Reaction mechanism investigation of furfural conversion to 2-methylfuran on Cu(111) surface
文献类型：期刊论文
| 作者 | Ren, Guoqing1; Huang, Ling2; Xu, Yan1; Mei, Hua1; Wang, Guiru2,3 |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2018-07-01 |
| 卷号 | 703页码:1-7 |
| DOI | 10.1016/j.cplett.2018.04.029 |
| 文献子类 | Article |
| 英文摘要 | Furfural is a key biomass-derived chemical to produce important biofuels, such as 2-methylfuran. The furfural conversion over Cu(1 1 1)/ZnO catalyst has been investigated by the catalytic evaluation experiments. In order to elucidate the reaction temperature-oriented selectivity, density functional theory calculations were used to study the furfural conversion over Cu(1 1 1) surface. Furfural alcohol forms via F-CHO + 2H -> F-CH2O + H -> F-CH2OH, and 2-methylfuran forms via dehydration of furfuryl alcohol (F-CH2OH + 2H -> F-CH2 + OH+ 2H -> F-CH3 + OH + H -> F-CH3 + H2O). Furthermore, the reaction rates at different temperature (403, 453 and 503 K) have been calculated. As a result, high temperature plays a significant role in enhancing the reaction rate and prompting the reaction selectivity towards 2-methylfuran. (C) 2018 Published by Elsevier B.V. |
| WOS关键词 | TRANSITION-METAL SURFACES ; CATALYTIC CONVERSION ; PROMISING PLATFORM ; REACTION PATHWAYS ; FUEL ADDITIVES ; P-31 NMR ; BIOMASS ; CHEMICALS ; ENERGY ; HYDROGENATION |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000433247400001 |
| 资助机构 | National Natural Science Foundation of China(21571103 ; National Natural Science Foundation of China(21571103 ; Major Natural Science Projects of the Jiangsu Higher Education Institution(16KJA150005) ; Major Natural Science Projects of the Jiangsu Higher Education Institution(16KJA150005) ; 51503222) ; 51503222) ; National Natural Science Foundation of China(21571103 ; National Natural Science Foundation of China(21571103 ; Major Natural Science Projects of the Jiangsu Higher Education Institution(16KJA150005) ; Major Natural Science Projects of the Jiangsu Higher Education Institution(16KJA150005) ; 51503222) ; 51503222) |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/12051]  |
| 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.Nanjing Tech Univ, Coll Chem Engn, Nanjing 210009, Jiangsu, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Natl Ctr Magnet Resonance Wuhan, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Hubei, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren, Guoqing,Huang, Ling,Xu, Yan,et al. Reaction mechanism investigation of furfural conversion to 2-methylfuran on Cu(111) surface[J]. CHEMICAL PHYSICS LETTERS,2018,703:1-7. |
| APA | Ren, Guoqing,Huang, Ling,Xu, Yan,Mei, Hua,&Wang, Guiru.(2018).Reaction mechanism investigation of furfural conversion to 2-methylfuran on Cu(111) surface.CHEMICAL PHYSICS LETTERS,703,1-7. |
| MLA | Ren, Guoqing,et al."Reaction mechanism investigation of furfural conversion to 2-methylfuran on Cu(111) surface".CHEMICAL PHYSICS LETTERS 703(2018):1-7. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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