Journal
MACROMOLECULAR REACTION ENGINEERING
Volume 12, Issue 4, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mren.201800021
Keywords
chain shuttling polymerization; dynamic Monte Carlo simulation; modeling; olefin block copolymers (OBCs); polyethylene
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Funding
- Faculty of Engineering, Kasetsart University
- Thailand Research Fund (TRF) through the Institutional Research Grant [IRG598004]
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Olefin block copolymers (OBCs) are thermoplastic elastomers with unique statistical multiblock structures produced by chain-shuttling polymerization. In this study, a dynamic Monte Carlo model is used to simulate the effect of changing chain-shuttling (k(CS)), catalyst deactivation (k(d)), and chain transfer (k(tr)) rate constants on the microstructure of OBCs made in a semi-batch reactor. The simulations show how each rate constant governs different aspects of the OBC chains and provide guidelines on how to fine-tune OBC microstructure to achieve precisely designed multiblock structures.
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