Collect. Czech. Chem. Commun. 1981, 46, 2466-2478

Geometric factor in dehydration of alcohols on X and Y zeolites

Jiří Sedláček

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


Geometric conditions for dehydration of alcohols on X and Y zeolites have been studied with the aid of computer constructed models. On the basis of these calculations conditions for two-site adsorption on different pairs of skeletal oxygen atoms in syn- and anti-elimination course of the reaction are discussed and the most suitable reaction sites are selected. Results of these computations were used to interpret experimental facts such as the preferential formation of cis-2-alkenes in the course of dehydration and the dependence of catalyst activity on the size and number of the cations present in zeolite skeleton.