Reactivity ratios of comonomers from a single MALDI-ToF-MS measurement at one feed composition

S. Huijser, G.D. Mooiweer, R.W. Hofstad, van der, B.B.P. Staal, J. Feenstra, A.M. Herk, van, C.E. Koning, R. Duchateau

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Abstract

The reactivity ratios in a copolymerization are needed to predict the microstructure (random, gradient, block or alternating) of the produced copolymer. This microstructure reflects on the physical properties of the polymeric material. Conventional ways to determine these reactivity ratios demand in most cases tedious laboratory work and several experiments at different monomer feed compositions. Here, a novel method is described to derive these ratios from a single MALDI-ToF-MS spectrum obtained at one feed composition by employing either a Monte Carlo approach to numerically simulate a first order Markov chain or the analytical form of the first order Markov chain. A single MALDI-ToF-MS spectrum proved to give very good estimates of the reactivity ratios of comonomers from copolymer's synthesized by free radical polymerization, ring-opening polymerization of lactones and lactides, or ring-opening copolymerization of anhydrides plus epoxides.
Original languageEnglish
Pages (from-to)4500-4510
JournalMacromolecules
Volume45
Issue number11
DOIs
Publication statusPublished - 2012

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Markov processes
Copolymerization
Copolymers
Microstructure
Anhydrides
Epoxy Compounds
Ring opening polymerization
Lactones
Free radical polymerization
Chemical analysis
Physical properties
Monomers
Polymers
Experiments
dilactide

Cite this

Huijser, S., Mooiweer, G. D., Hofstad, van der, R. W., Staal, B. B. P., Feenstra, J., Herk, van, A. M., ... Duchateau, R. (2012). Reactivity ratios of comonomers from a single MALDI-ToF-MS measurement at one feed composition. Macromolecules, 45(11), 4500-4510. https://doi.org/10.1021/ma300400d
Huijser, S. ; Mooiweer, G.D. ; Hofstad, van der, R.W. ; Staal, B.B.P. ; Feenstra, J. ; Herk, van, A.M. ; Koning, C.E. ; Duchateau, R. / Reactivity ratios of comonomers from a single MALDI-ToF-MS measurement at one feed composition. In: Macromolecules. 2012 ; Vol. 45, No. 11. pp. 4500-4510.
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abstract = "The reactivity ratios in a copolymerization are needed to predict the microstructure (random, gradient, block or alternating) of the produced copolymer. This microstructure reflects on the physical properties of the polymeric material. Conventional ways to determine these reactivity ratios demand in most cases tedious laboratory work and several experiments at different monomer feed compositions. Here, a novel method is described to derive these ratios from a single MALDI-ToF-MS spectrum obtained at one feed composition by employing either a Monte Carlo approach to numerically simulate a first order Markov chain or the analytical form of the first order Markov chain. A single MALDI-ToF-MS spectrum proved to give very good estimates of the reactivity ratios of comonomers from copolymer's synthesized by free radical polymerization, ring-opening polymerization of lactones and lactides, or ring-opening copolymerization of anhydrides plus epoxides.",
author = "S. Huijser and G.D. Mooiweer and {Hofstad, van der}, R.W. and B.B.P. Staal and J. Feenstra and {Herk, van}, A.M. and C.E. Koning and R. Duchateau",
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Huijser, S, Mooiweer, GD, Hofstad, van der, RW, Staal, BBP, Feenstra, J, Herk, van, AM, Koning, CE & Duchateau, R 2012, 'Reactivity ratios of comonomers from a single MALDI-ToF-MS measurement at one feed composition', Macromolecules, vol. 45, no. 11, pp. 4500-4510. https://doi.org/10.1021/ma300400d

Reactivity ratios of comonomers from a single MALDI-ToF-MS measurement at one feed composition. / Huijser, S.; Mooiweer, G.D.; Hofstad, van der, R.W.; Staal, B.B.P.; Feenstra, J.; Herk, van, A.M.; Koning, C.E.; Duchateau, R.

In: Macromolecules, Vol. 45, No. 11, 2012, p. 4500-4510.

Research output: Contribution to journalArticleAcademicpeer-review

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AU - Duchateau, R.

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