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

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 p...

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Vydáno v:Molecules (Basel, Switzerland) Ročník 24; číslo 9; s. 1683 - 1699
Hlavní autor: Sbirrazzuoli, Nicolas
Médium: Journal Article
Jazyk:angličtina
Vydáno: Switzerland MDPI AG 30.04.2019
MDPI
Edice:Special Issue “Thermal Analysis Kinetics for Understanding Materials Behavior”
Témata:
Chemical Sciences
curing
DSC
Energy
epoxy
Heat
isoconversional methods
kinetic analysis
Kinetics
Material chemistry
Mathematical functions
Methods
Molecular weight
Polymerization
polymerization mechanisms
Software
thermoanalytical techniques
Viscosity
isoconversional methods
DSC
epoxy
kinetic analysis
curing
polymerization mechanisms
thermoanalytical techniques
ISSN:1420-3049, 1420-3049
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Shrnutí: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.
Bibliografie:ObjectType-Article-1
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PMCID: PMC6540198
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules24091683