Estimation of Reactivity Ratios in the Copolymerization of Styrene and VeoVa‐10

The styrene and vinyl neodecanoate copolymerization system shows a strong tendency to form two separate homopolymers. In order to improve the feeding strategies and hence the copolymer uniformity, it is necessary to know the reactivity ratios between these monomers. The error‐in‐variables‐method (EV...

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Bibliographic Details
Published in:Macromolecular reaction engineering 2020-06, Vol.14 (3), p.n/a
Main Authors: Santos, Murilo P., Torraga, Maria G. F., Barbosa, Natália B., Tavares, Denise T., Giudici, Reinaldo
Format: Article
Language:English
Subjects:
Copolymerization
Copolymers
Fourier transforms
Gravimetry
Infrared spectroscopy
Monomers
Parameter estimation
Reactivity
reactivity ratios
Robustness (mathematics)
styrene
Styrenes
VeoVa‐10
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Summary:The styrene and vinyl neodecanoate copolymerization system shows a strong tendency to form two separate homopolymers. In order to improve the feeding strategies and hence the copolymer uniformity, it is necessary to know the reactivity ratios between these monomers. The error‐in‐variables‐method (EVM) is the most recommended mathematical procedure for estimating these parameters. Experiments on free‐radical copolymerization in solution in sealed ampoules are carried out to provide data for the conversion (via gravimetry) and fractional monomer compositions (via Fourier transform mid‐infrared (mid‐FT‐IR) spectroscopy). These data allow estimation of the reactivity ratios. EVM appropriately takes into account the experimental errors in the data and allows determination of the reactivity ratio values by the Mayo–Lewis model (r1 = 28.60 and r2 = 1.23). The convergence and robustness of the method decrease considerably with a larger discrepancy between the reactivity values. The error‐in‐variables‐method (EVM) is applied to the copolymerization of styrene and vinyl neodecanoate with a significant difference in their reactivity ratios. The EVM is used to recover reactivity ratios from copolymerization data obtained experimentally. The robustness of EVM decreases with the increase in the difference between reactivity ratios, and a systematic approach is necessary to provide reasonable initial guesses.
ISSN:1862-832X
1862-8338
DOI:10.1002/mren.202000001