Mathematical modeling of NMRP of styrene–divinylbenzene over the pre- and post-gelation periods including cyclization

Aguiar, Leandro G.; Gonçalves, Miguel A.D.; Pinto, Virgínia; Dias, Rolando; Costa, Mário Rui; Giudici, Reinaldo

http://hdl.handle.net/10198/9611

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Authors

Aguiar, Leandro G.

Gonçalves, Miguel A.D.

Abstract(s)

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 °C 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 °C as compared to 90 °C, likely an effect of the chain mobility.

Keywords

Crosslinking Cyclization Modeling Networks NMRP

URI

http://hdl.handle.net/10198/9611

Citation

Aguiar, Leandro ; Gonçalves, Miguel; Pinto, Virgínia; Dias, Rolando; Costa, Mário Rui; Giudici, Reinaldo (2014). Mathematical modeling of NMRP of styrene–divinylbenzene over the pre- and post-gelation periods including cyclization. Macromolecular Reaction Engineering. issn 1862-832X. 8, p. 295-313