scholarly journals Influence of wall heterogeneity on nanoscopically confined polymers

2019 ◽  
Vol 21 (2) ◽  
pp. 772-779 ◽  
Author(s):  
Raffaele Pastore ◽  
Alessio David ◽  
Mosè Casalegno ◽  
Francesco Greco ◽  
Guido Raos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Spatial Correlation ◽  
Polymer Melt ◽  
Confined Polymers ◽  
Strongly Interacting ◽  
Dynamics Simulations

We investigate via molecular dynamics simulations the behaviour of a polymer melt confined between surfaces with increasing spatial correlation (patchiness) of weakly and strongly interacting sites.

scholarly journals The free-volume structure of a polymer melt, poly(vinyl methylether) from molecular dynamics simulations and cavity analysis

2009 ◽  
Vol 131 (6) ◽  
pp. 064903 ◽  
Author(s):  
Dušan Račko ◽  
Sara Capponi ◽  
Fernando Alvarez ◽  
Juan Colmenero ◽  
Josef Bartoš
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Free Volume ◽  
Polymer Melt ◽  
Dynamics Simulations

Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations

2020 ◽  
Vol 613 ◽  
pp. 118377 ◽  
Author(s):  
Projesh Kumar Roy ◽  
Kishant Kumar ◽  
Foram M. Thakkar ◽  
Amar Deep Pathak ◽  
K.Ganapathy Ayappa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Co2 Adsorption ◽  
Polymer Melt ◽  
Dynamics Simulations
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