Oil-water separation performance of aligned single walled carbon nanotubes membrane: A reactive molecular dynamics simulation study

2021 ◽  
Vol 321 ◽  
pp. 114174 ◽  
Author(s):  
Yi Liu ◽  
Bing Yang ◽  
Jie Xu ◽  
Hui Zhao ◽  
Yongdian He
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Single Walled Carbon Nanotubes ◽  
Dynamics Simulation ◽  
Separation Performance ◽  
Water Separation ◽  
Reactive Molecular Dynamics ◽  
Oil Water Separation ◽  
Oil Water ◽  
Walled Carbon Nanotubes

Molecular investigation of oil–water separation using PVDF polymer by molecular dynamic simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (78) ◽  
pp. 74124-74134 ◽  
Author(s):  
Mehdi Darvishi ◽  
Masumeh Foroutan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Water Separation ◽  
Molecular Investigation ◽  
Poly Vinylidene Fluoride ◽  
Adsorption Of Water ◽  
Oil Water Separation ◽  
Oil Water

In this study, adsorption of water nanodroplets, oil nanodroplets and oil–water mixtures on a poly vinylidene fluoride (PVDF) surface is investigated using molecular dynamics simulation and a mechanism for adsorption of the droplets is proposed.

Understanding enzymatic degradation of single-walled carbon nanotubes triggered by functionalization using molecular dynamics simulation

2017 ◽  
Vol 4 (3) ◽  
pp. 720-727 ◽  
Author(s):  
Ming Chen ◽  
Guangming Zeng ◽  
Piao Xu ◽  
Yi Zhang ◽  
Danni Jiang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Horseradish Peroxidase ◽  
Enzymatic Degradation ◽  
Single Walled Carbon Nanotubes ◽  
Dynamics Simulation ◽  
Single Walled Carbon ◽  
Degrading Enzymes ◽  
Walled Carbon Nanotubes

Interactions of SWCNTs with their degrading enzymes (horseradish peroxidase and lactoperoxidase) during biodegradation.

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