КИНЕТИЧЕСКИЙ АНАЛИЗ ТЕХНОЛОГИЧЕСКИХ КРИТЕРИЕВ ЭФФЕКТИВНОСТИ ПРОЦЕССА ОКИСЛЕНИЯ ЭТИЛБЕНЗОЛА В ПРИСУТСТВИИ КОМПЛЕКСОВ ДИБЕНЗО-18-КРАУН-6 ЭФИРА С ХЛОРИДАМИ CA, SR, BA

Abstract

A kinetic scheme is proposed that is common to the processes of ethylbenzene oxidation and ethylbenzene hydroperoxide decomposition in the presence of dibenzo-18-crown-6 ether complexes with Ca, Sr, and Ba chlorides. The scheme includes reactions of the formation of intermediate adducts from components of the reaction mixture and catalyst molecules, classical reactions of initiation, propagation and termination of the chain, reactions of initiation and propagation of the chain with the participation of intermediate adducts, and molecular reactions (includingthose with the participation of intermediate adducts).Basedonexperimentaldataandtheproposedscheme, akineticmodelwasmade.The kinetic model, written in the form of nonlinear differential equations according to the mass action law describes in time the rate of change of the concentrations of all components of reaction mixtures for ethylbenzene oxidation and ethylbenzene hydroperoxide decomposition in the presence of dibenzo-18-crown-6 ether complexes with Ca, Sr, Ba chlorides. As a result of solving the inverse kinetic problem using the zero-order direct search method, the values of reaction rate coefficients were found where the kinetic model reproduces the experimental values of the concentrations of all components of the reaction mixtures of the processes under consideration within the average relative error of 25%.As a result of the analysis based on the kinetic model, it was established that the conversion of ethylbenzene in the process of its oxidation is most affected by the reaction of ethylbenzene with the ethylbenzene peroxyl radical (target reaction).Using the kinetic model, the following was shown: 1) the values of the conversion of ethylbenzene, depending on the nature of the catalyst, line up in a row that corresponds to a number of values of the reaction rates of ethylbenzene with ethylbenzene peroxyl radical; 2) the model qualitatively reproduces the trend of selectivity changes when changing the catalyst.