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Dynamic Monte Carlo Simulation for Chain‐Shuttling Polymerization of Olefin Block Copolymers in Continuous Stirred‐Tank Reactor
Author(s) -
Tongtummachat Tiprawee,
MaIn Rungrueng,
Anantawaraskul Siripon,
Soares João B. P.
Publication year - 2020
Publication title -
macromolecular reaction engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 32
eISSN - 1862-8338
pISSN - 1862-832X
DOI - 10.1002/mren.202000030
Subject(s) - comonomer , continuous stirred tank reactor , materials science , copolymer , residence time (fluid dynamics) , monte carlo method , polymer chemistry , molar mass distribution , polymerization , residence time distribution , polymer , monomer , dynamic simulation , chemical engineering , thermodynamics , chemistry , simulation , computer science , composite material , physics , mathematics , inclusion (mineral) , statistics , geotechnical engineering , engineering
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.