Enhancement of surface nonwettability by grafting loops

2017 ◽  
Vol 19 (6) ◽  
pp. 4710-4718 ◽  
Author(s):  
Han-Wen Pei ◽  
Xiao-Li Liu ◽  
Hong Liu ◽  
You-Liang Zhu ◽  
Zhong-Yuan Lu
Keyword(s):  
Computer Simulation ◽  
Simulation Study ◽  
Flat Surface ◽  
Polymer Chains ◽  
Computer Simulation Study

We present a computer simulation study on the nonwettability of a flat surface tethered with deformable looped polymer chains.

The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study

2018 ◽  
Vol 20 (3) ◽  
pp. 2066-2074 ◽  
Author(s):  
Ji-Yuan Xing ◽  
Zhong-Yuan Lu ◽  
Hong Liu ◽  
Yao-Hong Xue
Keyword(s):  
Computer Simulation ◽  
Chain Length ◽  
Simulation Study ◽  
Length Distribution ◽  
Reaction Model ◽  
Polymer Chains ◽  
Polydispersity Index ◽  
Computer Simulation Study ◽  
Chain Length Distribution ◽  
Grafting Density

By constructing a grafting-to reaction model of polydispersed polymer chains to bind onto nanoparticles (NPs), we elucidate the changes of grafting density, polydispersity index and chain length distribution of grafted ligand chains as a dependence of the feeding polymer chains.

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