External or internal surface of H-ZSM-5 zeolite, which is more effective for the Beckmann rearrangement reaction?
文献类型：期刊论文
| 作者 | Yi, Xianfeng1,2; Huang, Ling2; Li, Guangchao1,2; Chu, Yueying2; Deng, Feng2; Zheng, Anmin2; Xia, Hongqiang2 |
| 刊名 | CATALYSIS SCIENCE & TECHNOLOGY
 |
| 出版日期 | 2017-06-21 |
| 卷号 | 7期号:12页码:2512-2523 |
| DOI | 10.1039/c7cy00377c |
| 文献子类 | Article |
| 英文摘要 | Zeolites are effective catalysts for amide formation from oxime through the Beckmann rearrangement (BR) reaction; however, debates about which surface (i.e. external or internal) is more effective for the BR reaction over zeolites still remain. In this contribution, the effective rate constants (keff) are used to quantitatively evaluate the dependence of BR reactivity on the Bronsted acid location in H-ZSM-5 zeolite. Based on our theoretical calculations, it was found that in addition to the dimension size of oxime reactants and reaction temperature, the BR reaction is strongly dependent on the location of Bronsted acid sites. For the cyclohexanone oxime rearrangement, the reaction exclusively occurs on the internal surface of ZSM-5 zeolite at room temperature, while the active sites are those located at the pore mouth or on the external surface when the reaction temperature increases to 598 K. In contrast to cyclohexanone oxime, the Bronsted acid sites on the internal surface are kinetically more effective at room temperature or 598 K for the smaller acetoxime BR reaction. |
| WOS关键词 | DENSITY-FUNCTIONAL THEORY ; TO-OLEFINS CONVERSION ; SOLID ACID CATALYSTS ; CYCLOHEXANONE OXIME ; EPSILON-CAPROLACTAM ; ACTIVE-SITES ; 2-DIMENSIONAL ZEOLITES ; NMR-SPECTROSCOPY ; IONIC LIQUIDS ; MFI |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000403966900012 |
| 资助机构 | National Natural Science Foundation of China(21403290 ; National Natural Science Foundation of China(21403290 ; Natural Science Foundation of Hubei Province of China(2014CFA043) ; Natural Science Foundation of Hubei Province of China(2014CFA043) ; Key Research Program of Frontier Sciences, CAS(QYZDB-SSW-SLH026) ; Key Research Program of Frontier Sciences, CAS(QYZDB-SSW-SLH026) ; 21522310 ; 21522310 ; 21473244 ; 21473244 ; 91645112 ; 91645112 ; 21210005) ; 21210005) ; National Natural Science Foundation of China(21403290 ; National Natural Science Foundation of China(21403290 ; Natural Science Foundation of Hubei Province of China(2014CFA043) ; Natural Science Foundation of Hubei Province of China(2014CFA043) ; Key Research Program of Frontier Sciences, CAS(QYZDB-SSW-SLH026) ; Key Research Program of Frontier Sciences, CAS(QYZDB-SSW-SLH026) ; 21522310 ; 21522310 ; 21473244 ; 21473244 ; 91645112 ; 91645112 ; 21210005) ; 21210005) |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/11480]  |
| 专题 | 武汉物理与数学研究所_磁共振应用研究部 |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Natl Ctr Magnet Resonance Wuhan, Wuhan Inst Phys & Math, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yi, Xianfeng,Huang, Ling,Li, Guangchao,et al. External or internal surface of H-ZSM-5 zeolite, which is more effective for the Beckmann rearrangement reaction?[J]. CATALYSIS SCIENCE & TECHNOLOGY,2017,7(12):2512-2523. |
| APA | Yi, Xianfeng.,Huang, Ling.,Li, Guangchao.,Chu, Yueying.,Deng, Feng.,...&Xia, Hongqiang.(2017).External or internal surface of H-ZSM-5 zeolite, which is more effective for the Beckmann rearrangement reaction?.CATALYSIS SCIENCE & TECHNOLOGY,7(12),2512-2523. |
| MLA | Yi, Xianfeng,et al."External or internal surface of H-ZSM-5 zeolite, which is more effective for the Beckmann rearrangement reaction?".CATALYSIS SCIENCE & TECHNOLOGY 7.12(2017):2512-2523. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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