Prediction of resin textural properties by vinyl/divinyl copolymerization modeling

The production of polymeric resins through free-radical copolymerization is an interesting procedure from an economic standpoint; however, its mathematical representation is of great complexity. In the present study, modeling tools were used to describe the copolymerization of styrene with ethylene...

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Bibliographic Details
Published in:Polymer (Guilford) 2017-10, Vol.129, p.21-31
Main Authors: Aguiar, Leandro G., Moura, Juliana O.V., Theodoro, Thiago R., Neto, Turibio G.S., Lopes, Vinícius M.P., Dias, Joslaine R.
Format: Article
Language:English
Subjects:
Coiling
Copolymerization
Diffusion
Diffusion effects
Divinylbenzene
Ethylene glycol
Fractionation
Gel
Gelation
Heptanes
Mathematical models
Method of moments
Modeling
Particulates
Polymerization
Pore formation
Resin
Resins
Sequences
Specific surface area
Styrene
Toluene
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Summary:The production of polymeric resins through free-radical copolymerization is an interesting procedure from an economic standpoint; however, its mathematical representation is of great complexity. In the present study, modeling tools were used to describe the copolymerization of styrene with ethylene glycol dimethacrylate (EGDMA) beyond the gel point. Balance of species and sequences, method of moments, and numerical fractionation technique were applied in the model's kinetic description. Diffusion effects were also taken into account. The concept of elementary gel structures (EGSs) was used in order to predict textural properties of polymer particles, such as specific surface area and swollen gel volume. Suspension copolymerizations were carried out in the presence of toluene/heptane mixtures, and data on these reactions were used to assess the model's predictability. Reactivity parameters showed similarities to styrene/divinylbenzene systems. Agreement between the model and experimental data improved when diffusion effects were considered. The fitted apparent coiling factors for dry particles were found in the range of 0.368–0.406, and a linear correlation was obtained between this parameter and toluene fraction (a good solvent), being consistent with the pore formation phenomenon. [Display omitted] •A copolymerization model including post-gelation prediction was developed.•Specific surface area of gel particles can be calculated through EGS concept.•Swollen volume of particles can also be estimated during polymerization simulation.
ISSN:0032-3861
1873-2291
DOI:10.1016/j.polymer.2017.09.042