Mechanism of water separation from a gaseous mixture via nanoporous graphene using molecular dynamics simulation

RSC Advances ◽  
2015 ◽  
Vol 5 (99) ◽  
pp. 81282-81294 ◽  
Author(s):  
Mehdi Darvishi ◽  
Masumeh Foroutan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Water Molecule ◽  
Interaction Energy ◽  
Graphene Sheet ◽  
Gaseous Mixture ◽  
Dynamics Simulation ◽  
Water Separation ◽  
Nanoporous Graphene

Interaction energy between a water molecule with carbon atoms of graphene sheet.

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.

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