Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube laye...

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Bibliographic Details
Main Authors: Li, Kun, Gu, Boqin, Zhu, Wanfu
Format: Conference Proceeding
Language:English
Subjects:
Binding energy
Butadiene
Chains (polymeric)
Molecular chains
Molecular dynamics
Multi wall carbon nanotubes
Nanotubes
Nitrile rubber
Polymer matrix composites
Polymers
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Summary:A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (E b). It is shown that the binding energy (E b) increase with the number of layers.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.4977253