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Computer Simulation of Benzene Adsorbed in All-Silica Y and NaY Zeolites

✍ Scribed by Zeng, Yongping; Ju, Shengui; Xing, Weihong; Chen, Changlin


Book ID
121218574
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
406 KB
Volume
46
Category
Article
ISSN
0888-5885

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The structure and properties of the four possible bridging hydroxyl groups in silicon-rich H-faujasite (zcolite Y ) are studied by lattice-energy minimization carried out within the classical shell model. The most likely proton-accepting sites are the 0 1 and 03 oxygens. Their hydroxyl stretching fr