Laboratory of Liquid Phase Free-Radical Reactions

Laboratory of Liquid phase free-radical reactions

Head of laboratory. DSc, Academician of NAS RA L.A. Tavadyan

Research areas

Liquid phase free-radical reactions
Catalysis of oxidation reactions
Mechanism of antioxidant action
Quantitive modeling of complex (multistage) reactions, including nonlinear dynamic systems

Scientific achievements

A fundamentally new method of numerical value-based simulation and analysis of complex (multistage) reaction mechanisms based on the Hamiltonian systematization of the corresponding kinetic equations of the species of the reaction system has been developed. As a result, new concepts were introduced into chemical kinetics: - value quantities, which make it possible to numerically identify the kinetic significance of components and individual stages of complex reactions, in order to predict behavior and control reactions, implemented in the VALKIN computer program.

Adequate kinetic model of lipids peroxidation in presence of antioxidant was constructed and numerically analyzed.
Using ESR kinetic method with impulse injection of reagents appropriate constants speeds of many free-radicals simple reactions in liquid-phase was determined. Based on this data new mechanisms of free-radicals reactions and connection between structure and reaction ability was suggested.
Based on chemical biomimetic principles new class of effective catalyst (metal-complex compounds of nitrogen-containing coal) of oxidative reactions was developed. New cyclic reaction of chain-transfer on catalyst surface with active form of oxygen was discovered, which significantly rise efficiency of transformation alkyl arenes in hydroperoxides.
Using basic non-empiric principles of V. A. Hambardzumyan’s “Invariant Subspace “, dynamic influence on chemical reactions passing in gas and condensed environment theoretically described based on generalized collision theory.
Numerical method for identifying and analyze of critical parameters of reaction systems was developed, including branched-chain, degenerated-branched, oscillation chemical reactions, in which quantitive changes of reactions regimes. Universal criterion of identifying and analyze of critical parameters of reactions was suggested.
New chemical mechanisms for antiradical action of bio-antioxidants (Flavonoids, folates, tocopherols etc.), bounded with DNA.