAPXPS 分析深入了解类透镜表面(LaMnO3 和 LaCoO3)与 Ar、H2、CO 和 O2 的相互作用
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-25 DOI: 10.1007/s10562-024-04832-6
Juan Tapia-P., Jaime Gallego, Oscar Gamba, Juan F. Espinal
{"title":"Correction to: Insight into the Interaction of PerovskiteLike Surfaces (LaMnO3 and LaCoO3) with Ar, H2, CO, and O2 through NAPXPS Analysis","authors":"Juan Tapia-P.,&nbsp;Jaime Gallego,&nbsp;Oscar Gamba,&nbsp;Juan F. Espinal","doi":"10.1007/s10562-024-04832-6","DOIUrl":"10.1007/s10562-024-04832-6","url":null,"abstract":"","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10562-024-04832-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142453005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deactivation Mechanism of Potassium on the γ-Fe2O3 Catalysts for SCR Reaction: A DFT Study 钾在用于 SCR 反应的 γ-Fe2O3 催化剂上的失活机理:DFT 研究
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-22 DOI: 10.1007/s10562-024-04825-5
Jin-Qin Zhong, Zi-Peng Li, Dong-Dong Ren, Jian-Xiang Guo, Ji-Jin Wang, Lin-Yang Zhang, Na Liu
{"title":"Deactivation Mechanism of Potassium on the γ-Fe2O3 Catalysts for SCR Reaction: A DFT Study","authors":"Jin-Qin Zhong,&nbsp;Zi-Peng Li,&nbsp;Dong-Dong Ren,&nbsp;Jian-Xiang Guo,&nbsp;Ji-Jin Wang,&nbsp;Lin-Yang Zhang,&nbsp;Na Liu","doi":"10.1007/s10562-024-04825-5","DOIUrl":"10.1007/s10562-024-04825-5","url":null,"abstract":"<div><p>The presence of alkali metals in flue gas can lead to catalyst poisoning, which can significantly impact the de-NOx efficiency of the catalyst. There is a lack of specific studies on the influence of potassium (K) poisoning on the efficiency of γ-Fe<sub>2</sub>O<sub>3</sub>. In this study, the mechanism of K poisoning on the γ-Fe<sub>2</sub>O<sub>3</sub> surface was studied based on DFT, and the influence of K on molecular adsorption and SCR reaction process was analyzed. The results show that the K<sub>2</sub>O and KCl provide O, K, and Cl ions when deposited on the catalyst surface. The adsorption and dehydrogenation processes of NH3 were enhanced to varying degrees near the O and Cl iron sites, but the subsequent generation and decomposition of NH<sub>2</sub>NO were inhibited. On the sites near K cations, the adsorption, dehydrogenation, and subsequent SCR reaction processes of NH<sub>3</sub> are hindered, and the adverse effects on the reaction are greater on the Fe sites closer to K. As well as the presence of K can to some extent promote the adsorption of NO and O<sub>2</sub>.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Preparation and Application of WELAN to Pd(OAc)2-Catalyzed Suzuki–Miyaura Cross-Coupling Reaction 制备 WELAN 并将其应用于 Pd(OAc)2 催化的铃木-宫浦交叉偶联反应
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-22 DOI: 10.1007/s10562-024-04815-7
Bishwajit Saikia
{"title":"Preparation and Application of WELAN to Pd(OAc)2-Catalyzed Suzuki–Miyaura Cross-Coupling Reaction","authors":"Bishwajit Saikia","doi":"10.1007/s10562-024-04815-7","DOIUrl":"10.1007/s10562-024-04815-7","url":null,"abstract":"<div><p>An extremely efficient green protocol for palladium acetate-catalysed ligand-free Suzuki–Miyaura cross-coupling reactions of aryl/heteroaryl bromides with aryl/substitute aryl boronic acids in neat ‘Water Extract of Leaf Ash of Neem’ (WELAN)’ was developed. This method offers a simple, mild, efficient and highly cost-effective alternative to the existing protocols since the reaction proceeds in natural feedstock WELAN at room temperature in air at very short reaction times (5–60 min) under ligand/external base/promoter/organic medium free conditions. Here WELAN has been found to be the effective base and reaction medium for this cross-coupling reaction with high turnover number (TON). This manuscript also theoretically depicts the probable mechanism of WELAN catalysed cross-coupling reaction.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Effects of M-Doping and Oxygen Vacancy on the Electronic and Photocatalytic Water-Splitting Properties of α-BiNbO4 (M = Mo, W) M 掺杂和氧空位对 α-BiNbO4 (M = Mo, W) 的电子和光催化分水特性的影响
