{"title":"Self-crimping of multi-chain polymers into carbon nanotubes","authors":"Wendi Gong, Houbo Yang, Danhui Zhang, Ruquan Liang, Jianhui Shi, Anmin Liu","doi":"10.1680/jsuin.22.01072","DOIUrl":null,"url":null,"abstract":"In this manuscript, the self-crimping process of multi-chain polystyrene into carbon nanotube was investigated by molecular dynamics simulation. The simulation displays that the multi-chain polystyrene arranged in parallel can self-crimp into carbon nanotube and form a helix configuration. The formation mechanism illustrates that both the van der Waals potential well and the π–π stacking interaction between polystyrene and carbon nanotube play a major role in the self-assemble process. Furthermore, some factors such as the chain number of polystyrene, the length of polymer, the diameter of carbon nanotube and the simulation temperature are also investigated. Moreover, different replaced polymers are exhibited, too. This theory research can provide valuable theoretical support for design and manufacture hybrid structures in the fields of advanced composite materials and functional devices.","PeriodicalId":22032,"journal":{"name":"Surface Innovations","volume":null,"pages":null},"PeriodicalIF":2.7000,"publicationDate":"2022-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Surface Innovations","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1680/jsuin.22.01072","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In this manuscript, the self-crimping process of multi-chain polystyrene into carbon nanotube was investigated by molecular dynamics simulation. The simulation displays that the multi-chain polystyrene arranged in parallel can self-crimp into carbon nanotube and form a helix configuration. The formation mechanism illustrates that both the van der Waals potential well and the π–π stacking interaction between polystyrene and carbon nanotube play a major role in the self-assemble process. Furthermore, some factors such as the chain number of polystyrene, the length of polymer, the diameter of carbon nanotube and the simulation temperature are also investigated. Moreover, different replaced polymers are exhibited, too. This theory research can provide valuable theoretical support for design and manufacture hybrid structures in the fields of advanced composite materials and functional devices.
Surface InnovationsCHEMISTRY, PHYSICALMATERIALS SCIENCE, COAT-MATERIALS SCIENCE, COATINGS & FILMS
CiteScore
5.80
自引率
22.90%
发文量
66
期刊介绍：
The material innovations on surfaces, combined with understanding and manipulation of physics and chemistry of functional surfaces and coatings, have exploded in the past decade at an incredibly rapid pace.
Superhydrophobicity, superhydrophlicity, self-cleaning, self-healing, anti-fouling, anti-bacterial, etc., have become important fundamental topics of surface science research community driven by curiosity of physics, chemistry, and biology of interaction phenomenon at surfaces and their enormous potential in practical applications. Materials having controlled-functionality surfaces and coatings are important to the manufacturing of new products for environmental control, liquid manipulation, nanotechnological advances, biomedical engineering, pharmacy, biotechnology, and many others, and are part of the most promising technological innovations of the twenty-first century.
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