TY - JOUR
T1 - Continuous ATRP synthesis of block-like copolymers via column reactors
T2 - Design and validation of a kinetic model
AU - Dervaux, Bart
AU - Junkers, Thomas
AU - Barner-Kowollik, Christopher
AU - Du Prez, Filip E.
PY - 2009/11/1
Y1 - 2009/11/1
N2 - 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.
AB - 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.
KW - Atom transfer radical polymerization (ATRP)
KW - Block-like copolymer
KW - Continuous flow reactor
KW - PREDICI
KW - Simulations
UR - http://www.scopus.com/inward/record.url?scp=77955743539&partnerID=8YFLogxK
U2 - 10.1002/mren.200900046
DO - 10.1002/mren.200900046
M3 - Article
AN - SCOPUS:77955743539
SN - 1862-832X
VL - 3
SP - 529
EP - 538
JO - Macromolecular Reaction Engineering
JF - Macromolecular Reaction Engineering
IS - 9
ER -