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Different Influences of Lanthanum and Cerium on Stability of Y Zeolite and Their DFT Calculations 被引量:1

Different Influences of Lanthanum and Cerium on Stability of Y Zeolite and Their DFT Calculations
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摘要 In this paper,the different influences of lanthanum (La) and cerium (Ce) species on the stability of Y zeolite were studied by X-ray diffractometry (XRD),X-ray photoelectron spectroscopy (XPS),and multinuclear (27Al,29Si) solidstate nuclear magnetic resonance spectroscopy (NMR).It was found that the stability of Y zeolite could be enhanced by the introduction of La or Ce species;however,the former effect was more remarkable than the latter.These results were also confirmed theoretically by density functional calculations.There was a strong interaction between the rare earth (La or Ce) species and Y zeolite clusters,which restrained the formation of extra-framework aluminum and enhanced evidently the stability of Y zeolite.Furthermore,the interaction between La species and Y zeolite was stronger than that of Ce species with Y zeolite. In this paper,the different influences of lanthanum (La) and cerium (Ce) species on the stability of Y zeolite were studied by X-ray diffractometry (XRD),X-ray photoelectron spectroscopy (XPS),and multinuclear (27Al,29Si) solidstate nuclear magnetic resonance spectroscopy (NMR).It was found that the stability of Y zeolite could be enhanced by the introduction of La or Ce species;however,the former effect was more remarkable than the latter.These results were also confirmed theoretically by density functional calculations.There was a strong interaction between the rare earth (La or Ce) species and Y zeolite clusters,which restrained the formation of extra-framework aluminum and enhanced evidently the stability of Y zeolite.Furthermore,the interaction between La species and Y zeolite was stronger than that of Ce species with Y zeolite.
出处 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第1期16-23,共8页 中国炼油与石油化工(英文版)
基金 the Ministry of Science and Technology of China for providing financial support through the National 973 Project (Grant No. 2006CB202501)
关键词 Y型分子筛 稳定性 DFT计算 X射线衍射 核磁共振技术 相互作用 Y zeolite lanthanum cerium stability density functional theory interaction
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