Dynamic Monte Carlo Simulation of Olefin Block Copolymers (OBCs) Produced via Chain-Shuttling Polymerization: Effect of Kinetic Rate Constants on Chain Microstructure

被引：12
作者：
Tongtummachat, Tiprawee [1 ]
Anantawaraskul, Siripon [1 ,2 ]
Soares, Joao B. P. [3 ]
机构：
[1] Kasetsart Univ, Dept Chem Engn, Ctr Excellence Petrochem & Mat Technol, 50 Phaholyothin Rd, Bangkok 10900, Thailand
[2] Kasetsart Univ, Ctr Adv Studies Nanotechnol & Its Applicat Chem F, Bangkok 10900, Thailand
[3] Univ Alberta, Dept Chem & Mat Engn, 9211-116 St, Edmonton, AB T6G 1H9, Canada
来源：
MACROMOLECULAR REACTION ENGINEERING | 2018年 / 12卷 / 04期
关键词：
chain shuttling polymerization; dynamic Monte Carlo simulation; modeling; olefin block copolymers (OBCs); polyethylene; DUAL CATALYSTS; ETHYLENE; EVOLUTION; MODEL;
D O I：
10.1002/mren.201800021
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
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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页数：9
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