A simulated annealing study of Si,Al distribution in the omega framework

✍ Scribed by Baohui Li; Pingchuan Sun; Qinghua Jin; Jingzhong Wang; Datong Ding

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 77 KB
• Volume: 148
• Category: Article
• ISSN: 1381-1169
• DOI: 10.1016/s1381-1169(99)00095-3

✦ Synopsis

The Si,Al framework distribution of zeolite omega is studied by three different models, in which the model 3 provides numerical results manifesting the fact that site T , one of the two crystallographically unequivalent tetrahedral sites, is B preferentially occupied by Al atoms in parent zeolite omega. The dependence of the partitioning ratio of Al atoms in the two crystallographically unequivalent tetrahedral sites, on the SirAl is predicted correctly. The agreement between the calculated Ä Ž . 4

29 Si building units, Si nAl ; k s A or B, n s 0-4 , and that obtained from Si MAS NMR is excellent.