ICTAC Kinetics Committee recommendations for analysis of thermal polymerization kinetics

•Recommendations are provided for kinetic analysis of thermal polymerization.•Main focus is on analysis of DSC measurements.•Multi-step nature of polymerization kinetics is emphasized.•Model-fitting, isoconversional, and deconvolution analyses are discussed.•Specific advices are offered for efficien...

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Veröffentlicht in:Thermochimica acta Jg. 714; S. 179243
Hauptverfasser: Vyazovkin, Sergey, Achilias, Dimitris, Fernandez-Francos, Xavier, Galukhin, Andrey, Sbirrazzuoli, Nicolas
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Elsevier B.V 01.08.2022
Schlagworte:
activation energy
Arrhenius
Crosslinking
Curing
Diffusion
Kinetics
Polymerization
reaction kinetics
Arrhenius
Curing
Polymerization
Crosslinking
Kinetics
Diffusion
ISSN:0040-6031
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Abstract •Recommendations are provided for kinetic analysis of thermal polymerization.•Main focus is on analysis of DSC measurements.•Multi-step nature of polymerization kinetics is emphasized.•Model-fitting, isoconversional, and deconvolution analyses are discussed.•Specific advices are offered for efficient usage of each analysis. The present recommendations have been developed by the Kinetics Committee of the International Confederation for Thermal Analysis and Calorimetry (ICTAC). The recommendations provide guidance on kinetic analysis of thermal polymerization, which incorporates both linear and crosslinking polymerization (curing). The focus is on treating the kinetics as measured by differential scanning calorimetry (DSC). The recommendations discuss basic reaction mechanisms and emphasize the multi-step nature of the polymerization kinetics. An overview of mechanistic and phenomenological models is provided for polymerization controlled by reaction kinetics and diffusion. Three different approaches to evaluation of kinetic parameters (activation energy, preexponential factor, reaction model) for individual steps are considered. These approaches comprise model-fitting, isoconversional, and deconvolution analyses. Practical advices are offered for effective usage of each approach. Attention is paid to the typical problems and to the ways of addressing them. The recommendations are intended to assist with efficiently conducting kinetic analysis and interpreting its results.
AbstractList •Recommendations are provided for kinetic analysis of thermal polymerization.•Main focus is on analysis of DSC measurements.•Multi-step nature of polymerization kinetics is emphasized.•Model-fitting, isoconversional, and deconvolution analyses are discussed.•Specific advices are offered for efficient usage of each analysis. The present recommendations have been developed by the Kinetics Committee of the International Confederation for Thermal Analysis and Calorimetry (ICTAC). The recommendations provide guidance on kinetic analysis of thermal polymerization, which incorporates both linear and crosslinking polymerization (curing). The focus is on treating the kinetics as measured by differential scanning calorimetry (DSC). The recommendations discuss basic reaction mechanisms and emphasize the multi-step nature of the polymerization kinetics. An overview of mechanistic and phenomenological models is provided for polymerization controlled by reaction kinetics and diffusion. Three different approaches to evaluation of kinetic parameters (activation energy, preexponential factor, reaction model) for individual steps are considered. These approaches comprise model-fitting, isoconversional, and deconvolution analyses. Practical advices are offered for effective usage of each approach. Attention is paid to the typical problems and to the ways of addressing them. The recommendations are intended to assist with efficiently conducting kinetic analysis and interpreting its results.
The present recommendations have been developed by the Kinetics Committee of the International Confederation for Thermal Analysis and Calorimetry (ICTAC). The recommendations provide guidance on kinetic analysis of thermal polymerization, which incorporates both linear and crosslinking polymerization (curing). The focus is on treating the kinetics as measured by differential scanning calorimetry (DSC). The recommendations discuss basic reaction mechanisms and emphasize the multi-step nature of the polymerization kinetics. An overview of mechanistic and phenomenological models is provided for polymerization controlled by reaction kinetics and diffusion. Three different approaches to evaluation of kinetic parameters (activation energy, preexponential factor, reaction model) for individual steps are considered. These approaches comprise model-fitting, isoconversional, and deconvolution analyses. Practical advices are offered for effective usage of each approach. Attention is paid to the typical problems and to the ways of addressing them. The recommendations are intended to assist with efficiently conducting kinetic analysis and interpreting its results.
ArticleNumber 179243
Author Sbirrazzuoli, Nicolas
Vyazovkin, Sergey
Fernandez-Francos, Xavier
Galukhin, Andrey
Achilias, Dimitris
Author_xml – sequence: 1
  givenname: Sergey
  orcidid: 0000-0002-6335-4215
  surname: Vyazovkin
  fullname: Vyazovkin, Sergey
  email: vyazovkin@uab.edu
  organization: Department of Chemistry, University of Alabama at Birmingham, 901 S. 14th Street, Birmingham, AL 35294, USA
– sequence: 2
  givenname: Dimitris
  surname: Achilias
  fullname: Achilias, Dimitris
  organization: Department of Chemistry, Aristotle University of Thessaloniki, Thessaloniki 54124, Greece
– sequence: 3
  givenname: Xavier
  surname: Fernandez-Francos
  fullname: Fernandez-Francos, Xavier
  organization: Thermodynamics Laboratory, ETSEIB, Universitat Politècnica de Catalunya, Av. Diagonal 647, Barcelona 08028, Spain
– sequence: 4
  givenname: Andrey
  surname: Galukhin
  fullname: Galukhin, Andrey
  organization: Alexander Butlerov Institute of Chemistry, Kazan Federal University, 18 Kremlevskaya Street, Kazan 420008, Russian Federation
– sequence: 5
  givenname: Nicolas
  surname: Sbirrazzuoli
  fullname: Sbirrazzuoli, Nicolas
  email: nicolas.sbirrazzuoli@univ-cotedazur.fr
  organization: UMR CNRS 7272, Institute of Chemistry of Nice, University Côte d'Azur, Nice 06100, France
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Keywords Arrhenius
Curing
Polymerization
Crosslinking
Kinetics
Diffusion
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PublicationDateYYYYMMDD 2022-08-01
PublicationDate_xml – month: 08
  year: 2022
  text: August 2022
PublicationDecade 2020
PublicationTitle Thermochimica acta
PublicationYear 2022
Publisher Elsevier B.V
Publisher_xml – name: Elsevier B.V
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Snippet •Recommendations are provided for kinetic analysis of thermal polymerization.•Main focus is on analysis of DSC measurements.•Multi-step nature of...
The present recommendations have been developed by the Kinetics Committee of the International Confederation for Thermal Analysis and Calorimetry (ICTAC). The...
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StartPage 179243
SubjectTerms activation energy
Arrhenius
Crosslinking
Curing
Diffusion
Kinetics
Polymerization
reaction kinetics
Title ICTAC Kinetics Committee recommendations for analysis of thermal polymerization kinetics
URI https://dx.doi.org/10.1016/j.tca.2022.179243
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