Citation: YU Shan-Qing, TIAN Hui-Ping, ZHU Yu-Xia, DAI Zhen-Yu, LONG Jun. Mechanism of Rare Earth Cations on the Stability and Acidity of Y Zeolites[J]. Acta Physico-Chimica Sinica, ;2011, 27(11): 2528-2534. doi: 10.3866/PKU.WHXB20111101 shu

Mechanism of Rare Earth Cations on the Stability and Acidity of Y Zeolites

1.
Research Institute of Petroleum Processing, SINOPEC, Beijing 100083, P. R. China

Received Date: 17 May 2011
Available Online: 26 August 2011
Fund Project: 国家重点基础研究发展规划项目(973) (2010CB732301)资助 (973) (2010CB732301)

The influences of rare earth (RE) cations on the stability and acidity of Y zeolites were studied by X-ray powder diffraction (XRD), solid-state magic-angle spinning nuclear magnetic resonance spectroscopy (MAS NMR), temperature-programmed desorption (TPD) of ammonia, and Fourier transform infrared of pyridine (Py-FTIR). The results showed that the stability of Y zeolites was enhanced markedly and the medium acid amount increased, but the strong acid amount of Y zeolites decreased with the introduction of RE cations. Combined with the density functional theory (DFT) calculations, a comprehensive model was proposed to describe the mechanism of RE cations on the stability and acidity of Y zeolites. RE cations located at the sodalite β cage I' sites of Y zeolites bonded strongly with O atoms, which strengthened the interaction between framework Al and its neighbouring O atoms and then enhanced evidently the stability of Y zeolites. It was the enhanced stability of REHY zeolites that restrained the release of framework Al and the formation of extra-framework Al, hence led to weaker Brönsted acid strength of REHY than that of USY. Meanwhile, RE cations located at the sodalite β cage I' sites of Y zeolites made the negative charge of O1 reduce and the bond length of Al―O1 shorten, which resulted in stronger Brönsted acid strength of REHY than that of HY. Moreover, the Bro? nsted acid amount of REHY was more than that of USY, but less than that of HY.
- Density functional theory,
- Y zeolite,
- Rare earth,
- Acidity,
- Stability
1. [1]
  (1) Plank, C. J. ACS Synmposium Series 1983, 222, 253.
2. [2]
  (2) Ward, J.W. J. Phys. Chem. 1969, 73, 2086.
3. [3]
  (3) García, P.; Lima, E.; Aguilar, J.; Lara, V. Catal. Lett. 2009, 128: 385.
4. [4]
  (4) Li, B.; Li, Sh. J.; Li, N.; Liu, C. H.; Gao, X. H.; Pang, X. M. Chin. J. Catal. 2005, 26, 301. [李斌, 李士杰, 李能, 刘从华, 高雄厚, 庞新梅. 催化学报, 2005, 26, 301.]
5. [5]
  (5) Martins, G. V. A.; Berlier, G.; Bisio, C.; Coluccia, S.; Pastore, H. O.; Marchese, L. J. Phy. Chem. C 2008, 112, 7193.
6. [6]
  (6) Sastre, G.; Fornes, V.; Corma, A. J. Phys. Chem. B 2000, 104, 4349.
7. [7]
  (7) Wang, Y.; Zhuang, J. G.; Yang, G.; Zhou, D. H.; Ma, D.; Han, X.W.; Bao, X. H. J. Phys. Chem. B 2004, 108, 1386.
8. [8]
  (8) Zhou, D. H.; Bao, Y.; Yang, M. M.; He, N.; Yang, G. J. Mole. Catal. A 2006, 244, 11.
9. [9]
  (9) Noda, T.; Suzuki, K.; Katada, N.; Niwa, M. J. Catal. 2008, 259, 203.
10. [10]
  (10) Xue, Z. Y.; Zhu, L. M.; Dai, L. S. Acta Phys. -Chim. Sin. 1990, 6, 183. [薛志元, 朱雷明, 戴林森. 物理化学学报, 1990, 6, 183.]
11. [11]
  (11) Fan, M. G.; Li, B.; Zhang, F. Y.; Li,W. L.; Xing, J. M.; Liu, Z. L. Acta Phys. -Chim. Sin. 2009, 25, 495. [范闽光, 李斌, 张飞跃, 李望良, 邢建民, 刘自力. 物理化学学报, 2009, 25, 495.]
12. [12]
  (12) Zheng, A. M.; Huang, S. J.; Chen,W. H.;Wu, P. H.; Zhang, H. L.; Lee, H. K.; Menorval, L.; Deng, F.; Liu, S. B. J. Phys. Chem. A 2008, 112, 7349.
13. [13]
  (13) Yang, G.;Wang, Y.; Zhou, D. H.; Zhuang, J. Q.; Liu, X. C.; Han, X.W.; Bao, X. H. Acta. Phys. -Chim. Sin. 2004, 20, 60. [杨刚, 王妍, 周丹红, 庄建勤, 刘宪春, 韩秀文, 包信和. 物理化学学报, 2004, 20, 60.]
14. [14]
  (15) Nery, J. G.; Mascarenhas, Y. P.; Bonagamba, T. J.; Mello, N. C.; Souza-Aguiar, E. F. Zeolites 1996, 18, 44.
15. [15]
  (16) Czjzek, M.; Vogt, T.; Fuess, H. A. Zeolites 1991, 11, 832.
16. [16]
  (17) Stave, M. S.; Nicholas, J. B. J. Phys. Chem. B 1995, 99, 15046.
17. [17]
  (18) Zhang, Z. P.; Zhu, X. M.; Ma, Y. L. J. Guizhou University (Natural Science) 1990, 7, 29. [张朝平, 朱贤明, 马彦丽. 贵州大学学报(自然科学版), 1990, 7, 29.]
18. [18]
  (19) Olson, D. H.; Kokotailo, G. T.; Chamell, J. F. J. Colloid Interface Sci. 1968, 28, 305.
19. [19]
  (20) Li, X.W.; Yu, L. Q.; Liu, X. Y. Chin. J. Catal. 1982, 3, 34. [李宣文, 余励勤, 刘兴云. 催化学报, 1982, 3, 34.]
20. [20]
  (21) Dempsey, E. J. Catal. 1975, 39, 155.
21. [21]
  (22) Xu, B.; Bordiga, S.; Prins, R. Appl. Catal. A 2007, 333, 245.
22. [22]
  (23) Li, S. H.; Huang, S. J.; Shen,W. L.; Zhang, H. L.; Fang, H. J.; Zheng, A. M.; Liu, S. B.; Deng, F. J. Phys. Chem. C 2008, 112, 14486.
23. [23]
  (24) Mirodatos, C.; Bathomeuf, D. J. Chem. Soc. Chem. Commun. 1981, 2, 39
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