Molecular dynamics simulation of diffusion of O2 and CO2 in amorphous poly(ethylene terephthalate) and related aromatic polyesters

Dumitru Pavel; Robert Shanks

doi:10.1016/j.polymer.2003.08.016

Molecular dynamics simulation of diffusion of O2 and CO2 in amorphous poly(ethylene terephthalate) and related aromatic polyesters

Polymer ◽

10.1016/j.polymer.2003.08.016 ◽

2003 ◽

Vol 44 (21) ◽

pp. 6713-6724 ◽

Cited By ~ 35

Author(s):

Dumitru Pavel ◽

Robert Shanks

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Terephthalate ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene ◽

Aromatic Polyesters

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Chain Dynamics and Relaxation in Amorphous Poly(ethylene terephthalate): A Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/ma0106797 ◽

2001 ◽

Vol 34 (20) ◽

pp. 7219-7229 ◽

Cited By ~ 28

Author(s):

Sylke U. Boyd ◽

Richard H. Boyd

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Ethylene Terephthalate ◽

Dynamics Simulation ◽

Chain Dynamics ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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

The Journal of Chemical Physics ◽

10.1063/1.3274805 ◽

2009 ◽

Vol 131 (23) ◽

pp. 234904 ◽

Cited By ~ 18

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

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Molecular dynamics simulation study on the structural properties of poly (ethylene terephthalate) under uniaxial extension and thermal shrinkage processes

Current Applied Physics ◽

10.1016/j.cap.2017.10.019 ◽

2018 ◽

Vol 18 (1) ◽

pp. 19-26 ◽

Cited By ~ 2

Author(s):

Ki Chul Kim ◽

Seung Soon Jang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Properties ◽

Simulation Study ◽

Ethylene Terephthalate ◽

Uniaxial Extension ◽

Dynamics Simulation ◽

Thermal Shrinkage ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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Molecular dynamics simulation of diffusion of O2 and CO2 in blends of amorphous poly(ethylene terephthalate) and related polyesters

Polymer ◽

10.1016/j.polymer.2005.05.085 ◽

2005 ◽

Vol 46 (16) ◽

pp. 6135-6147 ◽

Cited By ~ 39

Author(s):

Dumitru Pavel ◽

Robert Shanks

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Terephthalate ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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Molecular Dynamics Simulation of Amorphous Poly(ethylene terephthalate)

Macromolecules ◽

10.1021/ma9714124 ◽

1998 ◽

Vol 31 (5) ◽

pp. 1556-1564 ◽

Cited By ~ 39

Author(s):

M. S. Hedenqvist ◽

R. Bharadwaj ◽

R. H. Boyd

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Terephthalate ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

The Journal of Physical Chemistry B ◽

10.1021/jp909762j ◽

2010 ◽

Vol 114 (2) ◽

pp. 786-795 ◽

Cited By ~ 29

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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Structure and Mobility of Poly(ethylene terephthalate): A Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/ma901780e ◽

2009 ◽

Vol 42 (21) ◽

pp. 8241-8250 ◽

Cited By ~ 28

Author(s):

Hossein Eslami ◽

Florian Müller-Plathe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Ethylene Terephthalate ◽

Dynamics Simulation ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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Photophysical properties, intermolecular interactions, and molecular dynamics of poly(ethylene terephthalate)

The Journal of Physical Chemistry ◽

10.1021/j100185a067 ◽

1992 ◽

Vol 96 (6) ◽

pp. 2767-2772

Author(s):

John P. LaFemina ◽

Donald R. Carter ◽

Michael B. Bass

Keyword(s):

Molecular Dynamics ◽

Intermolecular Interactions ◽

Ethylene Terephthalate ◽

Photophysical Properties ◽

Poly Ethylene Terephthalate ◽

Poly Ethylene

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Molecular Dynamics Simulation of Unsaturated Polyesters Modified by Poly(Ethylene Glycol) end Groups

Progress and Trends in Rheology V ◽

10.1007/978-3-642-51062-5_161 ◽

1998 ◽

pp. 340-341

Author(s):

I. Neelov ◽

S. Niemelä ◽

F. Sundholm ◽

M. Skrifvars

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ethylene Glycol ◽

Dynamics Simulation ◽

Poly Ethylene Glycol ◽

Unsaturated Polyesters ◽

End Groups ◽

Poly Ethylene

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Glass transition in single poly(ethylene oxide) chain: A molecular dynamics simulation study

Journal of Polymer Science Part B Polymer Physics ◽

10.1002/polb.24255 ◽

2016 ◽

Vol 55 (2) ◽

pp. 178-188 ◽

Cited By ~ 12

Author(s):

Chaofu Wu

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Molecular Dynamics Simulation ◽

Ethylene Oxide ◽

Simulation Study ◽

Dynamics Simulation ◽

Poly Ethylene Oxide ◽

Ethylene Oxide Chain ◽

Poly Ethylene

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