Results
Title

Quantitative Measurements of Brønsted Acidity of Zeolites by Ammonia IRMS--TPD Method and Density Functional Calculation.

Authors

Suzuki, Katsuki; Sastre, German; Katada, Naonobu; Niwa, Miki

Abstract

Adsorption energy of ammonia (Eads) on the Brønsted acid center of several zeolites was calculated by an embedded 8T cluster calculation based on the density functional theory. The Eads's were in good agreement with the ΔU obtained by an ammonia IRMS-TPD method.

Subjects

ADSORPTION (Chemistry); ZEOLITES; AMMONIA; DENSITY functionals; ACIDITY function

Publication

Chemistry Letters, 2007, Vol 36, Issue 8, p1034

ISSN

0366-7022

Publication type

Academic Journal

DOI

10.1246/cl.2007.1034