Kinetic model of the catalytic hydroalumination of olefins with organoaluminum compounds

Abstract

The purpose of this study was to develop a kinetic model for the Cp2ZrCl2-catalyzed hydroalumination of olefins with organoaluminum compounds HAlBu 2 i , AlBu 3 i , ClAlBu 2 i (Bu = C4H9, Cp = C5H5). Experimental data were taken from previous investigations in which the catalytic reaction was carried out with various olefins and different initial amounts of the catalyst in the temperature range from 0 to 40 °C. A mathematical model of the process was developed taking into account the material balance. The rate constants and activation energies for process steps were determined by solving the inverse problem of chemical kinetics. The kinetic patterns of the catalytic hydroalumination of olefins with organoaluminum compounds were studied in terms of the constructed reaction model.