Molecular investigation of the wettability of rough surfaces using molecular dynamics simulation

2018 ◽  
Vol 20 (34) ◽  
pp. 22308-22319 ◽  
Author(s):  
Hamzeh Yaghoubi ◽  
Masumeh Foroutan
Keyword(s):  
Molecular Dynamics ◽  
Surface Roughness ◽  
Molecular Dynamics Simulation ◽  
Rough Surfaces ◽  
Dynamics Simulation ◽  
Computational Investigation ◽  
Molecular Investigation ◽  
Effect Of Surface

In the present study, a computational investigation on the effect of surface roughness on the wettability behavior of water nanodroplets has been performed via molecular dynamics simulation.

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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