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A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers

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Abstract
Kinetic Monte Carlo simulations are performed to investigate the capability of ICAR ATRP for the synthesis of well-defined poly(isobornyl acrylate-b-styrene) block(-like) copolymers using one-pot semi-batch and two-pot batch procedures. The block copolymer quality is quantified via a block deviation (BD) value. For BD values lower than 0.30, the quality is defined as good and for well-chosen polymerization conditions the formation of homopolymer chains upon addition of the second monomer can be suppressed. A better block quality is obtained when isobornyl acrylate is polymerized first. For lower Cu levels a one-pot semi-batch procedure allows a much faster ATRP and better control over the polymer properties than a two-pot batch procedure.
Keywords
N-BUTYL ACRYLATE, TRANSFER RADICAL POLYMERIZATION, DIFFUSION-CONTROLLED REACTIONS, COPPER-BASED CATALYST, BLOCK-COPOLYMERS, ISOBORNYL ACRYLATE, METHYL ACRYLATE, THERMAL POLYMERIZATION, DISPERSED SYSTEMS, RATE COEFFICIENTS, atom transfer radical polymerization (ATRP), block copolymers, diffusion, kinetic Monte Carlo, kinetics (polym, )

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Citation

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MLA
Toloza Porras, Carolina, et al. “A Theoretical Exploration of the Potential of ICAR ATRP for One- and Two-Pot Synthesis of Well-Defined Diblock Copolymers.” MACROMOLECULAR REACTION ENGINEERING, vol. 7, no. 7, 2013, pp. 311–26, doi:10.1002/mren.201200085.
APA
Toloza Porras, C., D’hooge, D., Van Steenberge, P., Reyniers, M.-F., & Marin, G. (2013). A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers. MACROMOLECULAR REACTION ENGINEERING, 7(7), 311–326. https://doi.org/10.1002/mren.201200085
Chicago author-date
Toloza Porras, Carolina, Dagmar D’hooge, Paul Van Steenberge, Marie-Françoise Reyniers, and Guy Marin. 2013. “A Theoretical Exploration of the Potential of ICAR ATRP for One- and Two-Pot Synthesis of Well-Defined Diblock Copolymers.” MACROMOLECULAR REACTION ENGINEERING 7 (7): 311–26. https://doi.org/10.1002/mren.201200085.
Chicago author-date (all authors)
Toloza Porras, Carolina, Dagmar D’hooge, Paul Van Steenberge, Marie-Françoise Reyniers, and Guy Marin. 2013. “A Theoretical Exploration of the Potential of ICAR ATRP for One- and Two-Pot Synthesis of Well-Defined Diblock Copolymers.” MACROMOLECULAR REACTION ENGINEERING 7 (7): 311–326. doi:10.1002/mren.201200085.
Vancouver
1.
Toloza Porras C, D’hooge D, Van Steenberge P, Reyniers M-F, Marin G. A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers. MACROMOLECULAR REACTION ENGINEERING. 2013;7(7):311–26.
IEEE
[1]
C. Toloza Porras, D. D’hooge, P. Van Steenberge, M.-F. Reyniers, and G. Marin, “A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers,” MACROMOLECULAR REACTION ENGINEERING, vol. 7, no. 7, pp. 311–326, 2013.
@article{4129388,
  abstract     = {{Kinetic Monte Carlo simulations are performed to investigate the capability of ICAR ATRP for the synthesis of well-defined poly(isobornyl acrylate-b-styrene) block(-like) copolymers using one-pot semi-batch and two-pot batch procedures. The block copolymer quality is quantified via a block deviation (BD) value. For BD values lower than 0.30, the quality is defined as good and for well-chosen polymerization conditions the formation of homopolymer chains upon addition of the second monomer can be suppressed. A better block quality is obtained when isobornyl acrylate is polymerized first. For lower Cu levels a one-pot semi-batch procedure allows a much faster ATRP and better control over the polymer properties than a two-pot batch procedure.}},
  author       = {{Toloza Porras, Carolina and D'hooge, Dagmar and Van Steenberge, Paul and Reyniers, Marie-Françoise and Marin, Guy}},
  issn         = {{1862-832X}},
  journal      = {{MACROMOLECULAR REACTION ENGINEERING}},
  keywords     = {{N-BUTYL ACRYLATE,TRANSFER RADICAL POLYMERIZATION,DIFFUSION-CONTROLLED REACTIONS,COPPER-BASED CATALYST,BLOCK-COPOLYMERS,ISOBORNYL ACRYLATE,METHYL ACRYLATE,THERMAL POLYMERIZATION,DISPERSED SYSTEMS,RATE COEFFICIENTS,atom transfer radical polymerization (ATRP),block copolymers,diffusion,kinetic Monte Carlo,kinetics (polym,)}},
  language     = {{eng}},
  number       = {{7}},
  pages        = {{311--326}},
  title        = {{A theoretical exploration of the potential of ICAR ATRP for one- and two-pot synthesis of well-defined diblock copolymers}},
  url          = {{http://dx.doi.org/10.1002/mren.201200085}},
  volume       = {{7}},
  year         = {{2013}},
}

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