Table of Contents
Membranes, Volume 9, Issue 8 (August 2019) – 14 articles
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Cover Story (view full-size image) Molecular simulations are playing an increasingly important role in the design of tailor-made [...] Read more. Molecular simulations are playing an increasingly important role in the design of tailor-made materials and in understanding and predicting the permeability and selectivity properties of polymer-based membranes. The broad spectra of length and time scales that govern the permeation performance of glassy polymers necessitate the development of hierarchical molecular simulation methods. This review discusses the challenges that emanate from the multiscale problem and presents molecular modeling approaches for the study of the diffusion and sorption of small penetrants in dense glassy polymers. View this paper