• Scientific Research •

La和Ce调变Y分子筛性能的差异及其密度泛函理论研究

1. 1. 石油化工科学研究院14室
2. 石油化工科学研究院
• 收稿日期:2010-07-16 修回日期:2010-11-01 出版日期:2011-03-31
• 通讯作者: 于善青

Different Influences of Lanthanum and Cerium on Stability of Y Zeolite and Their Theoretical Calculations of DFT

• Received:2010-07-16 Revised:2010-11-01 Online:2011-03-31

Abstract: In this paper, the different influence of Lanthanum and Cerium cation on the stability of Y zeolite was studied by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), multinuclear (27Al, 29Si) solid-state nuclear magnetic resonance spectroscopy (NMR). It was found that although the stabilization of Y zeolite could be enhanced by the introduction of Lanthanum or Cerium cation, the former was more remarkable than the later. These results were also confirmed theoretically by density functional calculations. There was a strong interaction between rare earth species and Y zeolite clusters, which restrained the formation of extra-framework alumina and enhanced evidently the stability of Y zeolite. Furthermore, the interaction between Lanthanum species and Y zeolite was stronger.