Water permeability of poly(ethylene terephthalate): A grand canonical ensemble molecular dynamics simulation study

2009 ◽  
Vol 131 (23) ◽  
pp. 234904 ◽  
Author(s):  
Hossein Eslami ◽  
Florian Müller-Plathe
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Water Permeability ◽  
Ethylene Terephthalate ◽  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Dynamics Simulation ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene ◽  
Grand Canonical

Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

2010 ◽  
Vol 114 (2) ◽  
pp. 786-795 ◽  
Author(s):  
Qifei Wang ◽  
David J. Keffer ◽  
Simioan Petrovan ◽  
J. Brock Thomas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ethylene Terephthalate ◽  
Dynamics Simulation ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene
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