| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 72948 | Microporous and Mesoporous Materials | 2014 | 9 Pages |
•Ion-exchanging can enhance propane/propylene separation performance of ZMOFs as adsorbents.•Electrostatic interactions dominates the separation characteristics of ZMOFs.•sod-ZMOFs exhibit higher propylene selectivity over propane while rho-ZMOFs show higher working capacity.•Completely K+ ion-exchanged sod-ZMOF have the highest propylene selectivity.
Propane/propylene separation performances of zeolite-like metal organic frameworks with rhombic and sodalite topologies (rho- and sod-ZMOFs) were estimated via Monte Carlo simulations over a wide range of pressure in order to evaluate their potential use in pressure swing adsorption applications. Extra-framework cation locations of the “as-synthesized” ZMOFs were identified based on the available experimental data. Selectivities and working capacities before and after the ion exchange of ZMOFs with Li+, Na+, and K+ ions were compared, by considering partially and completely ion-exchanged structures. Results showed that the difference in the dipole moments of propane and propylene is the dominant factor in separation and ion-exchanging enhances the propylene selectivity of ZMOFs. The enhancement is especially significant in sod-ZMOF structures for which a ten-fold increase in the selectivities was obtained, although their working capacities remained lower than those of rho-ZMOF structures.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
