The Kinetic Model of n‐Decane Oxidation in the Presence of Inhibitory Composition

Abstract

This article addresses mathematical modeling of the reaction of inhibited organic compounds oxidation. It was proposed to solve the inverse problems of chemical kinetics by using the index method of constrained global minimization of the deviation between the calculated and experimental data. This approach allows us to use more complete information about the chemical process which, in its turn, reduces the range of possible solutions, narrows down the domain of uncertainty, and improves the quality of mathematical model of chemical reactions. The index method was applied to solving inverse kinetic problem for the reaction of n-decane oxidation in the presence of a p-oxydiphenylamine/n-decyl alcohol inhibitory composition. C

Few-Step Kinetic Model of Gaseous Autocatalytic Ethane Pyrolysis and Its Evaluation by Means of Uncertainty and Sensitivity Analysis

“…In the present paper, in contrast to Tikhonova et al [25], the admissible r values are those that satisfy the following inequations: 1. The sum of the squares of relative deviations of experimental concentrations of observable substances from the calculated values should not be greater than the specified ε value:…”

Synthesis of hydrated furans: Analysis of the Prins reaction mechanism

“…The program suite “KhimKinOptima” was specially developed for studying the kinetics of reactions—from the stage of preparing the mechanisms and to optimizing the conditions for conducting chemical processes—with the goal of increasing product yields. The authors successfully used this software to solve direct and inverse problems in the investigation of the radical chain oxidation reaction . In this article, this method is used to identify the mechanism of the Prins reaction.…”