Abstract
A conceivable method (“value” method) for analyzing the reaction kinetics models of inhibited liquid-phase oxidation of organic compounds was considered. A procedure for the numerical calculations of the molecular structure parameters of an inhibitor and an inhibitor concentration that results in a maximum inhibition of the reaction was presented. In the kinetic model of a chain reaction of liquid-phase ethylbenzene oxidation in the presence of a para-methylphenol inhibitor, the dynamics of contributions from individual steps was calculated. This allowed us to simplify the reaction mechanism. The inhibition of the oxidation reaction due to reactions with the participation of a phenoxyl radical was found to occur under conditions of the quasi-equilibrium
RO ·2 +HO'RRO2H +OC6H4'R
The molecular structures and initial concentrations of para-substituted phenols, which are most effective for the given reaction conditions, were determined.
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Tavadyan, L.A., Martoyan, G.A. & Minasyan, S.H. Determination of the Kinetic Significance of Elementary Steps in the Reaction of Ethylbenzene Oxidation Inhibited by para-Substituted Phenols: Choice of an Effective Antioxidant. Kinetics and Catalysis 44, 91–100 (2003). https://doi.org/10.1023/A:1022576802859
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DOI: https://doi.org/10.1023/A:1022576802859