Abstract
The reaction of α-olefin hydroalumination by alkylalanes HAlBu 2 i , ClAlBu 2 i , AlBu 3 i catalyzed by Cp2ZrCl2 was studied. The kinetic model for the reaction steps isolated from the detailed mechanism of Cp2ZrCl2-catalyzed olefin hydroalumination were constructed. The inverse problem of chemical kinetics has been addressed in order to determine the kinetic parameters of the reactions. The estimation of rate coefficients has been performed by fitting the model outputs with available experimental data. The comparison between experimental data and simulated results with kinetic parameters validated the effectiveness of the developed model. The constructed mathematical model was used to study the mechanism of the isolated reactions of olefin hydroalumination.
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