Molecular dynamics modeling and simulations of a single-walled carbon-nanotube-resonator encapsulating a finite nanoparticle

2011 ◽  
Vol 50 (9) ◽  
pp. 2741-2744 ◽  
Author(s):  
Jong Won Yoon ◽  
Ho Jung Hwang
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Modeling And Simulations ◽  
Dynamics Modeling ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Molecular Dynamics Modeling ◽  
Carbon Nanotube Resonator

Molecular dynamics modeling and simulation of water desalination through a double-walled carbon nanotube with moiré pattern

2022 ◽  
pp. 1-9
Author(s):  
Xuan Hu ◽  
Shaofan Li
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Water Permeability ◽  
Water Desalination ◽  
Dynamics Modeling ◽  
Promising Alternative ◽  
Single Walled Carbon Nanotube ◽  
Moire Pattern ◽  
Moiré Pattern ◽  
Molecular Dynamics Modeling

Freshwater scarcity has emerged as a major challenge of our time. Under this context, the importance of an efficient and energy-saving water desalination method is highlighted. In recent years, carbon nanotube (CNT) membrane characterizing with high permeability has attracted much attention in research, and it is regarded as a promising alternative to the conventional reverse osmosis technology. This work aims at numerically investigating the water desalination ability of a novel type of CNT membrane structure, namely the double-walled carbon nanotube (DWCNT) with Moiré pattern. After establishing the physical CNT models and running the molecular dynamics (MD) simulation of the water desalination system, it is found that both the single-walled carbon nanotube (SWCNT) and DWCNT can desalinate the seawater successfully while the water permeability of DWCNT is at least 18.9% higher than that of SWCNT within the same time. As far as the Moiŕe pattern adopted in this study is concerned, the water permeability of DWCNT without Moiŕe pattern is 18.6% higher than that with Moiré pattern.

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