Issue 1, 1997

Comparing the acidities of zeolites and SAPOs from first principles

Abstract

First-principles density functional calculations using periodic boundary conditions are used to demonstrate that SAPO-34 is less acidic than its aluminosilicate equivalent chabazite, based on the properties of the Brønsted-acid sites and their interaction with basic molecules.

Article information

Article type
Paper

Chem. Commun., 1997, 131-132

Comparing the acidities of zeolites and SAPOs from first principles

R. Shah, J. D. Gale and M. C. Payne, Chem. Commun., 1997, 131 DOI: 10.1039/A605200B

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