Catalysis Today, Vol.50, No.3-4, 511-515, 1999
Theory, spectroscopy and kinetics of zeolite catalysed reactions
The combined use of quantum chemistry and spectroscopy to provide a basis of microkinetics modelling is discussed.
Keywords:NONCLASSICAL CARBONIUM-IONS;DIMETHYL ETHER FORMATION;HIGH-SILICA ZEOLITES;ACIDIC ZEOLITE;AB-INITIO;N-HEXANE;METHANOL;PROTONS;TRANSFORMATIONS;ADSORPTION