Nurislamova

This work was carried out in the context of investigation and development of original two-component neutral catalyst systems made of mixed-valence metal compounds (titanium and zirconium) and organoaluminum compounds. A problem of identification of kinetic parameters of olefin hydroalumination, which belongs to a class of inverse problems of chemical kinetics, was considered in this paper. As a rule, identification problem is formulated as a single-criterion optimization problem for residuals between calculations and experimental data. The disadvantage of such a formulation consists in the fact that important prior information about kinetic features of a chemical reaction under investigation is ignored during identification. A distinct feature and novelty of this work is a new formulation of the identification problem; the problem was considered as a two-criterion optimization task which allowed to take into account both experimental data on the kinetics of the chemical reaction under investigation and prior information about this reaction. Solution to this problem represents the Pareto set. In order to approximate the Pareto set a modified Adaptive Weighted Sum method was used. One of the purposes of this work is to test the modified AWS method while solving real world two-criterion inverse problems of chemical kinetics. Two-criterion identification problem of kinetics of olefin hydroalumination by halbui2 and clalbui2 was formulated in this work. The algorithms and software which were used are described in this paper. The obtained calculation results were analyzed and discussed.