Open AccessMathematical modeling of radical-chain reaction of isopropylbenzene oxidation
Author(s) -
М. К. Вовденко,
E. A. Ahmerov,
К. Ф. Коледина,
A. G. Vovdenko
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1368/4/042020
Subject(s) - phenol , acetone , chemistry , elementary reaction , work (physics) , kinetic scheme , reaction mechanism , chain reaction , kinetics , organic chemistry , photochemistry , thermodynamics , catalysis , physics , quantum mechanics
Isopropylbenzene (IPB) oxidation by air oxygen is an intermediate stage of phenol and acetone production process. Hydroperoxide of isopropylbenzene (HP IPB) is a target product of this process. In this article reaction scheme of isopropylbenzene oxidation was proposed and kinetic model based on reaction scheme developed . Also it was important to choose approach for mathematical simulation of chemical reaction. In this work system of differential equations was used for oxidation reaction simulation. Different types of numerical methods were used for model solution. The results we obtained were compared with data from other researches.