Title of article
A DFT Study of Isomerization and Transalkylation Reactions of Aromatic Species Catalyzed by Acidic Zeolites
Author/Authors
Xavier Rozanska، نويسنده , , Xavier Saintigny، نويسنده , , Rutger A. van Santen، نويسنده , , François Hutschka، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
15
From page
141
To page
155
Abstract
A theoretical study of the isomerization and transalkylation reactions of aromatic species catalyzed by acidic zeolite is reported. Cluster DFT calculations have been performed. All different reported mechanisms of isomerization and transalkylation have been investigated and analyzed. The aromatic species considered in this study are benzene, toluene, and alkylated thiophene and derivatives.
Journal title
Journal of Catalysis
Serial Year
2001
Journal title
Journal of Catalysis
Record number
1222031
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