Journal
MACROMOLECULAR THEORY AND SIMULATIONS
Volume 21, Issue 1, Pages 52-69Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.201100076
Keywords
atom-transfer radical polymerization (ATRP); control; kinetics (polym; ); livingness; modeling
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Funding
- National Science Foundation [CHE 10-26060]
- Fund for Scientific Research Flanders (FWO)
- Interuniversity Attraction Poles Programme - Belgian State-Belgian Science Policy
- Flemish Government
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1026060] Funding Source: National Science Foundation
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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.
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