Molecular Dynamics Simulations of Adsorption Processes at the Clay Mineral/Aqueous Solution Interface

2015 ◽  
pp. 257-280
Author(s):  
David M. Miller ◽  
Ching-Using Yu ◽  
Lothar Schafer ◽  
Brian J. Teppen
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulations ◽  
Clay Mineral ◽  
Solution Interface ◽  
Adsorption Processes ◽  
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.

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

Salt Crystallization from an Evaporating Aqueous Solution by Molecular Dynamics Simulations

2003 ◽  
Vol 107 (33) ◽  
pp. 8271-8274 ◽  
Author(s):  
Martin Mucha ◽  
Pavel Jungwirth
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulations ◽  
Salt Crystallization ◽  
Dynamics Simulations
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