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I. Sbarski on Muck Rack

I. Sbarski

As seen in: Color Research & Application
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Diffusion of low molecular weight permeants through semicrystalline polymers: Combining molecular dynamics with semi-empirical models

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By K. R. Prasad, C. Doherty, M. Nikzad, I. Sbarski
| Color Research & Application Verified
In this study, a Molecular Dynamics (MD) based computational approach was used to study the diffusion of oxygen through a model semicrystalline polymer, namely Linear Low density Polyethylene (LLDPE). The simulated molecules were validated by comparing the predicted properties with experimental values of available free volumes, in atomic scale, using Positron Annihilation Lifetime Spectroscopy (PALS) and measured values of density.
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