EXPERIMENTAL AND COMPUTATIONAL STUDY OF BETA, ZSM-12, Y, MORDENITE AND ERB-1 IN CUMENE SYNTHESIS

The catalytic performance of zeolite beta in the liquid phase Alkylati on of benzene with propylene is compared with that of other zeolites: MOR, ERB-1, USY, MTW. The comparison is carried out both by catalytic tests and by computational evaluation of the energy barriers for diffu sion of the product molecules and of the binding energies (BE's) of th e same molecules, inside the zeolite pores. Among the zeolites studied , zeolite beta appears to be one of the most efficient catalysts, prod ucing the smallest amount of propylene oligomers and of n-propylbenzen e. The energy diffusion barriers and the BE's, both calculated for cum ene and DIPB isomers account for the outstanding performance of zeolit e beta.