nRu/FeCo2O4高选择性氧化HMF制备FDCA的结构匹配机理

IF 3.5 3区 工程技术 Q2 ENGINEERING, CHEMICAL AIChE Journal Pub Date : 2024-12-08 DOI:10.1002/aic.18671
Qiong-Yu Wang, Yucheng Zhu, Run Jiang, Gan He, Jun Zhao, Jun Hu, Tao Liu, Honghai Liu, Siew-Leng Loo, Zhong Chen, Jie-Xin Wang, Zhiyan Pan, Xiaonian Li, Dapeng Cao, Zhong-Ting Hu
{"title":"nRu/FeCo2O4高选择性氧化HMF制备FDCA的结构匹配机理","authors":"Qiong-Yu Wang, Yucheng Zhu, Run Jiang, Gan He, Jun Zhao, Jun Hu, Tao Liu, Honghai Liu, Siew-Leng Loo, Zhong Chen, Jie-Xin Wang, Zhiyan Pan, Xiaonian Li, Dapeng Cao, Zhong-Ting Hu","doi":"10.1002/aic.18671","DOIUrl":null,"url":null,"abstract":"The selective oxidation of 5-hydroxymethylfurfural (HMF) toward 2,5-furandicarboxylic acid (FDCA) offers a promising green pathway to obtain monomers for the synthesis of biodegradable plastics. However, developing a high-selectivity catalyst and understanding the catalytic mechanism are still great challenge. Here, we synthesize a nRu/FeCo<sub>2</sub>O<sub>4</sub> catalyst with Ru nanoparticles loaded on FeCo<sub>2</sub>O<sub>4</sub>. The nRu/FeCo<sub>2</sub>O<sub>4</sub> presents excellent HMF oxidation activity with 100% HMF conversion efficiency and 99% FDCA yield under optimized conditions. Density-functional theory calculations further reveal the structure matching mechanism of nRu/FeCo<sub>2</sub>O<sub>4</sub> for high-selective oxidation of HMF toward FDCA, that is, Ru loading in FeCo<sub>2</sub>O<sub>4</sub> provides a more suitable structure matching configuration for adsorption of two-side chains in HMF, which could optimize the adsorption energy and thus increase reactivity. In short, this work provides a promising structure matching strategy for designing dual-active-site relay catalyst to oxidize -CHO and C-OH groups in HMF and thus achieve highly-selective oxidation of HMF toward FDCA.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":"12 1","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Structure matching mechanism of nRu/FeCo2O4 for highly-selective oxidation of HMF toward FDCA\",\"authors\":\"Qiong-Yu Wang, Yucheng Zhu, Run Jiang, Gan He, Jun Zhao, Jun Hu, Tao Liu, Honghai Liu, Siew-Leng Loo, Zhong Chen, Jie-Xin Wang, Zhiyan Pan, Xiaonian Li, Dapeng Cao, Zhong-Ting Hu\",\"doi\":\"10.1002/aic.18671\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The selective oxidation of 5-hydroxymethylfurfural (HMF) toward 2,5-furandicarboxylic acid (FDCA) offers a promising green pathway to obtain monomers for the synthesis of biodegradable plastics. However, developing a high-selectivity catalyst and understanding the catalytic mechanism are still great challenge. Here, we synthesize a nRu/FeCo<sub>2</sub>O<sub>4</sub> catalyst with Ru nanoparticles loaded on FeCo<sub>2</sub>O<sub>4</sub>. The nRu/FeCo<sub>2</sub>O<sub>4</sub> presents excellent HMF oxidation activity with 100% HMF conversion efficiency and 99% FDCA yield under optimized conditions. Density-functional theory calculations further reveal the structure matching mechanism of nRu/FeCo<sub>2</sub>O<sub>4</sub> for high-selective oxidation of HMF toward FDCA, that is, Ru loading in FeCo<sub>2</sub>O<sub>4</sub> provides a more suitable structure matching configuration for adsorption of two-side chains in HMF, which could optimize the adsorption energy and thus increase reactivity. In short, this work provides a promising structure matching strategy for designing dual-active-site relay catalyst to oxidize -CHO and C-OH groups in HMF and thus achieve highly-selective oxidation of HMF toward FDCA.\",\"PeriodicalId\":120,\"journal\":{\"name\":\"AIChE Journal\",\"volume\":\"12 1\",\"pages\":\"\"},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2024-12-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"AIChE Journal\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1002/aic.18671\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"AIChE Journal","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1002/aic.18671","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0