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-21 DOI: 10.1007/s10562-024-04823-7
Hong Wang, Yunfei Ma, Chongyang Zhao, JinKun Bai, Kangrong Lai
{"title":"Effects of M-Doping and Oxygen Vacancy on the Electronic and Photocatalytic Water-Splitting Properties of α-BiNbO4 (M = Mo, W)","authors":"Hong Wang,&nbsp;Yunfei Ma,&nbsp;Chongyang Zhao,&nbsp;JinKun Bai,&nbsp;Kangrong Lai","doi":"10.1007/s10562-024-04823-7","DOIUrl":"10.1007/s10562-024-04823-7","url":null,"abstract":"<div><p>Based on the first-principles density-functional theory, formation energies, transition energy levels of M (M = Mo, W) doped α-BiNbO<sub>4</sub> systems are studied. The calculation results show that the donor defects form easily under Bi-rich condition. Of these, the W<sub>int</sub> (W interstitial) and Mo<sub>int</sub> (Mo interstitial) are the two main defects that lead to n-type conductivity. Then, the electronic structures of M-mono-doped and M/O<sub>vac</sub> (O vacancy)-codoped α-BiNbO<sub>4</sub> were investigated. Our results show that the band gap of W<sub>int</sub>/O<sub>vac</sub>-codoped α-BiNbO<sub>4</sub> is reduced by 0.43 eV, and the conduction band minimum and valence band maximum are reduced by 0.20 and 0.23 eV, respectively, compared to pure α-BiNbO<sub>4</sub>, with less driving force required for the redox reaction process and then an increased redox rate. The α-BiNbO<sub>4</sub> with W<sub>int</sub>+O<sub>vac</sub> defects with n-type conductivity has good photocatalytic activity in water splitting.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Synthesis of Biogenic Gd2ZnMnO6 Nanofibrous for Creation of 3-Aryl-2-oxazolidinones from Alkenes, Carbon Dioxide, and Amines 利用烯烃、二氧化碳和胺合成用于制造 3-芳基-2-恶唑烷酮的生物质 Gd2ZnMnO6 纳米纤维
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-21 DOI: 10.1007/s10562-024-04795-8
Shulong Liu, Xuechen Huang, Jinfeng Zhang
{"title":"Synthesis of Biogenic Gd2ZnMnO6 Nanofibrous for Creation of 3-Aryl-2-oxazolidinones from Alkenes, Carbon Dioxide, and Amines","authors":"Shulong Liu,&nbsp;Xuechen Huang,&nbsp;Jinfeng Zhang","doi":"10.1007/s10562-024-04795-8","DOIUrl":"10.1007/s10562-024-04795-8","url":null,"abstract":"<div><p>In this research, microorganisms were used to produce Gd<sub>2</sub>ZnMnO<sub>6</sub> NFs in a biological process instead of a chemical method as a nanocatalyst. Considering the capability of the microorganisms to synthesize nanofibrous (NFs) upon exposure to metal ions, microorganisms were employed to produce Gd<sub>2</sub>ZnMnO<sub>6</sub> NFs through a biological process. The utilization of chemical modification to fabricate environmentally friendly heterogeneous nanocatalysts has proven to be highly appealing in the context of synthesizing 3-aryl-2-oxazolidinones using alkenes, carbon dioxide, and amines in an aqueous solution. The role of diverse variables in the creation of 3-aryl-2-oxazolidinones has been thoroughly investigated. Notably, Gd<sub>2</sub>ZnMnO<sub>6</sub> NFs demonstrates remarkable efficiency in the production of 3-aryl-2-oxazolidinones due to its unique morphology. The morphology of Gd<sub>2</sub>ZnMnO<sub>6</sub> NFs contributed to the creation of a desirable outer layer for the creation of 3-aryl-2-oxazolidinones. The findings demonstrated that