Effect of surface hydrophobicity on the dynamics of water at the nanoscale confinement: A molecular dynamics simulation study

2013 ◽  
Vol 421 ◽  
pp. 68-76 ◽  
Author(s):  
Niharendu Choudhury
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Surface Hydrophobicity ◽  
Dynamics Simulation ◽  
Effect Of Surface

Molecular dynamics simulation study of xyloglucan adsorption on cellulose surfaces: effects of surface hydrophobicity and side-chain variation

Cellulose ◽  
2013 ◽  
Vol 21 (2) ◽  
pp. 1025-1039 ◽  
Author(s):  
Zhen Zhao ◽  
Vincent H. Crespi ◽  
James D. Kubicki ◽  
Daniel J. Cosgrove ◽  
Linghao Zhong
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Surface Hydrophobicity ◽  
Dynamics Simulation ◽  
Side Chain

Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

2018 ◽  
Vol 20 (40) ◽  
pp. 25883-25891 ◽  
Author(s):  
Dwadasi Balarama Sridhar ◽  
Rakesh Gupta ◽  
Beena Rai
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Surface Coverage ◽  
Dynamics Simulation ◽  
Effect Of Surface

The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

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