Title of article
Comments on “Shape-selective diisopropylation of naphthalene in H-mordenite: Myth or reality?”
Author/Authors
Gyula Tasi، نويسنده , , Istv?n P?link?، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
2
From page
229
To page
230
Abstract
Recently, the reaction system of isopropylation of naphthalene over USY and H-mordenite zeolites was comprehensively treated experimentally as well as computationally by Buijs et al. . Results from both sources were used to discard shape selectivity as an explanation for the observed product distribution. In this contribution, it is shown that their computational argument cannot be used for this purpose, since after the improvement of their orthogonal projection method, it gives very similar results to those criticised in their paper.
Keywords
Acidic zeolites , Alkane cracking , Molecular dynamics , Ab initio , Entropy effect , Transition path sampling
Journal title
Journal of Catalysis
Serial Year
2011
Journal title
Journal of Catalysis
Record number
1226213
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