Mathematical Modeling of Induction Period of the Olefins Hydroalumination Reaction by Diisobutylaluminiumchloride Catalyzed with Cp<sub>2</sub>ZrCl<sub>2</sub>
Keywords:Olefin hydroalumination, organoaluminium compounds, detailed elaboration, information-analytical system, mathematical description, dimer, catalytic cycle.
Method of mathematical modeling of induction period for reaction of olefins hydroalumination by alkylalanes in presence Cp2ZrCl2 was developed. The kinetic model of reaction of olefins hydroalumination by alkylalanes with presence the catalyst Cp2ZrCl2 was built. The values of kinetic parameters of reaction of olefins hydroalumination by alkylalanes in presence Cp2ZrCl2 which describes well an experimental data were determined. Obtained values are allowed to describe an induction period in all experimentally investigated area. The stages of mechanism of reaction of olefins hydroalumination by alkylalanes in presence Cp2ZrCl2 which determine an existence of induction period were found. The software of mathematical modeling of induction period which allows to define stages determined an existence of induction period was developed. It can be used for wide class of investigated reactions.
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