The effect of chemical functional groups and salt concentration on performance of single-layer graphene membrane in water desalination process: A molecular dynamics simulation study

2020 ◽  
Vol 301 ◽  
pp. 112478 ◽  
Author(s):  
Alireza Chogani ◽  
Ali Moosavi ◽  
Amirhossein Bagheri Sarvestani ◽  
Maryam Shariat
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Functional Groups ◽  
Simulation Study ◽  
Salt Concentration ◽  
Single Layer ◽  
Water Desalination ◽  
Dynamics Simulation ◽  
Single Layer Graphene ◽  
Layer Graphene

scholarly journals Intrinsic high water/ion selectivity of graphene oxide lamellar membranes in concentration gradient-driven diffusion

2016 ◽  
Vol 7 (12) ◽  
pp. 6988-6994 ◽  
Author(s):  
Pengzhan Sun ◽  
Renzhi Ma ◽  
Hui Deng ◽  
Zhigong Song ◽  
Zhen Zhen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Concentration Gradient ◽  
Ion Selectivity ◽  
High Water ◽  
Water Desalination ◽  
Dynamics Simulation ◽  
Great Promise

A combined experimental and molecular dynamics simulation study shows that intrinsic high water/ion selectivity of graphene oxide lamellar membrane was achieved in concentration gradient-driven diffusion, showing great promise in water desalination.

Water desalination of a new three-dimensional covalent organic framework: a molecular dynamics simulation study

2020 ◽  
Vol 22 (29) ◽  
pp. 16978-16984 ◽  
Author(s):  
Yifan Zhang ◽  
Timing Fang ◽  
Quangang Hou ◽  
Zhen Li ◽  
Youguo Yan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Water Permeability ◽  
Three Dimensional ◽  
Rejection Rate ◽  
High Water ◽  
High Density ◽  
Water Desalination ◽  
Dynamics Simulation

Preparing a nanoporous membrane with high density and ordered pore sizes which allows high water permeability and salt rejection rate is the key to realize highly efficient desalination.

scholarly journals Molecular Dynamics Study of the Pore Formation in Single Layer Graphene Oxide by Thermal Reducing Process

2021 ◽  
Author(s):  
Federico Raffone ◽  
Filippo Savazzi ◽  
Giancarlo Cicero
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Water Permeability ◽  
Pore Formation ◽  
Single Layer ◽  
High Water ◽  
Water Desalination ◽  
Single Layer Graphene ◽  
Layer Graphene ◽  
Nanoporous Graphene

Nanoporous graphene is considered the next generation material for reverse osmosis water desalination providing both high water permeability and almost complete salt rejection. The main problem with graphene is the...

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