Parallelization technology for solving multiparameter inverse problems of chemical kinetics

Abstract

A united information-analytic system (IAS) for solving inverse problems of chemical kinetics on the basis of parallel computing technology is developed. This system is implemented to construct kinetic models for industry-significant reactions of metal-complex catalysis. The following results are obtained: the dependence of the induction period of olefin hydroalumination reactions on the catalyst is quantitatively estimated and the reactivity of olefin and acetylene compounds in olefin cycloalumination reaction is evaluated; the optimal temperature and the initial reagent ratio for olefin cycloalumination reactions to ensure the maximum product yield ate determined.