Interfacial structure of water/methanol mixture in contact with graphene surface using molecular dynamics simulation

2015 ◽  
Vol 2015 (6) ◽  
pp. P06033 ◽  
Author(s):  
Nehzat Safaei ◽  
Ali Maghari
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Graphene Surface ◽  
Structure Of Water ◽  
Methanol Mixture

Selective dispersion of neutral nanoplate and the interfacial structure of copolymers based on the coarse-grained molecular dynamics simulation

Soft Matter ◽  
2021 ◽  
Author(s):  
Jun Qin ◽  
Xing Li ◽  
Qing Lv ◽  
Min He ◽  
Mengyu Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Coarse Grained Molecular Dynamics

The selective dispersion of neutral nanoplates (NNP) and the control of the interfacial structure of copolymers is challenging. In this work, we employ coarse-grained molecular dynamics (CGMD) to investigate the...

Structure of water molecules in aqueous maltose and cellobiose solutions using molecular dynamics simulation. I. Statics

2003 ◽  
Vol 624 (1-3) ◽  
pp. 129-144 ◽  
Author(s):  
Myco Umemura ◽  
Soichi Hayashi ◽  
Tetsuo Nakagawa ◽  
Shgenobu Yamanaka ◽  
Hiroshi Urakawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Structure Of Water

Interfacial Structure of Toluene at an Ionic Liquid/Vapor Interface: A Molecular Dynamics Simulation Investigation

2015 ◽  
Vol 119 (18) ◽  
pp. 9966-9972 ◽  
Author(s):  
Francois Delaunay ◽  
Alfredo-Santiago Rodriguez-Castillo ◽  
Annabelle Couvert ◽  
Abdeltif Amrane ◽  
Pierre-Francois Biard ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Interfacial Structure ◽  
Dynamics Simulation ◽  
Vapor Interface ◽  
Liquid Vapor
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