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Separation of Amyl Alcohol Isomers in ZIF‐77
Author(s) -
BuenoPerez Rocio,
GutiérrezSevillano Juan J.,
Dubbeldam David,
Merkling Patrick J.,
Calero Sofia
Publication year - 2015
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201500319
Subject(s) - zeolitic imidazolate framework , nanoporous , branching (polymer chemistry) , adsorption , chemistry , imidazolate , separation (statistics) , alcohol , separation method , chemical engineering , metal organic framework , organic chemistry , chromatography , engineering , machine learning , computer science
The separation of pentanol isomer mixtures is shown to be very efficient using the nanoporous adsorbent zeolitic imidazolate framework ZIF‐77. Through molecular simulations, we demonstrate that this material achieves a complete separation of linear from monobranched—and these from dibranched—isomers. Remarkably, the adsorption and diffusion behaviors follow the same decreasing trend, produced by the channel size of ZIF‐77 and the guest shape. This separation based on molecular branching applies to alkanes and alcohols and promises to encompass numerous other functional groups.