个人信息Personal Information
副教授
硕士生导师
性别:男
毕业院校:哈尔滨工业大学
学位:博士
所在单位:化工海洋与生命学院
学科:化学工程. 能源化工. 功能材料化学与化工
办公地点:D01-312A
联系方式:0427-2631809
电子邮箱:liuanmin@dlut.edu.cn
Formation of polynylon12/carbon nanotubes composites through self-coiling process: a molecular dynamic simulation
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论文类型:期刊论文
发表时间:2020-06-18
发表刊物:JOURNAL OF NANOPARTICLE RESEARCH
收录刊物:SCIE
卷号:22
期号:7
ISSN号:1388-0764
关键字:Nylon12; Carbon nanotube; Molecular dynamics simulation; Nanocomposites
摘要:Nylon12, a kind of polyamide with long carbon chain, who has low density, low melting point, good thermal stability, and high decomposition temperature, is widely used in various fields, such as automobile system pipeline, chemical petroleum pipeline, and hydraulic transmission system. In the present work, the nylon12 self-coiling into the single-walled carbon nanotubes was studied by the molecular dynamics simulations. The results display that the nylon12 can coil into the inside of carbon nanotubes spontaneously and form a helical structure finally. Furthermore, the morphology of nylon12 self-coiling into the inside of single-walled carbon nanotubes was investigated by mean square displacement, the radius of gyration, radial distribution function, and so on. Moreover, the influence factors such as the number of polymer chain, the layer-number of nanotube were also discussed in detail. These results will help to better understand the interaction between nylon and CNT and also guide the fabrication of high performance polymer/CNT nanocomposites.