scholarly journals Investigations on oil detachment from rough surfaces in an aqueous solution

RSC Advances ◽  
2017 ◽  
Vol 7 (49) ◽  
pp. 31049-31060 ◽  
Author(s):  
W. K. Xie ◽  
Y. Z. Sun ◽  
H. T. Liu ◽  
F. H. Zhang
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Aluminum Oxide ◽  
Molecular Dynamics Simulations ◽  
Rough Surfaces ◽  
Oxide Surfaces ◽  
Dynamics Simulations

Herein, detachment of oil molecules from perfect and defective aluminum oxide surfaces in an aqueous solution was investigated using atomistic molecular dynamics simulations.

scholarly journals Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations

2017 ◽  
Vol 19 (10) ◽  
pp. 6909-6920 ◽  
Author(s):  
Tatsuhiko Ohto ◽  
Johannes Hunger ◽  
Ellen H. G. Backus ◽  
Wataru Mizukami ◽  
Mischa Bonn ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulations ◽  
Surface Activity ◽  
Vibrational Spectroscopy ◽  
Biological Function ◽  
Molecular Simulations ◽  
Structure Surface ◽  
Dynamics Simulations ◽  
Hydrophilicity And Hydrophobicity

Vibrational spectroscopy and molecular simulations revealed the hydrophilicity and hydrophobicity of TMAO in aqueous solution.

Thermal Conductivity in Thin Silicon Nanowires with Rough Surfaces by Molecular Dynamics Simulations

2010 ◽  
Author(s):  
Xueming Yang ◽  
Albert C. To ◽  
Jane W. Z. Lu ◽  
Andrew Y. T. Leung ◽  
Vai Pan Iu ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Silicon Nanowires ◽  
Rough Surfaces ◽  
Thin Silicon ◽  
Dynamics Simulations

scholarly journals Molecular-Dynamics Simulations of C- and N-Terminal Peptide Derivatives of GCN4-p1 in Aqueous Solution

2005 ◽  
Vol 2 (8) ◽  
pp. 1086-1104 ◽  
Author(s):  
John H. Missimer ◽  
Michel O. Steinmetz ◽  
Wolfgang Jahnke ◽  
Fritz K. Winkler ◽  
Wilfred F. van Gunsteren ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulations ◽  
Peptide Derivatives ◽  
C And N ◽  
Dynamics Simulations ◽  
Derivatives Of

Molecular dynamics simulations of lanthanum oxide surfaces

Ionics ◽  
2014 ◽  
Vol 20 (8) ◽  
pp. 1111-1116 ◽  
Author(s):  
Mou Fang ◽  
Stephen P. Kelty ◽  
Xiangming He
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lanthanum Oxide ◽  
Oxide Surfaces ◽  
Dynamics Simulations
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