Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations

2020 ◽  
Vol 22 (45) ◽  
pp. 26351-26363
Author(s):  
Hassan Ghermezcheshme ◽  
Hesam Makki ◽  
Mohsen Mohseni ◽  
Morteza Ebrahimi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Aqueous Interfaces ◽  
Polyurethane Networks ◽  
Interfacial Segregation ◽  
Underlying Mechanisms ◽  
Dynamics Simulations

Brush formation of polymer networks with hydrophilic dangling chains and its underlying mechanisms.

Exploring secondary interactions and the role of temperature in moisture-contaminated polymer networks through molecular simulations

Soft Matter ◽  
2021 ◽  
Vol 17 (10) ◽  
pp. 2942-2956
Author(s):  
Rishabh D. Guha ◽  
Ogheneovo Idolor ◽  
Katherine Berkowitz ◽  
Melissa Pasquinelli ◽  
Landon R. Grace
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Temperature Variation ◽  
Polymer Networks ◽  
Molecular Simulations ◽  
Effect Of Temperature ◽  
Secondary Interactions ◽  
Dynamics Simulations ◽  
Secondary Bonding

We investigated the effect of temperature variation on the secondary bonding interactions between absorbed moisture and epoxies with different morphologies using molecular dynamics simulations.

Coarse-grained molecular dynamics simulations of ionic polymer networks

2008 ◽  
Vol 12 (3) ◽  
pp. 205-220 ◽  
Author(s):  
T. E. Dirama ◽  
V. Varshney ◽  
K. L. Anderson ◽  
J. A. Shumaker ◽  
J. A. Johnson
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Coarse Grained ◽  
Ionic Polymer ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Molecular Dynamics Simulations of Polymer Networks Undergoing Sequential Cross-Linking and Scission Reactions

2007 ◽  
Vol 40 (1) ◽  
pp. 131-139 ◽  
Author(s):  
Dana R. Rottach ◽  
John G. Curro ◽  
Joanne Budzien ◽  
Gary S. Grest ◽  
Carsten Svaneborg ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Cross Linking ◽  
Dynamics Simulations

Molecular dynamics simulations of gas diffusion through polymer networks

1990 ◽  
Vol 23 (21) ◽  
pp. 4653-4657 ◽  
Author(s):  
J. Sonnenburg ◽  
J. Gao ◽  
J. H. Weiner
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Gas Diffusion ◽  
Dynamics Simulations
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