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Kinetic modeling of ICAR ATRP

Dagmar D'hooge UGent, Dominik konkolewicz, Marie-Françoise Reyniers UGent, Guy Marin UGent and Krzysztof Matyjaszewski (2012) MACROMOLECULAR THEORY AND SIMULATIONS. 21(1). p.52-69
abstract
Kinetic modeling is used to better understand and optimize initiators for continuous activator regeneration atom-transfer radical polymerization (ICAR ATRP). The polymerization conditions are adjusted as a function of the ATRP catalyst reactivity for two monomers, methyl methacrylate and styrene. In order to prepare a well-controlled ICAR ATRP process with a low catalyst amount (ppm level), a sufficiently low initial concentration of conventional radical initiator relative to the initial ATRP initiator is required. In some cases, stepwise addition of a conventional radical initiator is needed to reach high conversion. Under such conditions, the equilibrium of the activation/deactivation process for macromolecular species can be established already at low conversion.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
modeling, METHYL-METHACRYLATE, livingness, N-BUTYL ACRYLATE, TRANSFER RADICAL POLYMERIZATION, EVALUATED RATE COEFFICIENTS, CHAIN-END FUNCTIONALITY, REDUCING AGENTS, ELECTRON-TRANSFER, kinetics (polym), control, atom-transfer radical polymerization (ATRP), COPOLYMERIZATION, ACTIVATION PROCESS, STYRENE
journal title
MACROMOLECULAR THEORY AND SIMULATIONS
Macromol. Theory Simul.
volume
21
issue
1
pages
52 - 69
Web of Science type
Article
Web of Science id
000298845100006
JCR category
POLYMER SCIENCE
JCR impact factor
1.606 (2012)
JCR rank
36/82 (2012)
JCR quartile
2 (2012)
ISSN
1022-1344
DOI
10.1002/mats.201100076
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
2059908
handle
http://hdl.handle.net/1854/LU-2059908
date created
2012-03-05 15:41:54
date last changed
2012-03-20 15:41:29
@article{2059908,
  abstract     = {Kinetic modeling is used to better understand and optimize initiators for continuous activator regeneration atom-transfer radical polymerization (ICAR ATRP). The polymerization conditions are adjusted as a function of the ATRP catalyst reactivity for two monomers, methyl methacrylate and styrene. In order to prepare a well-controlled ICAR ATRP process with a low catalyst amount (ppm level), a sufficiently low initial concentration of conventional radical initiator relative to the initial ATRP initiator is required. In some cases, stepwise addition of a conventional radical initiator is needed to reach high conversion. Under such conditions, the equilibrium of the activation/deactivation process for macromolecular species can be established already at low conversion.},
  author       = {D'hooge, Dagmar and konkolewicz, Dominik and Reyniers, Marie-Fran\c{c}oise and Marin, Guy and Matyjaszewski, Krzysztof},
  issn         = {1022-1344},
  journal      = {MACROMOLECULAR THEORY AND SIMULATIONS},
  keyword      = {modeling,METHYL-METHACRYLATE,livingness,N-BUTYL ACRYLATE,TRANSFER RADICAL POLYMERIZATION,EVALUATED RATE COEFFICIENTS,CHAIN-END FUNCTIONALITY,REDUCING AGENTS,ELECTRON-TRANSFER,kinetics (polym),control,atom-transfer radical polymerization (ATRP),COPOLYMERIZATION,ACTIVATION PROCESS,STYRENE},
  language     = {eng},
  number       = {1},
  pages        = {52--69},
  title        = {Kinetic modeling of ICAR ATRP},
  url          = {http://dx.doi.org/10.1002/mats.201100076},
  volume       = {21},
  year         = {2012},
}

Chicago
D’hooge, Dagmar, Dominik konkolewicz, Marie-Françoise Reyniers, Guy Marin, and Krzysztof Matyjaszewski. 2012. “Kinetic Modeling of ICAR ATRP.” Macromolecular Theory and Simulations 21 (1): 52–69.
APA
D’hooge, D., konkolewicz, D., Reyniers, M.-F., Marin, G., & Matyjaszewski, K. (2012). Kinetic modeling of ICAR ATRP. MACROMOLECULAR THEORY AND SIMULATIONS, 21(1), 52–69.
Vancouver
1.
D’hooge D, konkolewicz D, Reyniers M-F, Marin G, Matyjaszewski K. Kinetic modeling of ICAR ATRP. MACROMOLECULAR THEORY AND SIMULATIONS. 2012;21(1):52–69.
MLA
D’hooge, Dagmar, Dominik konkolewicz, Marie-Françoise Reyniers, et al. “Kinetic Modeling of ICAR ATRP.” MACROMOLECULAR THEORY AND SIMULATIONS 21.1 (2012): 52–69. Print.