scholarly journals Viscoelastic Properties of Polymer-Grafted Nanoparticle Composites from Molecular Dynamics Simulations

2015 ◽  
Vol 48 (4) ◽  
pp. 1240-1255 ◽  
Author(s):  
Gregory D. Hattemer ◽  
Gaurav Arya
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Viscoelastic Properties ◽  
Dynamics Simulations ◽  
Grafted Nanoparticle ◽  
Nanoparticle Composites

Modeling gas transport in polymer-grafted nanoparticle membranes

Soft Matter ◽  
2019 ◽  
Vol 15 (3) ◽  
pp. 424-432 ◽  
Author(s):  
J. Wesley Barnett ◽  
Sanat K. Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Gas Transport ◽  
Gas Diffusion ◽  
Coarse Grained ◽  
Dynamics Simulations ◽  
Grafted Nanoparticle ◽  
Matrix Free ◽  
Coarse Grained Molecular Dynamics

We show that coarse-grained molecular dynamics simulations do not capture experimental trends for the gas diffusion in matrix-free polymer-grafted nanoparticle-based membranes.

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