Molecular dynamics simulation of diffusion of simple gas molecules in a short chain polymer

1990 ◽  
Vol 92 (9) ◽  
pp. 5643-5652 ◽  
Author(s):  
Hisao Takeuchi ◽  
Keiji Okazaki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Short Chain ◽  
Chain Polymer ◽  
Gas Molecules

Molecular dynamics simulation of extension-induced crystallization of branched bimodal HDPE: Unraveling the effects of short chain branches

2021 ◽  
Author(s):  
Yiran Cao ◽  
Li Zhao ◽  
Jieqi Wang ◽  
Yunqi Shao ◽  
Xuelian He
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Short Chain ◽  
Induced Crystallization

The bimodal HDPE models were designed for extension-induced crystallization imitating the architecture of industrial bimodal HDPE copolymerized with ethylene and 1-butene, 1-hexene, or 1-octene. Crystallites of bimodal HDPE experienced the...

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