Membranes, Volume 9, Issue 8
2019 August - 14 articles
Cover Story: 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 - Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
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