Soot oxidation performance of Cs-V-based non-noble catalyst used for diesel particulate filter and its regeneration performance by La doping

IF 3.9 2区 化学 Q2 CHEMISTRY, PHYSICAL
Yunhua Zhang, Yaoxin Xu, Sen Zheng, Diming Lou, Liang Fang
{"title":"Soot oxidation performance of Cs-V-based non-noble catalyst used for diesel particulate filter and its regeneration performance by La doping","authors":"Yunhua Zhang,&nbsp;Yaoxin Xu,&nbsp;Sen Zheng,&nbsp;Diming Lou,&nbsp;Liang Fang","doi":"10.1016/j.mcat.2025.114998","DOIUrl":null,"url":null,"abstract":"<div><div>The catalytic diesel particulate filter (CDPF) has consistently been a standard setup for diesel engines. This research introduces and enhances a non-noble metal catalyst, Cs-V, by doping with the rare-earth element La for the CDPF. The impact of La doping on the Cs-V-based soot oxidation catalyst was quantitatively studied using physical and chemical analysis, activity testing, and density functional theory (DFT) techniques. Findings indicated that introducing La into the Cs-V-based non-noble metal catalyst led to an increase in both the surface area and pore volume by 41 % and 18.4 %, respectively. The addition of La enhanced both the clustering and spatial distribution of catalyst particles, positively impacting absorption and catalytic activity. Doping with La significantly increased the chances of oxygen adsorption and dissociation activation in catalytic processes, enhancing the chance of soot-oxidation, lowering the activation energy to 62.1 kJ/mol, and decreasing T<sub>10</sub>(the temperature at which the conversion rate of soot begins to reach 10 %), T<sub>90</sub>(the temperature at which the conversion rate of soot reaches 90 %), and, T<sub>m</sub>(the peak temperature at which the conversion rate of soot reaches) by 70.2 °C, 66.9 °C, and 69.1 °C respectively in contrast to their un-doped counterparts, while concurrently, La doping led to an average 4.5 % boost in the CDPF regeneration effectiveness. DFT simulation indicated that La doping can weaken the bonding between O atoms, lengthen the bond length between V atoms and solid O<sub>asd</sub> within the crystal cell, shorten the bond length between V atoms and solid O<sub>asd</sub> with C<sub>4</sub> molecules, increase the electronegativity of the configuration O<sub>asd</sub>, and make the chemical bonds formed by V*-O* more inclined towards ionic bonds, these changes promote the desorption of -CO<sub>x</sub> groups during soot-oxidation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"578 ","pages":"Article 114998"},"PeriodicalIF":3.9000,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468823125001841","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

The catalytic diesel particulate filter (CDPF) has consistently been a standard setup for diesel engines. This research introduces and enhances a non-noble metal catalyst, Cs-V, by doping with the rare-earth element La for the CDPF. The impact of La doping on the Cs-V-based soot oxidation catalyst was quantitatively studied using physical and chemical analysis, activity testing, and density functional theory (DFT) techniques. Findings indicated that introducing La into the Cs-V-based non-noble metal catalyst led to an increase in both the surface area and pore volume by 41 % and 18.4 %, respectively. The addition of La enhanced both the clustering and spatial distribution of catalyst particles, positively impacting absorption and catalytic activity. Doping with La significantly increased the chances of oxygen adsorption and dissociation activation in catalytic processes, enhancing the chance of soot-oxidation, lowering the activation energy to 62.1 kJ/mol, and decreasing T10(the temperature at which the conversion rate of soot begins to reach 10 %), T90(the temperature at which the conversion rate of soot reaches 90 %), and, Tm(the peak temperature at which the conversion rate of soot reaches) by 70.2 °C, 66.9 °C, and 69.1 °C respectively in contrast to their un-doped counterparts, while concurrently, La doping led to an average 4.5 % boost in the CDPF regeneration effectiveness. DFT simulation indicated that La doping can weaken the bonding between O atoms, lengthen the bond length between V atoms and solid Oasd within the crystal cell, shorten the bond length between V atoms and solid Oasd with C4 molecules, increase the electronegativity of the configuration Oasd, and make the chemical bonds formed by V*-O* more inclined towards ionic bonds, these changes promote the desorption of -COx groups during soot-oxidation.

Abstract Image

求助全文
约1分钟内获得全文 求助全文
来源期刊
Molecular Catalysis
Molecular Catalysis Chemical Engineering-Process Chemistry and Technology
CiteScore
6.90
自引率
10.90%
发文量
700
审稿时长
40 days
期刊介绍: Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are: Heterogeneous catalysis including immobilized molecular catalysts Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis Photo- and electrochemistry Theoretical aspects of catalysis analyzed by computational methods
×
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×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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