Analysis of the oxidation mechanism of 1,4-dioxane in the presence of 2,5,7,8-tetramethyl-2-[(6,6a,7,9a-tetrahydro-5n-cyclopenta-1,7- phenanthrolin-6-yl)methyl]chroman-6-ol as an antioxidant by mathematical modeling
The mechanism of antioxidant action of tetrahydroquinoline conjugate with a chromane moiety in the initiated oxidation of 1,4-dioxane has been studied. The rate constants of the stages constituting the mechanism of a complex sequential reaction were obtained. The possibility of the PTC MathCad software package for building a mathematical model and carrying out the procedure of modeling the mechanisms of complex reactions of radical-chain oxidation of organic compounds is shown.
DOI: 10.33184/bulletin-bsu-2024.3.5
Author Biographies
Safarov E.F., Ufa University of Science and Technology
4th year student of the Institute of Chemistry and Protection in Emergency Situations
Sharayeva K.S., Ufa University of Science and Technology
4th year student of the Institute of Chemistry and Protection in Emergency Situations
Safarova I.V., Ufa University of Science and Technology
PhD in Chemistry, Associate Professor, Associate Professor of the Department of Physical Chemistry and Chemical Ecology, Institute of Chemistry and Protection in Emergency Situations
Gerchikov A.Ya., Ufa University of Science and Technology
Doctor of Science (Chemistry), Professor, Chief Scientific Associate of the Department of Scientific Research and Development
