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Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art

Stijn Fierens (UGent) , Paul Van Steenberge (UGent) , Marie-Françoise Reyniers (UGent) , Dagmar D'hooge (UGent) and Guy Marin (UGent)
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Abstract
A detailed overview is given on the currently developed analytical and advanced kinetic models to calculate the main bulk/solution chain-growth copolymerization characteristics. A differentiation is made between the calculation of the average propagation rate coefficient/polymerization rate and compositional properties, e.g. (average) copolymer composition, segment length distribution, and monomer sequences. Both terminal and penultimate reactivity models are included and the relevance of their parameters is highlighted through case studies. Focus is first on models describing average characteristics, with particular emphasis on the strength of analytical models to determine reactivity ratios. Next more advanced models, in particular multivariate kinetic models accounting for distributions of a distinct number of microstructural variates of interest such as chain length and copolymer composition, are discussed. Finally, the more recently developed explicit or reaction event tracking models are covered, in which compositional and temporal changes are fully tracked along individual copolymer chain.
Keywords
FREE-RADICAL COPOLYMERIZATION, CHEMICAL-COMPOSITION DISTRIBUTION, MOLECULAR-WEIGHT DISTRIBUTION, N-BUTYL ACRYLATE, NITROXIDE-MEDIATED POLYMERIZATION, PULSED-LASER POLYMERIZATION, RATE-CONSTANT METHOD, MALDI-TOF-MS, METHYL-METHACRYLATE, REACTIVITY RATIOS

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MLA
Fierens, Stijn et al. “Analytical and Advanced Kinetic Models for Characterization of Chain-growth Copolymerization : the State-of-the-art.” REACTION CHEMISTRY & ENGINEERING 3.2 (2018): 128–145. Print.
APA
Fierens, S., Van Steenberge, P., Reyniers, M.-F., D’hooge, D., & Marin, G. (2018). Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art. REACTION CHEMISTRY & ENGINEERING, 3(2), 128–145.
Chicago author-date
Fierens, Stijn, Paul Van Steenberge, Marie-Françoise Reyniers, Dagmar D’hooge, and Guy Marin. 2018. “Analytical and Advanced Kinetic Models for Characterization of Chain-growth Copolymerization : the State-of-the-art.” Reaction Chemistry & Engineering 3 (2): 128–145.
Chicago author-date (all authors)
Fierens, Stijn, Paul Van Steenberge, Marie-Françoise Reyniers, Dagmar D’hooge, and Guy Marin. 2018. “Analytical and Advanced Kinetic Models for Characterization of Chain-growth Copolymerization : the State-of-the-art.” Reaction Chemistry & Engineering 3 (2): 128–145.
Vancouver
1.
Fierens S, Van Steenberge P, Reyniers M-F, D’hooge D, Marin G. Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art. REACTION CHEMISTRY & ENGINEERING. 2018;3(2):128–45.
IEEE
[1]
S. Fierens, P. Van Steenberge, M.-F. Reyniers, D. D’hooge, and G. Marin, “Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art,” REACTION CHEMISTRY & ENGINEERING, vol. 3, no. 2, pp. 128–145, 2018.
@article{8561398,
  abstract     = {A detailed overview is given on the currently developed analytical and advanced kinetic models to calculate
the main bulk/solution chain-growth copolymerization characteristics. A differentiation is made between
the calculation of the average propagation rate coefficient/polymerization rate and compositional properties,
e.g. (average) copolymer composition, segment length distribution, and monomer sequences. Both
terminal and penultimate reactivity models are included and the relevance of their parameters is
highlighted through case studies. Focus is first on models describing average characteristics, with particular
emphasis on the strength of analytical models to determine reactivity ratios. Next more advanced models,
in particular multivariate kinetic models accounting for distributions of a distinct number of microstructural
variates of interest such as chain length and copolymer composition, are discussed. Finally, the more recently
developed explicit or reaction event tracking models are covered, in which compositional and temporal
changes are fully tracked along individual copolymer chain.},
  author       = {Fierens, Stijn and Van Steenberge, Paul and Reyniers, Marie-Françoise and D'hooge, Dagmar and Marin, Guy},
  issn         = {2058-9883 },
  journal      = {REACTION CHEMISTRY & ENGINEERING},
  keywords     = {FREE-RADICAL COPOLYMERIZATION,CHEMICAL-COMPOSITION DISTRIBUTION,MOLECULAR-WEIGHT DISTRIBUTION,N-BUTYL ACRYLATE,NITROXIDE-MEDIATED POLYMERIZATION,PULSED-LASER POLYMERIZATION,RATE-CONSTANT METHOD,MALDI-TOF-MS,METHYL-METHACRYLATE,REACTIVITY RATIOS},
  language     = {eng},
  number       = {2},
  pages        = {128--145},
  title        = {Analytical and advanced kinetic models for characterization of chain-growth copolymerization : the state-of-the-art},
  url          = {http://dx.doi.org/10.1039/c7re00206h},
  volume       = {3},
  year         = {2018},
}

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