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Continuous ATRP synthesis of block-like copolymers via column reactors : design and validation of a kinetic model

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Organization
Abstract
A model for the block-like copolymerization via continuous supported ATRP was developed, enabling the calculation of the sequence distributions of the different monomers as a function of chain length in continuous flow reactors. Polydispersity indices, copolymer compositions, and complete molecular weight distributions could be predicted. The model was extensively tested under a wide range of reaction conditions and the outcome was compared with experimental data. An almost perfect match between the simulated and experimental kinetic data (first order kinetic plots, conversions, and PDI) was observed. A reasonable fit for the composition data of the copolymers was obtained. The influence of the flow rate in the column reactor on the copolymer composition was studied
Keywords
TRANSFER RADICAL POLYMERIZATION, simulations, ACTIVATION RATE CONSTANTS, N-BUTYL ACRYLATE, METHYL-METHACRYLATE, MONTE-CARLO-SIMULATION, SUPPORTED CATALYST, ELECTRON-TRANSFER, CHAIN TRANSFER, RATE COEFFICIENTS, STYRENE, continuous flow reactor, atom transfer radical polymerization (ATRP), block-like copolymer, PREDICI (R)

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MLA
Dervaux, Bart, Thomas Junkers, Christopher Barner-Kowollik, et al. “Continuous ATRP Synthesis of Block-like Copolymers via Column Reactors : Design and Validation of a Kinetic Model.” MACROMOLECULAR REACTION ENGINEERING 3.9 (2009): 529–538. Print.
APA
Dervaux, B., Junkers, T., Barner-Kowollik, C., & Du Prez, F. (2009). Continuous ATRP synthesis of block-like copolymers via column reactors : design and validation of a kinetic model. MACROMOLECULAR REACTION ENGINEERING, 3(9), 529–538.
Chicago author-date
Dervaux, Bart, Thomas Junkers, Christopher Barner-Kowollik, and Filip Du Prez. 2009. “Continuous ATRP Synthesis of Block-like Copolymers via Column Reactors : Design and Validation of a Kinetic Model.” Macromolecular Reaction Engineering 3 (9): 529–538.
Chicago author-date (all authors)
Dervaux, Bart, Thomas Junkers, Christopher Barner-Kowollik, and Filip Du Prez. 2009. “Continuous ATRP Synthesis of Block-like Copolymers via Column Reactors : Design and Validation of a Kinetic Model.” Macromolecular Reaction Engineering 3 (9): 529–538.
Vancouver
1.
Dervaux B, Junkers T, Barner-Kowollik C, Du Prez F. Continuous ATRP synthesis of block-like copolymers via column reactors : design and validation of a kinetic model. MACROMOLECULAR REACTION ENGINEERING. 2009;3(9):529–38.
IEEE
[1]
B. Dervaux, T. Junkers, C. Barner-Kowollik, and F. Du Prez, “Continuous ATRP synthesis of block-like copolymers via column reactors : design and validation of a kinetic model,” MACROMOLECULAR REACTION ENGINEERING, vol. 3, no. 9, pp. 529–538, 2009.
@article{826595,
  abstract     = {A model for the block-like copolymerization via continuous supported ATRP was developed, enabling the calculation of the sequence distributions of the different monomers as a function of chain length in continuous flow reactors. Polydispersity indices, copolymer compositions, and complete molecular weight distributions could be predicted. The model was extensively tested under a wide range of reaction conditions and the outcome was compared with experimental data. An almost perfect match between the simulated and experimental kinetic data (first order kinetic plots, conversions, and PDI) was observed. A reasonable fit for the composition data of the copolymers was obtained. The influence of the flow rate in the column reactor on the copolymer composition was studied},
  author       = {Dervaux, Bart and Junkers, Thomas and Barner-Kowollik, Christopher and Du Prez, Filip},
  issn         = {1862-832X},
  journal      = {MACROMOLECULAR REACTION ENGINEERING},
  keywords     = {TRANSFER RADICAL POLYMERIZATION,simulations,ACTIVATION RATE CONSTANTS,N-BUTYL ACRYLATE,METHYL-METHACRYLATE,MONTE-CARLO-SIMULATION,SUPPORTED CATALYST,ELECTRON-TRANSFER,CHAIN TRANSFER,RATE COEFFICIENTS,STYRENE,continuous flow reactor,atom transfer radical polymerization (ATRP),block-like copolymer,PREDICI (R)},
  language     = {eng},
  number       = {9},
  pages        = {529--538},
  title        = {Continuous ATRP synthesis of block-like copolymers via column reactors : design and validation of a kinetic model},
  url          = {http://dx.doi.org/10.1002/mren.200900046},
  volume       = {3},
  year         = {2009},
}

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