Issue 9, 2007
From the journal:

Physical Chemistry Chemical Physics

A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

German Sastrea  

a Instituto de Tecnologia Quimica, UPV-CSIC, Av/Los Naranjos s/n, Valencia, Spain
E-mail: gsastre@itq.upv.es
Fax: +34 963 877 809
Tel: +34 963 877 803

Abstract

The role of structure directing agents in the synthesis of zeolites has been studied through atomistic simulation techniques. Three different kinds of structure directing agents have been reviewed: (i) isomorphic heteroatom Si → Al and Si → Ge substitutions; (ii) F− anions; and (iii) organic SDAs. The interplay between these structure directing agents is described and the separate effects of each one have been found from energy calculations and analysis of energetic terms.

Graphical abstract: A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

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Article information

DOI
https://doi.org/10.1039/B615035G
Article type
Invited Article
Submitted
16 Oct 2006
Accepted
19 Dec 2006
First published
18 Jan 2007

Phys. Chem. Chem. Phys., 2007,9, 1052-1058

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A computational chemistry insight in the role of structure directing agents in the synthesis of zeolites

G. Sastre, Phys. Chem. Chem. Phys., 2007, 9, 1052 DOI: 10.1039/B615035G

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