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Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation
Hu, Chaoquan1; Sun, Jiahan1; Wang, Dongjie2; Peng, Mi3; Shao, Mingyuan1,4; Zhu, Qingshan1,4; Ma, Ding3
2019-07-16
Source PublicationCHEMPHYSCHEM
ISSN1439-4235
Volume20Issue:14Pages:1804-1811
AbstractAlloying Pt with other metals is an effective strategy to tune its performance towards selective hydrogenation reactions. Herein, we have demonstrated a process to screen Pt-based alloys for inhibition of butadiene over-hydrogenation with a model comprising isolated single atoms (ISA) embedded into Pt(111). DFT calculations reveal that the diffusion energy barrier of H co-adsorbed with 1-butene is a key parameter for the screening. The output from the ISA model was validated by testing several typical Pt-based alloys towards butadiene hydrogenation. Furthermore, an unexpected higher selectivity to cis-2-butene compared to the trans isomer and 1-butene over the PtZn alloy was explored employing the ISA model.
Keywordbutadiene catalyst design heterogeneous catalysis hydrogenation platinum
DOI10.1002/cphc.201900380
Language英语
WOS KeywordSELECTIVE HYDROGENATION ; CATALYTIC-PROPERTIES ; 1,3-BUTADIENE HYDROGENATION ; INTERMETALLIC COMPOUNDS ; UNSATURATED ALDEHYDES ; STRUCTURAL-CHANGES ; RHODIUM CATALYSTS ; REACTION PATHWAYS ; IN-SITU ; PLATINUM
Funding ProjectNational Natural Science Foundation of China (NFSC)[21606236] ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS)[COM2016A001] ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS)[MPCS-2017-A-02]
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding OrganizationNational Natural Science Foundation of China (NFSC) ; Center for Mesoscience, Institute of Process Engineering (IPE), Chinese Academy of Sciences (CAS)
WOS IDWOS:000476917100005
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/30483
Collection中国科学院过程工程研究所
Corresponding AuthorHu, Chaoquan; Zhu, Qingshan; Ma, Ding
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China
3.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Hu, Chaoquan,Sun, Jiahan,Wang, Dongjie,et al. Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation[J]. CHEMPHYSCHEM,2019,20(14):1804-1811.
APA Hu, Chaoquan.,Sun, Jiahan.,Wang, Dongjie.,Peng, Mi.,Shao, Mingyuan.,...&Ma, Ding.(2019).Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation.CHEMPHYSCHEM,20(14),1804-1811.
MLA Hu, Chaoquan,et al."Hydrogen Diffusion Guided Design of Pt-Based Alloys for Inhibition of Butadiene Over-Hydrogenation".CHEMPHYSCHEM 20.14(2019):1804-1811.
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