the utilization of Gd<sub>2</sub>ZnMnO<sub>6</sub> nanofibers positively impacts the effectiveness of the creation of 3-aryl-2-oxazolidinones. This can be attributed to the nanofibers' impressive mechanical and ionic internal characteristics, as well as their exceptional thermal sustainability and persistent colloidal sturdiness. Consequently, employing the host–guest method, the system could be regarded as an exemplary nanocatalyst. A diverse array of olefins was successfully transformed into desirable products, independent of the electronic nature of the substitutes. The involvement of heterogeneous mixtures did not impede the progression of the reaction. Moreover, the 3-aryl-2-oxazolidinones were easily distinguished from the Gd<sub>2</sub>ZnMnO<sub>6</sub> nanofibers, and the medium exhibited the ability to undergo multiple cycles of usage without experiencing a notable decline in their catalytic activity and selectivity. This approach offers notable advantages, including a strong economic capability and the potential to withstand functional groups.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div><p>Synthesis of biogenic Gd2ZnMnO6 nanofibrous for creation of 3-Aryl-2-oxazolidinones from alkenes, carbon dioxide, and aminesSynthesis of biogenic Gd2ZnMnO6 nanofibrous for creation of 3-Aryl-2-oxazolidinones from alkenes, carbon dioxide, and amines</p></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142452986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
The Photocatalytic Performance of JANUS SXSiN2 (X = Cr, Mo, W) Monolayers with Enhanced Carrier Migration 载流子迁移增强型 JANUS SXSiN2(X = 铬、钼、钨)单层的光催化性能
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-20 DOI: 10.1007/s10562-024-04818-4
Wei Cai, Yuhua Chi, Mengxin Ji, Qian Zhang, Hao Ren, Houyu Zhu, Wen Zhao, Wenyue Guo
{"title":"The Photocatalytic Performance of JANUS SXSiN2 (X = Cr, Mo, W) Monolayers with Enhanced Carrier Migration","authors":"Wei Cai,&nbsp;Yuhua Chi,&nbsp;Mengxin Ji,&nbsp;Qian Zhang,&nbsp;Hao Ren,&nbsp;Houyu Zhu,&nbsp;Wen Zhao,&nbsp;Wenyue Guo","doi":"10.1007/s10562-024-04818-4","DOIUrl":"10.1007/s10562-024-04818-4","url":null,"abstract":"<div><p>Efficient catalysts for separating electron–hole pairs are crucial for improving the quantum yield and activity of photocatalysts. This study systematically investigates the properties and performance of monolayers of Janus SXSiN<sub>2</sub> (X = Cr, Mo, W) using the first-principles computational methods. The research findings suggest that biaxial strain can induce an indirect-to-direct bandgap transition in Janus SXSiN<sub>2</sub> and can also modulate the bandgap and band edge positions. Surface vacancy defects play a critical role in enhancing the charge carrier separation ability of Janus SXSiN<sub>2</sub>, leading to remarkable photocatalytic performance. Moreover, the synergistic effect of biaxial strain and vacancy defects can significantly improve the catalytic performance for the HER. This study provides a theoretical foundation for further development of efficient two-dimensional Janus photocatalysts.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div><div><p>Biaxial strain can modulate the bandgap and band edge positions. Surface vacancy defects play a critical role in enhancing the charge carrier separation ability. Janus SXSiN2 exhibits excellent photocatalytic performance for the HER reaction due to the synergistic effects of strain and vacancy defects.</p></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142519069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 Silico Models for Prediction of Methanol Yield in CO2 Hydrogenation Reaction Using Cu-Based Catalysts 使用铜基催化剂预测 CO2 加氢反应中甲醇产率的硅学模型
