Electric field triggered release of gas from a quasi-one-dimensional hydrate in the carbon nanotube

Nanoscale ◽  
2020 ◽  
Vol 12 (24) ◽  
pp. 12801-12808
Author(s):  
Jiaxian Li ◽  
Hangjun Lu ◽  
Xiaoyan Zhou
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Electric Field ◽  
Gas Hydrates ◽  
Md Simulations ◽  
Triggered Release ◽  
Nitrogen Gas ◽  
Single Walled Carbon Nanotube ◽  
One Dimensional ◽  
Single Walled Carbon

We systematically investigate the effects of an axial electric field on the formation and decomposition of quasi-one-dimensional nitrogen gas hydrates within a single-walled carbon nanotube (SWNT) by using molecular dynamics (MD) simulations.

scholarly journals One-Dimensional Organic-Inorganic Nanocomposite Synthesized with Single-Walled Carbon Nanotube Templates

Materials ◽  
2014 ◽  
Vol 7 (8) ◽  
pp. 5858-5865 ◽  
Author(s):  
Wei Li ◽  
Aili Wei ◽  
Huaiping Zhang ◽  
Dojin Kim
Keyword(s):  
Carbon Nanotube ◽  
Single Walled Carbon Nanotube ◽  
One Dimensional ◽  
Single Walled Carbon

Molecular dynamics simulations of single-walled carbon nanotubes and polynylon66

2019 ◽  
Vol 33 (23) ◽  
pp. 1950258 ◽  
Author(s):  
Danhui Zhang ◽  
Houbo Yang ◽  
Zhongkui Liu ◽  
Anmin Liu
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
High Performance ◽  
Single Walled Carbon Nanotubes ◽  
Md Simulations ◽  
Interfacial Interaction ◽  
Radius Of Gyration ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Polynylon66, as a kind of important engineering plastics, is widely used in various fields. In this work, we studied the interfacial interactions between polynylon66 and single-walled carbon nanotubes (SWCNTs) using molecular dynamics (MD) simulations. The results showed that the polynylon66 could interact with the SWCNTs and the mechanism of interfacial interaction between polynylon66 and SWCNTs was also discussed. Furthermore, the morphology of polynylon66 adsorbed to the surface of SWCNTs was investigated by the radius of gyration. Influence factors such as the initial angle between polynylon66 chain and nanotube axis, SWCNT radius and length of polynylon66 on interfacial adhesion of single-walled carbon nanotube-polymer and the radius of gyration of the polymers were studied. These results will help to better understand the interfacial interaction between polymer and carbon nanotube (CNT) and also guide the fabrication of high performance polymer/carbon nanotube nanocomposites.

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