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Advanced Isoconversional Kinetic Analysis for the Elucidation of Complex Reaction Mechanisms: A New Method for the Identification of Rate-Limiting Steps

University Côte d’Azur, Institute of Chemistry of Nice, UMR CNRS 7272, 06100 Nice, France
Molecules 2019, 24(9), 1683; https://doi.org/10.3390/molecules24091683
Received: 9 April 2019 / Revised: 24 April 2019 / Accepted: 25 April 2019 / Published: 30 April 2019
(This article belongs to the Special Issue Thermal Analysis Kinetics for Understanding Materials Behavior)
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Abstract

Two complex cure mechanisms were simulated. Isoconversional kinetic analysis was applied to the resulting data. The study highlighted correlations between the reaction rate, activation energy dependency, rate constants for the chemically controlled part of the reaction and the diffusion-controlled part, activation energy and pre-exponential factors of the individual steps and change in rate-limiting steps. It was shown how some parameters computed using Friedman’s method can help to identify change in the rate-limiting steps of the overall polymerization mechanism as measured by thermoanalytical techniques. It was concluded that the assumption of the validity of a single-step equation when restricted to a given α value holds for complex reactions. The method is not limited to chemical reactions, but can be applied to any complex chemical or physical transformation. View Full-Text
Keywords: kinetic analysis; isoconversional methods; polymerization mechanisms; curing; epoxy; DSC; thermoanalytical techniques kinetic analysis; isoconversional methods; polymerization mechanisms; curing; epoxy; DSC; thermoanalytical techniques
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Sbirrazzuoli, N. Advanced Isoconversional Kinetic Analysis for the Elucidation of Complex Reaction Mechanisms: A New Method for the Identification of Rate-Limiting Steps. Molecules 2019, 24, 1683.

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