A Review of Modeling of Diffusion Controlled Polymerization Reactions

A plethora of models have been developed quantifying the effect of diffusion‐controlled phenomena on polymerization reactions. The most prominent approaches are reviewed here, including innovative ones that have emerged over the last decade. Free‐radical and step‐growth polymerizations are considere...

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Published inMacromolecular theory and simulations Vol. 16; no. 4; pp. 319 - 347
Main Author Achilias, Dimitris S.
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 25.05.2007
WILEY‐VCH Verlag
Wiley
Subjects
Online AccessGet full text
ISSN1022-1344
1521-3919
DOI10.1002/mats.200700003

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Abstract A plethora of models have been developed quantifying the effect of diffusion‐controlled phenomena on polymerization reactions. The most prominent approaches are reviewed here, including innovative ones that have emerged over the last decade. Free‐radical and step‐growth polymerizations are considered in a way to show that similar models have been used in both mechanisms. In free‐radical polymerization the models proposed are subdivided according to their theoretical background into four categories: (i) based on a Fickian description of reactant diffusion; (ii) free‐volume theory based; (iii) chain‐length dependent; and, (iv) empirical. The reversible addition‐fragmentation technique is discussed, together with two industrially important case‐studies, solid state polycondensation and epoxy‐amine curing.
AbstractList A plethora of models have been developed quantifying the effect of diffusion-controlled phenomena on polymerization reactions. The most prominent approaches are reviewed here, including innovative ones that have emerged over the last decade. Free-radical and step-growth polymerizations are considered in a way to show that similar models have been used in both mechanisms. In free-radical polymerization the models proposed are subdivided according to their theoretical background into four categories: (i) based on a Fickian description of reactant diffusion; (ii) free-volume theory based; (iii) chain-length dependent; and, (iv) empirical. The reversible addition-fragmentation technique is discussed, together with two industrially important case-studies, solid state polycondensation and epoxy-amine curing.
A plethora of models have been developed quantifying the effect of diffusion‐controlled phenomena on polymerization reactions. The most prominent approaches are reviewed here, including innovative ones that have emerged over the last decade. Free‐radical and step‐growth polymerizations are considered in a way to show that similar models have been used in both mechanisms. In free‐radical polymerization the models proposed are subdivided according to their theoretical background into four categories: (i) based on a Fickian description of reactant diffusion; (ii) free‐volume theory based; (iii) chain‐length dependent; and, (iv) empirical. The reversible addition‐fragmentation technique is discussed, together with two industrially important case‐studies, solid state polycondensation and epoxy‐amine curing. magnified image
Author Achilias, Dimitris S.
Author_xml – sequence: 1
  givenname: Dimitris S.
  surname: Achilias
  fullname: Achilias, Dimitris S.
  email: axilias@chem.auth.gr
  organization: Laboratory of Organic Chemical Technology, Department of Chemistry, Aristotle University of Thessaloniki, GR-541 24 Thessaloniki, Greece
BackLink http://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18826720$$DView record in Pascal Francis
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Issue 4
Keywords Epoxy resin
Condensation polymerization
Review
Modeling
Chemical reaction kinetics
Diamine
Kinetic model
Free radical polymerization
Diffusion-controlled reactions
Curing(plastics)
free-radical
step-growth
Solid state reaction
Language English
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Snippet A plethora of models have been developed quantifying the effect of diffusion‐controlled phenomena on polymerization reactions. The most prominent approaches...
A plethora of models have been developed quantifying the effect of diffusion-controlled phenomena on polymerization reactions. The most prominent approaches...
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SubjectTerms Applied sciences
Diffusion-controlled reactions
Exact sciences and technology
free-radical
modeling
Organic polymers
Physicochemistry of polymers
Polycondensation
Polymerization
Preparation, kinetics, thermodynamics, mechanism and catalysts
step-growth
Title A Review of Modeling of Diffusion Controlled Polymerization Reactions
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Volume 16
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