Dynamic Monte Carlo Simulation for Chain-Shuttling Polymerization of Olefin Block Copolymers in Continuous Stirred-Tank Reactor

被引：9

作者：

Tongtummachat, Tiprawee ^{[1
]}

Ma-In, Rungrueng ^{[2
]}

Anantawaraskul, Siripon ^{[2
,3
]}

Soares, Joao B. P. ^{[4
]}

机构：

[1] Mahidol Univ, Fac Engn, Dept Chem Engn, 25-25 Puttamonthon 4 Rd, Salaya 73170, Nakhon Pathom, Thailand

[2] Kasetsart Univ, Dept Chem Engn, Ctr Excellence Petrochem & Mat Technol, 50 Ngamwongwan Rd, Bangkok 10900, Thailand

[3] Kasetsart Univ, Ctr Adv Studies Nanotechnol & Its Applicat Chem F, Bangkok 10900, Thailand

[4] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 1H9, Canada

来源：

MACROMOLECULAR REACTION ENGINEERING | 2020年 / 14卷 / 06期

关键词：

chain-shuttling polymerization; dynamic Monte Carlo simulation; olefin block copolymers (OBCs); polyethylene (PE); residence time distribution; ETHYLENE; FRACTIONATION; EVOLUTION; KINETICS; SYSTEM;

D O I：

10.1002/mren.202000030

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

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.

引用

页数：13

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