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Understanding the Microstructure of Living Ethylene/1‐Octene Block Copolymers with Dynamic Monte Carlo Simulation
Author(s) -
Tongtummachat Tiprawee,
Anantawaraskul Siripon,
Soares João B. P.
Publication year - 2017
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201700012
Subject(s) - comonomer , microstructure , copolymer , monte carlo method , materials science , octene , ethylene , polymer , polymer chemistry , chemistry , composite material , organic chemistry , mathematics , statistics , catalysis
Living ethylene/1‐olefin copolymerization with multiple comonomer feeding stages allows the production of living block copolymers (LBCs) with well‐controlled microstructures. A dynamic Monte Carlo model is developed to simulate the production of LBCs in a semibatch reactor, and it is used to study how the polymer microstructure evolves during the polymerization. The model also describes how chain transfer reactions affect the microstructure of LBC blocks. These model predictions provide useful guidelines for producing LBCs with precisely designed microstructures.