P-W-B-213 Computational Modelling Study of Acylation of Phenol over Zeolite Catalysts

Wednesday, June 17, 2015
Ballroom B (Lawrence Convention Center)
Santosh More, Seton Hall University, USA and Ganpati Yadav, Institute of Chemical Technology, India.

Molecular modeling was done to study the acylation of phenol on zeolite (MOR, beta-A, BETAPA, ZSM-5) catalysts. From the combined analysis of the results of all the simulations performed, we can conclude that out of the four zeolites, BETAPA is the most favorable one for the given reaction.

Extended Abstracts:

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