Molecular Structures of the Buried Interfaces between Silicone Elastomer and Silane Adhesion Promoters Probed by Sum Frequency Generation Vibrational Spectroscopy and Molecular Dynamics Simulations

2009 ◽  
Vol 2 (1) ◽  
pp. 96-103 ◽  
Author(s):  
Anne V. Vázquez ◽  
Andrew P. Boughton ◽  
Nick E. Shephard ◽  
Susan M. Rhodes ◽  
Zhan Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Vibrational Spectroscopy ◽  
Sum Frequency Generation ◽  
Molecular Structures ◽  
Silicone Elastomer ◽  
Sum Frequency ◽  
Adhesion Promoters ◽  
Buried Interfaces ◽  
Dynamics Simulations

The study of polythiophene/water interfaces by sum-frequency generation spectroscopy and molecular dynamics simulations

2015 ◽  
Vol 3 (31) ◽  
pp. 6429-6438 ◽  
Author(s):  
S. Bellani ◽  
M. Porro ◽  
C. Caddeo ◽  
M. I. Saba ◽  
P. B. Miranda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation ◽  
Dynamics Simulations

Polythiophene/water interfaces are investigated by sum frequency generation spectroscopy and molecular dynamics simulations, showing a preferential edge-on molecular orientation.

scholarly journals Structure and sum-frequency generation spectra of water on neutral hydroxylated silica surfaces

2021 ◽  
Author(s):  
Konstantin S. Smirnov
Keyword(s):  
Molecular Dynamics ◽  
Liquid Phase ◽  
Molecular Dynamics Simulations ◽  
Structural Organization ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Silica Surfaces ◽  
Classical Molecular Dynamics ◽  
Neat Water ◽  
Dynamics Simulations

Structural organization and VSFG spectra of water on crystalline and amorphous neutral silica surfaces were investigated by classical molecular dynamics simulations. The liquid phase was represented with a neat water...

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