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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
Source PublicationSCIENTIFIC REPORTS
Volume6
AbstractEthanol 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.
SubtypeArticle
WOS HeadingsScience & Technology
DOI10.1038/srep34670
WOS Subject ExtendedScience & Technology - Other Topics
WOS KeywordDENSITY-FUNCTIONAL THEORY ; TEMPERATURE WGS REACTION ; PEROVSKITE-TYPE OXIDES ; CU-BASED CATALYSTS ; METHANOL DECOMPOSITION ; HYDROGEN-PRODUCTION ; HIGHER ALCOHOLS ; THIN-FILMS ; CO ; CONVERSION
Indexed BySCI
Language英语
Funding OrganizationNational 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 SubjectMultidisciplinary Sciences
WOS IDWOS:000385058600001
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Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/13949
Collection中国科学院广州能源研究所
Affiliation1.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
Recommended Citation
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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