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Helge Bux, Christian Chmelik, Jasper M. van Baten, Rajamani Krishna and Jürgen Caro Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling Advanced Materials 22

Article first published online: 2 SEP 2010 | DOI: 10.1002/adma.201002066

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The predicted permeation selectivity of a binary gas mixture for a metal-organic framework ZIF-8 membrane was estimated from combined Grand Canonical Monte Carlo (GCMC) simulations and infrared microscopy (IRM) data and compared with permeation measurements on a ZIF-8 membrane. It is shown that membrane selectivity can be predicted and hence porous materials can be preselected for membrane applications thus saving time and effort in R&D.

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