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Efficient Synthesis of Ethanol from CH4 and Syngas on a Cu-Co/TiO2 Catalyst Using a Stepwise Reactor
Zuo, Zhi-Jun1; Peng, Fen1,2; Huang, Wei1
2016-10-03
发表期刊SCIENTIFIC REPORTS
卷号6
摘要Ethanol synthesis from CH4 and syngas on a Cu-Co/TiO2 catalyst is studied using experiments, density functional theory (DFT) and microkinetic modelling. The experimental results indicate that the active sites of ethanol synthesis from CH4 and syngas are Cu and CoO, over which the ethanol selectivity is approximately 98.30% in a continuous stepwise reactor. DFT and microkinetic modelling results show that *CH3 is the most abundant species and can be formed from *CH4 dehydrogenation or through the process of *CO hydrogenation. Next, the insertion of *CO into *CH3 forms *CH3CO. Finally, ethanol is formed through *CH3CO and *CH3COH hydrogenation. According to our results, small particles of metallic Cu and CoO as well as a strongly synergistic effect between metallic Cu and CoO are beneficial for ethanol synthesis from CH4 and syngas on a Cu-Co/TiO2 catalyst.
文章类型Article
WOS标题词Science & Technology
资助者National Basic Research Program of China(2011CB211709) ; key project of the National Natural Science Foundation of China(21336006) ; National Natural Science Foundation of China(21176167 ; key project of Basic Industrial Research of Shanxi(201603D121014) ; Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi ; 21306125) ; National Basic Research Program of China(2011CB211709) ; key project of the National Natural Science Foundation of China(21336006) ; National Natural Science Foundation of China(21176167 ; key project of Basic Industrial Research of Shanxi(201603D121014) ; Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi ; 21306125)
DOI10.1038/srep34670
研究领域[WOS]Science & Technology - Other Topics
关键词[WOS]DENSITY-FUNCTIONAL THEORY ; TEMPERATURE WGS REACTION ; PEROVSKITE-TYPE OXIDES ; CU-BASED CATALYSTS ; METHANOL DECOMPOSITION ; HYDROGEN-PRODUCTION ; HIGHER ALCOHOLS ; THIN-FILMS ; CO ; CONVERSION
收录类别SCI
语种英语
资助者National Basic Research Program of China(2011CB211709) ; key project of the National Natural Science Foundation of China(21336006) ; National Natural Science Foundation of China(21176167 ; key project of Basic Industrial Research of Shanxi(201603D121014) ; Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi ; 21306125) ; National Basic Research Program of China(2011CB211709) ; key project of the National Natural Science Foundation of China(21336006) ; National Natural Science Foundation of China(21176167 ; key project of Basic Industrial Research of Shanxi(201603D121014) ; Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi ; 21306125)
WOS类目Multidisciplinary Sciences
WOS记录号WOS:000385058600001
引用统计
被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/13949
专题中国科学院广州能源研究所
作者单位1.Taiyuan Univ Technol, Minist Educ & Shanxi Prov, Key Lab Coal Sci & Technol, Taiyuan 030024, Shanxi, Peoples R China
2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Renewable Energy & Gas Hydrate, Guangzhou, Guangdong, Peoples R China
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GB/T 7714
Zuo, Zhi-Jun,Peng, Fen,Huang, Wei. Efficient Synthesis of Ethanol from CH4 and Syngas on a Cu-Co/TiO2 Catalyst Using a Stepwise Reactor[J]. SCIENTIFIC REPORTS,2016,6.
APA Zuo, Zhi-Jun,Peng, Fen,&Huang, Wei.(2016).Efficient Synthesis of Ethanol from CH4 and Syngas on a Cu-Co/TiO2 Catalyst Using a Stepwise Reactor.SCIENTIFIC REPORTS,6.
MLA Zuo, Zhi-Jun,et al."Efficient Synthesis of Ethanol from CH4 and Syngas on a Cu-Co/TiO2 Catalyst Using a Stepwise Reactor".SCIENTIFIC REPORTS 6(2016).
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