摘要

5-羟甲基糠醛(HMF)选择性氧化生成2,5-呋喃二羧酸(FDCA)为合成生物降解塑料提供了一条有前途的绿色途径。然而,开发高选择性催化剂和了解催化机理仍然是一个巨大的挑战。在此,我们将Ru纳米颗粒负载在FeCo2O4上,合成了一种nRu/FeCo2O4催化剂。在优化条件下,nRu/FeCo2O4具有优异的HMF氧化活性,HMF转化率为100%,FDCA产率为99%。密度泛函理论计算进一步揭示了nRu/FeCo2O4对HMF向FDCA高选择性氧化的结构匹配机制,即FeCo2O4中Ru的负载为HMF的双侧链吸附提供了更合适的结构匹配配置,从而优化吸附能,从而提高反应活性。总之,这项工作为设计双活性位点接力催化剂氧化HMF中的-CHO和C-OH基团,从而实现HMF对FDCA的高选择性氧化提供了一种有前途的结构匹配策略。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Structure matching mechanism of nRu/FeCo2O4 for highly-selective oxidation of HMF toward FDCA
The selective oxidation of 5-hydroxymethylfurfural (HMF) toward 2,5-furandicarboxylic acid (FDCA) offers a promising green pathway to obtain monomers for the synthesis of biodegradable plastics. However, developing a high-selectivity catalyst and understanding the catalytic mechanism are still great challenge. Here, we synthesize a nRu/FeCo2O4 catalyst with Ru nanoparticles loaded on FeCo2O4. The nRu/FeCo2O4 presents excellent HMF oxidation activity with 100% HMF conversion efficiency and 99% FDCA yield under optimized conditions. Density-functional theory calculations further reveal the structure matching mechanism of nRu/FeCo2O4 for high-selective oxidation of HMF toward FDCA, that is, Ru loading in FeCo2O4 provides a more suitable structure matching configuration for adsorption of two-side chains in HMF, which could optimize the adsorption energy and thus increase reactivity. In short, this work provides a promising structure matching strategy for designing dual-active-site relay catalyst to oxidize -CHO and C-OH groups in HMF and thus achieve highly-selective oxidation of HMF toward FDCA.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
AIChE Journal
AIChE Journal 工程技术-工程:化工
CiteScore
7.10
自引率
10.80%
发文量
411
审稿时长
3.6 months
期刊介绍: The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering. The AIChE Journal is indeed the global communications vehicle for the world-renowned researchers to exchange top-notch research findings with one another. Subscribing to the AIChE Journal is like having immediate access to nine topical journals in the field. Articles are categorized according to the following topical areas: Biomolecular Engineering, Bioengineering, Biochemicals, Biofuels, and Food Inorganic Materials: Synthesis and Processing Particle Technology and Fluidization Process Systems Engineering Reaction Engineering, Kinetics and Catalysis Separations: Materials, Devices and Processes Soft Materials: Synthesis, Processing and Products Thermodynamics and Molecular-Scale Phenomena Transport Phenomena and Fluid Mechanics.
期刊最新文献
Gas hydrates in future food production: A comprehensive review of the potential of an emerging technology An atomically economical and environmentally benign approach for the scalable synthesis of rare-earth metal-organic framework catalysts On-aim generation of monodisperse droplets from piezoelectric pulsation-driven glass nozzles Breaking barriers for academic-industry sabbaticals Investigation of hydrogen spillover in atomically dispersed metal on WO3 for selective hydrogenation
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1