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Citation: Yang Gang, Wang Yan, Zhou Dan-Hong, Zhuang Jian-Qin, Liu Xian-Chun, Han Xiu-Wen, Bao Xin-He. Investigation on the Thermal Stability of La/ZSM-5 Zeolite and the La^3＋ Species[J]. Acta Physico-Chimica Sinica, ;2004, 20(01): 60-64. doi: 10.3866/PKU.WHXB20040113 shu

Investigation on the Thermal Stability of La/ZSM-5 Zeolite and the La^3＋ Species

1.
State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences　116023; Department of Chemistry, Liaoning Normal University, Dalian　116029

Received Date: 30 June 2003
Available Online: 15 January 2004

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.
- ZSM-5;LaO(OH);La(OH)₂^＋;Density functional;　Thermal stability
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Investigation on the Thermal Stability of La/ZSM-5 Zeolite and the La3＋ Species

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Investigation on the Thermal Stability of La/ZSM-5 Zeolite and the La^3＋ Species