Novel MOF‐Membrane for Molecular Sieving Predicted by IR‐Diffusion Studies and Molecular Modeling | Zendy

Bux Helge | Zendy; Chmelik Christian | Zendy; van Baten Jasper M. | Zendy; Krishna Rajamani | Zendy; Caro Jürgen | Zendy

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Novel MOF‐Membrane for Molecular Sieving Predicted by IR‐Diffusion Studies and Molecular Modeling

Author(s) -

Bux Helge,

Chmelik Christian,

van Baten Jasper M.,

Krishna Rajamani,

Caro Jürgen

Publication year - 2010

Publication title -

advanced materials

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 10.707

H-Index - 527

eISSN - 1521-4095

pISSN - 0935-9648

DOI - 10.1002/adma.201002066

Subject(s) - permeation , membrane , selectivity , diffusion , materials science , monte carlo method , binary number , chemical engineering , thermodynamics , organic chemistry , chemistry , physics , biochemistry , statistics , mathematics , arithmetic , catalysis , engineering

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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