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
Link To Document :
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