Mathematical Modeling of NMRP of Styrene - Divinylbenzene over the Pre and Post Gelation Periods Including Cyclization

Nitroxide-mediated polymerization of styrene-divinylbenzene has been modeled using generating functions of length distributions, pseudo-kinetic propagations, and numerical fractionation with the crosslinking rate depending on generation. Cyclization reactions are tackled by balances of sequences, yi...

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Bibliographic Details
Main Author: Leandro G. Aguiar (author)
Other Authors: Miguel A. D. Gonçalves (author), Virgínia D. Pinto (author), Rolando C. S. Dias (author), Mário Rui P. F. N. Costa (author), Reinaldo Giudici (author)
Format: article
Language:eng
Published: 2013
Subjects:
Online Access:https://hdl.handle.net/10216/103968
Country:Portugal
Oai:oai:repositorio-aberto.up.pt:10216/103968
Description
Summary:Nitroxide-mediated polymerization of styrene-divinylbenzene has been modeled using generating functions of length distributions, pseudo-kinetic propagations, and numerical fractionation with the crosslinking rate depending on generation. Cyclization reactions are tackled by balances of sequences, yielding fair predictions of the measured pendant double bond concentration. With reduction in crosslinking, agreement for the experiments at 90 8C between predicted and measured weight-average, molecular weight, and weight fraction of gel is observed. A much higher relative crosslinking reactivity is observed at 130 8C as compared to 90 8C, likely an effect of the chain mobility.