Diffusion of gas through polymer bulk: Computer simulation approach (original) (raw)

Molecular dynamics simulation of diffusion of simple gas molecules in a short chain polymer

Robert A Shanks

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Correlations with and prediction of activation energies of gas permeation and diffusion in glassy polymers

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A molecular simulation study on gas diffusion in a dense poly(ether–ether–ketone) membrane

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An Experimental and Theoretical Investigation into the Diffusion of Olefins in Semi-Crystalline Polymers: The Influence of Swelling in Polymer-Penetrant Systems

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Diffusivity of Multicomponent Gas Mixtures in Polyethylene

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Molecular dynamics simulation of diffusion of O 2 and CO 2 in blends of amorphous poly (ethylene terephthalate) and related polyesters

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Dynamics of Small Molecules in Bulk Polymers

Ulrich Suter

Atomistic Modeling of Physical Properties, 1994

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Influence of crystallinity on gas transprt in polymeric films

Jorge A Horas

Polymer Engineering & Science, 1999

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Small‐Molecule Diffusion in Semicrystalline Polymers as Revealed by Experimental and Simulation Studies

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Motion and sorption of gas molecules in poly(octadecyl acrylate)

David Zanuy

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Molecular modelling simulation of gas transport in amorphous polyimide and poly(amide imide) membrane materials

Detlev Fritsch

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How to predict diffusion of medium-sized molecules in polymer matrices. From atomistic to coarse grain simulations

Simone Vesentini

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Detailed Atomistic Simulation of the Segmental Dynamics and Barrier Properties of Amorphous Poly(ethylene terephthalate) and Poly(ethylene isophthalate)

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Gas Transport in Glassy Polymers

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Diffusion in polymeric systems–A review on free volume theory

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