Development of a Kinetic Model for Thermal Crosslinking of Rubbery Polymers

A kinetic model for the thermal crosslinking of rubbery polymers is presented. The reaction mechanism used to develop the model includes thermal radical generation producing a polymeric radical and a primary radical, crosslinking from attack of a polymer radical to any inactive polymer molecule, bim...

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Bibliographic Details
Published in:Macromolecular theory and simulations 2005-11, Vol.14 (9), p.539-553
Main Authors: Vivaldo-Lima, Eduardo, Roa-Luna, Martha, Saldívar-Guerra, Enrique
Format: Article
Language:English
Subjects:
Applied sciences
Chemical reactions and properties
crosslinking
Crosslinking, vulcanization
Exact sciences and technology
gelation
modeling
Organic polymers
Physicochemistry of polymers
polybutadiene
rubber
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Summary:A kinetic model for the thermal crosslinking of rubbery polymers is presented. The reaction mechanism used to develop the model includes thermal radical generation producing a polymeric radical and a primary radical, crosslinking from attack of a polymer radical to any inactive polymer molecule, bimolecular radical termination among chains of any degree of branching, and radical termination between a polymer radical and a primary radical from the thermal radical generation. The overall polymer population is divided into “generations”, which are defined in terms of the number of primary (linear) chains of original rubbery polymer attached to the polymer molecule. Mass balances for each generation are written down, and expressions to calculate fraction of branched molecules, gel fraction, and number and weight average chain lengths are derived. Model simulations, parameter sensitivity analyses and preliminary parameter estimation studies are presented, taking the thermal crosslinking of linear polybutadiene as a case study. Development of a kinetic model for thermal crosslinking of rubbery polymers: reaction mechanism, model equations and parameter sensitivity analyses.
ISSN:1022-1344
1521-3919
DOI:10.1002/mats.200500028