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
1. [1]
  Hao XU , Ruopeng LI , Peixia YANG , Anmin LIU , Jie BAI . Regulation mechanism of halogen axial coordination atoms on the oxygen reduction activity of Fe-N₄ site: A density functional theory study. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 695-701. doi: 10.11862/CJIC.20240302
2. [2]
  Shitao Fu , Jianming Zhang , Cancan Cao , Zhihui Wang , Chaoran Qin , Jian Zhang , Hui Xiong . Study on the Stability of Purple Cabbage Pigment. University Chemistry, 2024, 39(4): 367-372. doi: 10.3866/PKU.DXHX202401059
3. [3]
  Hailian Tang , Siyuan Chen , Qiaoyun Liu , Guoyi Bai , Botao Qiao , Fei Liu . Stabilized Rh/hydroxyapatite Catalyst for Furfuryl Alcohol Hydrogenation: Application of Oxidative Strong Metal-Support Interactions in Reducing Conditions. Acta Physico-Chimica Sinica, 2025, 41(4): 100036-. doi: 10.3866/PKU.WHXB202408004
4. [4]
  Jiaxi Xu , Yuan Ma . Influence of Hyperconjugation on the Stability and Stable Conformation of Ethane, Hydrazine, and Hydrogen Peroxide. University Chemistry, 2024, 39(11): 374-377. doi: 10.3866/PKU.DXHX202402049
5. [5]
  Xuyang Wang , Jiapei Zhang , Lirui Zhao , Xiaowen Xu , Guizheng Zou , Bin Zhang . Theoretical Study on the Structure and Stability of Copper-Ammonia Coordination Ions. University Chemistry, 2024, 39(3): 384-389. doi: 10.3866/PKU.DXHX202309065
6. [6]
  Meifeng Zhu , Jin Cheng , Kai Huang , Cheng Lian , Shouhong Xu , Honglai Liu . Classical Density Functional Theory for Understanding Electrochemical Interface. University Chemistry, 2025, 40(3): 148-152. doi: 10.12461/PKU.DXHX202405166
7. [7]
  Kaifu Zhang , Shan Gao , Bin Yang . Application of Theoretical Calculation with Fun Practice in Raman Spectroscopy Experimental Teaching. University Chemistry, 2025, 40(3): 62-67. doi: 10.12461/PKU.DXHX202404045
8. [8]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
9. [9]
  Jie ZHAO , Huili ZHANG , Xiaoqing LU , Zhaojie WANG . Theoretical calculations of CO₂ capture and separation by functional groups modified 2D covalent organic framework. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 275-283. doi: 10.11862/CJIC.20240213
10. [10]
  Baitong Wei , Jinxin Guo , Xigong Liu , Rongxiu Zhu , Lei Liu . Theoretical Study on the Structure, Stability of Hydrocarbon Free Radicals and Selectivity of Alkane Chlorination Reaction. University Chemistry, 2025, 40(3): 402-407. doi: 10.12461/PKU.DXHX202406003
11. [11]
  Shanghua Li , Malin Li , Xiwen Chi , Xin Yin , Zhaodi Luo , Jihong Yu . 基于高离子迁移动力学的取向ZnQ分子筛保护层实现高稳定水系锌金属负极的构筑. Acta Physico-Chimica Sinica, 2025, 41(1): 2309003-. doi: 10.3866/PKU.WHXB202309003
12. [12]
  Bo YANG , Gongxuan LÜ , Jiantai MA . Corrosion inhibition of nickel-cobalt-phosphide in water by coating TiO₂ layer. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 365-384. doi: 10.11862/CJIC.20240063
13. [13]
  Xiaoning TANG , Junnan LIU , Xingfu YANG , Jie LEI , Qiuyang LUO , Shu XIA , An XUE . Effect of sodium alginate-sodium carboxymethylcellulose gel layer on the stability of Zn anodes. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1452-1460. doi: 10.11862/CJIC.20240191
14. [14]
  Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
15. [15]
  Xiaochen Zhang , Fei Yu , Jie Ma . 多角度数理模拟在电容去离子中的前沿应用. Acta Physico-Chimica Sinica, 2024, 40(11): 2311026-. doi: 10.3866/PKU.WHXB202311026
16. [16]
  Weina Wang , Lixia Feng , Fengyi Liu , Wenliang Wang . Computational Chemistry Experiments in Facilitating the Study of Organic Reaction Mechanism: A Case Study of Electrophilic Addition of HCl to Asymmetric Alkenes. University Chemistry, 2025, 40(3): 206-214. doi: 10.12461/PKU.DXHX202407022
17. [17]
  Jing SU , Bingrong LI , Yiyan BAI , Wenjuan JI , Haiying YANG , Zhefeng Fan . Highly sensitive electrochemical dopamine sensor based on a highly stable In-based metal-organic framework with amino-enriched pores. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1337-1346. doi: 10.11862/CJIC.20230414
18. [18]
  Xuewei BA , Cheng CHENG , Huaikang ZHANG , Deqing ZHANG , Shuhua LI . Preparation and luminescent performance of Sr_1-xZrSi₂O₇∶xDy³⁺ phosphor with high thermal stability. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 357-364. doi: 10.11862/CJIC.20240096
19. [19]
  Renqing Lü , Shutao Wang , Fang Wang , Guoping Shen . Computational Chemistry Aided Organic Chemistry Teaching: A Case of Comparison of Basicity and Stability of Diazine Isomers. University Chemistry, 2025, 40(3): 76-82. doi: 10.12461/PKU.DXHX202404119
20. [20]
  Zeyi Yan , Ruitao Liu , Xinyu Qi , Yuxiang Zhang , Lulu Sun , Xiangyuan Li , Anchao Feng . Exploration of Suspension Polymerization: Preparation and Fluorescence Stability of Perovskite Polystyrene Microbeads. University Chemistry, 2025, 40(4): 72-79. doi: 10.12461/PKU.DXHX202405110

Get Citation

PDF

XML

Metrics

PDF Downloads(1249)
Abstract views(4179)
HTML views(19)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142