Database of Zeolite Structures

“The key to immortality is first living a life worth remembering.” -- Bruce Lee (American Actor and martial arts expert. (1940-1973)

The International Zeolite Association (http://www.iza-online.org/) offers a free online database that will interest anyone in the desulfurization technology business. Zeolites, of course, are a key technology in the desulfurization effort. If you Google® “zeolitic desulfurization,” for example, one of the hits is …

SCIENCE CHINA
January 2010 Vol.53 No.1: 281–286 doi: 10.1007/s11426-010-0037-8
Adsorptive desulfurization on a heteroatoms Y zeolite prepared by secondary synthesisTANG Ke, HONG Xin, ZHAO YongHua, SONG LiJuan, & SUN ZhaoLin
School of Material and Chemical Engineering, Liaoning Institute of Technology, Jinzhou 121001, China;
College of Petrochemical Engineering, Liaoning University of Petroleum & Chemical Technology, Fushun 113001, China
Gallium atoms have been introduced into the framework of Y zeolite by treating the zeolite with an aqueous solution of ammonium hexafluoro gallate. Desulfurization of various model fuels containing about 500 μg/g sulfur has been studied over the synthesized Y zeolite ([Ga]AlY). The sulfur adsorption capacity is 7.0, 17.4, 14.5, 16.9, 6.9 and 5.8 mg(S)/g adsorbent for thiophene, tetrahydrothiophene (THT), 4,6-dimethyldibenzothiophene (4,6-DMDBT), dibenzophiophene (DBT), benzothiophene (BT) and 4-methyldibenzothiophene (4-MDBT), respectively. The charges on the S atom in thiophene, THT, 4,6- DMDBT, DBT, BT and 4-MDBT, calculated using the density functional theory (DFT), are −0.159, −0.298, −0.214, −0.211, −0.193 and −0.188, respectively, implying that the S-M bond between the adsorption sites and thiophene is much weaker than that between the adsorption sites and THT, 4,6-DMDBT or DBT. The sulfur removal of FCC gasoline on [Ga]AlY is 68%.
source: http://www.scichina.com:8081/sciBe/EN/article/downloadArticleFile.do?attachType=PDF&id=415922
The International Zeolite Association Web describes the database as follows …

This database provides structural information on all of the Zeolite Framework Types that have been approved by the Structure Commission of the International Zeolite Association (IZA-SC).
It includes ...

• descriptions and drawings of each framework type
• user-controlled animated displays of each framework type
• crystallographic data and simulated powder diffraction patterns for representative materials
• relevant references
• detailed instructions for building models
• descriptions of some families of disordered zeolite structures

Try out the database at …
http://www.iza-structure.org/databases/