Kinetics study of the isomerization of xylene on ZSM-5 zeolites: the effect of the modification with MgO and CaO
β Scribed by Yu-Guang Li; Hu Jun
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 744 KB
- Volume
- 142
- Category
- Article
- ISSN
- 0926-860X
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The structures and energetics associated with the adsorption of ethene and four butene isomers on H-ZSM-5 zeolite have been studied using a 46T cluster and calculated at the ONIOM2(B3LYP/6-311++G(d,p):UFF) level. The adsorption energy for ethene-zeolite complex is predicted to be -8.17 kcal/mol, whi
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