Heterogeneity in Crosslinked Polymer Networks: Molecular Dynamics Simulations

2017 ◽  
pp. 39-65 ◽  
Author(s):  
D. M. Kroll ◽  
S. G. Croll
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Crosslinked Polymer ◽  
Dynamics Simulations

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.

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.

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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