Publication: Dynamic Monte Carlo Simulation for Chain-Shuttling Polymerization of Olefin Block Copolymers in Continuous Stirred-Tank Reactor
Issued Date
2020-01-01
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18628338
1862832X
1862832X
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2-s2.0-85089506207
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Mahidol University
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SCOPUS
Bibliographic Citation
Macromolecular Reaction Engineering. (2020)
Suggested Citation
Tiprawee Tongtummachat, Rungrueng Ma-In, Siripon Anantawaraskul, João B.P. Soares Dynamic Monte Carlo Simulation for Chain-Shuttling Polymerization of Olefin Block Copolymers in Continuous Stirred-Tank Reactor. Macromolecular Reaction Engineering. (2020). doi:10.1002/mren.202000030 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/59030
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Title
Dynamic Monte Carlo Simulation for Chain-Shuttling Polymerization of Olefin Block Copolymers in Continuous Stirred-Tank Reactor
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Abstract
© 2020 Wiley-VCH GmbH A dynamic Monte Carlo model coupling with residence time distribution is developed to simulate chain microstructures of olefin block copolymers (OBCs) produced with the chain-shuttling polymerization in a continuous stirred-tank reactor (CSTR). The simulated results provide information on how polymer chain microstructures (i.e., average molecular weight, average comonomer content, and microstructural distributions) evolve in a CSTR system and show a good agreement with previously reported theoretical and experimental results. The model is also used to investigate effect of reaction conditions (i.e., catalyst feed compositions, monomer feed compositions, and mean residence time) on time evolution of OBC chain microstructures.