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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

Please use this url to cite or link to this publication:

Chicago
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.
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.
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.
MLA
Toloza Porras, Carolina, Dagmar D’hooge, Paul Van Steenberge, 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 7.7 (2013): 311–326. Print.
@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-Fran\c{c}oise and Marin, Guy},
  issn         = {1862-832X},
  journal      = {MACROMOLECULAR REACTION ENGINEERING},
  keyword      = {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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