Olefin/Paraffin Separation Potential of ZIF‐9 and ZIF‐71: A Combined Experimental and Theoretical Study. Issue 27 (16th August 2016)

• Record Type: Journal Article
• Authors: Bendt, Stephan; Hovestadt, Maximilian; Böhme, Ulrike; Paula, Carolin; Döpken, Merle; Hartmann, Martin; Keil, Frerich J.
• Other Names: Dietzel Pascal D. C. guestEditor.; Kitagawa Hiroshi guestEditor.
• Is Part Of: European journal of inorganic chemistry. Issue 27(2016)
• Page Start: 4440
• Page End: 4449
• Publication Date: 2016-08-16
• Subjects: Metal‐organic frameworks -- Zeolites -- Zeolite analogues -- Adsorption -- Gas separation -- Molecular modeling; Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.201600695
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract : Two zeolitic imidazolate frameworks, ZIF‐9 and ZIF‐71, are evaluated by adsorption experiments and molecular simulations with respect to their potential towards olefin/paraffin separation. Pure component adsorption isotherms are measured and compared to grand‐canonical Monte–Carlo (GCMC) simulations. The experiments show that the adsorption of the paraffin is favorable over the olefin in both structures. Whereas the isotherms are predicted well by simulations for ZIF‐71, in case of ZIF‐9 only the saturation loading could be computed accurately because the latter material seems to undergo a so‐called gate‐opening effect upon adsorption of guest molecules; ZIF‐71 does not show this effect. Both structures show promising results with respect to olefin/paraffin separation. Abstract : Experimental adsorption isotherms of ethane, ethene, propane, and propene on the metal‐organic frameworks ZIF‐71 and ZIF‐9 have been compared to simulated isotherms, showing the potential of predicting the separation behavior of rigid and flexible adsorbents by grand canonical Monte–Carlo simulation.