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题名: Investigation on the thermal stability of La/ZSM-5 zeolite and the La3+ species
作者: Yang, G;  Wang, Y;  Zhou, DH;  Zhuang, JQ;  Liu, XC;  Han, XW;  Bao, XH
关键词: ZSM-5 ;  LaO (OH) ;  La(OH)(2)(+) ;  density functional ;  thermal stability
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 2004
DOI: 10.3866/PKU.WHXB20040113
卷: 20, 期:1, 页:60-64
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: By density functional calculations, it was confirmed that for the reaction of RSCC (residual oil selective catalytic cracking), the catalysts such as zeolite ZSM-5 will endure an enhanced thermal stability when some La3+ ions are introduced. Due to the strong interaction between La3+ and the zeolite, the Al - O bond, which would have been easily broken, gets stronger and the process of dealumination is thus effectively retarded. Through the reduction of La(OH)(2)(+)when heated, LaO(OH) is most likely formed, which can interact with zeolite ZSM-5 and turns out to the structure of Z - La (OH)(2)(+) or Z-LaO (OH) after geometrical optimization. Z - La (OH)(2)(+) remains stable under normal conditions; however, as the temperature is raised, it will change slowly into Z-LaO(OH), which stays stable at high temperature. The La3+ ion in Z-LaO (OH) can offer Lewis acid as the active site for reactions, we believe that this result can provide valuable insight into the elucidation of catalytic mechanism.
关键词[WOS]: COORDINATION ;  LANTHANUM ;  BEHAVIOR ;  CATIONS ;  ZSM-5 ;  STATE
语种: 英语
WOS记录号: WOS:000188394000013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139288
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
2.Liaoning Normal Univ, Dept Chem, Dalian 116029, Peoples R China

Recommended Citation:
Yang, G,Wang, Y,Zhou, DH,et al. Investigation on the thermal stability of La/ZSM-5 zeolite and the La3+ species[J]. ACTA PHYSICO-CHIMICA SINICA,2004,20(1):60-64.
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