Journal
MACROMOLECULAR THEORY AND SIMULATIONS
Volume 17, Issue 7-8, Pages 359-375Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.200800050
Keywords
atom transfer radical polymerization (ATRP); kinetics (polym.); simulation; instantaneous kinetic chain length
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Funding
- National Science Foundation [CHE-07-15494]
- CRP Consortium atCMU
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The kinetics of various ATRP systems, including normal ATRP, normal ATRP in the presence of initially-added Cull, reverse ATRP and SR&NI ATRP were modeled using Predici software. The instantaneous kinetic chain length was introduced for ATRP and was used for the prediction of control over polymerization. Equations were derived to estimate the radical concentration at the quasi-steady-state. Normal ATRP experiences a continuous decrease of radical concentration leading to a decrease of polymerization rate; in contrast, SR&NI ATRP undergoes a continuous increase in radical concentration, leading to an increase of the polymerization rate. All of these ATRP methods Can afford a relatively fast polymerization rate and retain good polymerization control.
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