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-19 DOI: 10.1007/s10562-024-04800-0
Vanjari Pallavi, Reddi Kamesh, K. Yamuna Rani
{"title":"In Silico Models for Prediction of Methanol Yield in CO2 Hydrogenation Reaction Using Cu-Based Catalysts","authors":"Vanjari Pallavi,&nbsp;Reddi Kamesh,&nbsp;K. Yamuna Rani","doi":"10.1007/s10562-024-04800-0","DOIUrl":"10.1007/s10562-024-04800-0","url":null,"abstract":"<p>CO<sub>2</sub> hydrogenation to methanol is instrumental in mitigating carbon emissions and providing a renewable source of clean fuel, methanol. Though Cu-based catalysts proved to be economical and efficient catalysts for this reaction, it has the disadvantage of low catalyst efficiency and sintering. In this study, we developed different six machine learning (ML) models for the prediction of methanol yield (%) from CO<sub>2</sub> hydrogenation for Cu-based catalysts. The gradient boost random trees model outperformed other ML models with accuracy R<sup>2</sup> and RMSE of 0.96, 0.71 on train data and 0.75, 1.75 on test data. Pressure, metal:support ratio, active metal composition, GHSV and reaction temperature were found to be influential parameters for optimization of methanol yield. The prediction capability of this model is also validated based on unseen experimental data with varied input parameters and the predictions are good enough with R<sup>2</sup> and RMSE of 0.9 and 1.14. Therefore, this model can be regarded as a valuable solution to guide experimental design without actual experimentation for Cu-based catalysts.</p>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Modification of Pt/SiO2 with Mg(OH)2 Improves Xylose to Xylulose Isomerization 用 Mg(OH)2 对 Pt/SiO2 进行改性可提高木糖到木酮糖的异构化效果
IF 2.3 4区 化学
Catalysis Letters Pub Date : 2024-09-17 DOI: 10.1007/s10562-024-04824-6
Wenxuan Li, Ming Chen, Yuanbo Song, Mengyu Jin, Dongsu Bi, Yalei Zhang, Zheng Shen
{"title":"Modification of Pt/SiO2 with Mg(OH)2 Improves Xylose to Xylulose Isomerization","authors":"Wenxuan Li,&nbsp;Ming Chen,&nbsp;Yuanbo Song,&nbsp;Mengyu Jin,&nbsp;Dongsu Bi,&nbsp;Yalei Zhang,&nbsp;Zheng Shen","doi":"10.1007/s10562-024-04824-6","DOIUrl":"10.1007/s10562-024-04824-6","url":null,"abstract":"<div><p>Sugar compounds are an important part of biomass resources, and their catalytic conversion can prepare a series of platform compounds, such as lactic acid and polyols. One of the key steps is the isomerization of aldoses to ketoses. However, finding a simple method to efficiently convert aldoses to ketoses remains a great challenge. Herein, we report a core–shell structured catalyst, Pt/SiO<sub>2</sub>@Mg(OH)<sub>2</sub>, for the efficient conversion of xylose as well as the further conversion of xylose to xylulose. Xylose, a five-carbon sugar unit with the highest content in biomass, was used as the object of study to determine the optimal reaction conditions in the aqueous system by adjusting the loading amount of Mg(OH)<sub>2</sub>, catalyst addition, reaction temperature, and reaction time: In the optimum aqueous conditions, the yield of xylulose was 23.61%. We also investigated the effect of solvent effects on the hydrothermal reaction and determined the optimal solvent ratio, the yield of xylulose reached 31.74% at H<sub>2</sub>O:MeOH (8:2). We anticipate that this research result can provide a theoretical basis and reference for the industrialized production of subsequent sugar isomerization.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":508,"journal":{"name":"Catalysis Letters","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信