期刊
MACROMOLECULAR REACTION ENGINEERING
卷 3, 期 4, 页码 185-209出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mren.200800051
关键词
ATRP; diffusion; methylmethacrylate; molar mass distribution; kinetic modeling
资金
- The Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT Vlaanderen)
- Belgian Government [IAP/IUAP/PAI P6/27]
A methodology for kinetic modeling of atom transfer radical polymerization is developed allowing to calculate the monomer conversion, the fraction of polymer molecules having end group functionality, the full molar mass distribution (MMD) of the dormant polymer and the number, mass, and z based average molar mass of the dead and dormant polymer. The developed methodology is based on an extension of the method of moments and allows an accurate description of the contribution of the polymer molecules with a high molar mass to the MMD of the polymer. Diffusional limitations on all considered reaction steps are systematically accounted for. Simulation results are in good agreement with experimental observations. Moreover, the methodology allows a detailed description of the broadness and the skewness of the MMD of the polymer.
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