Molecular Dynamics Simulations of Intercalated Poly(ε-Caprolactone)-Montmorillonite Clay Nanocomposites

2004 ◽  
Vol 108 (30) ◽  
pp. 10678-10686 ◽  
Author(s):  
Fabrice Gardebien ◽  
Anouk Gaudel-Siri ◽  
Jean-Luc Brédas ◽  
Roberto Lazzaroni
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Montmorillonite Clay ◽  
Clay Nanocomposites ◽  
Dynamics Simulations

Molecular dynamics simulation of strong interaction mechanisms at wet interfaces in clay–polysaccharide nanocomposites

2014 ◽  
Vol 2 (25) ◽  
pp. 9541-9547 ◽  
Author(s):  
Yan Wang ◽  
Jakob Wohlert ◽  
Lars A. Berglund ◽  
Yaoquan Tu ◽  
Hans Ågren
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Strong Interaction ◽  
Montmorillonite Clay ◽  
Dynamics Simulation ◽  
Interaction Mechanisms ◽  
Dynamics Simulations

The thermodynamics of xyloglucan adsorption to montmorillonite clay in water was studied with molecular dynamics simulations.

scholarly journals Molecular mechanisms for the adhesion of chitin and chitosan to montmorillonite clay

RSC Advances ◽  
2015 ◽  
Vol 5 (67) ◽  
pp. 54580-54588 ◽  
Author(s):  
Yan Wang ◽  
Jakob Wohlert ◽  
Malin Bergenstråhle-Wohlert ◽  
Yaoquan Tu ◽  
Hans Ågren
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Mechanisms ◽  
Montmorillonite Clay ◽  
Wet Adhesion ◽  
Chitin And Chitosan ◽  
Dynamics Simulations

Molecular dynamics simulations were used to study the wet adhesion of chitin and chitosan oligomers to montmorillonite clay.

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