Mathematical Modeling and Optimization of Chemical and Technological Processes

Abstract

Kinetic models approach is one of the main methods for studying the mechanisms of chemical reactions that underlie any chemical-technological process. Its aim is to determine the kinetic parameters of individual reaction stages. The object of investigation in such problems are systems of differential equations the parameters for which must be established. Similar problems belong to the class of inverse coefficient problems. Their characteristic feature is a small amount of experimental data, which often does not allow the use of statistical methods for processing available information. A method for the parametric identification of kinetic models that extends L.V. Kantorovich approach that allows to define exact bilateral boundaries for the parameters of interest, is presented in this paper. It was tested on the example of constructing a kinetic model of the process for synthesizing 4-tert-butylpyrocatechol. The obtained results made it possible to determine the optimal mode of oxidant supply in the investigated reaction.