Publisher DOI: 10.1002/ejic.201600695
Title: Olefin/Paraffin Separation Potential of ZIF-9 and ZIF-71: A Combined Experimental and Theoretical Study
Language: English
Authors: Bendt, Stephan 
Hovestadt, Maximilian 
Böhme, Ulrike 
Paula, Carolin 
Döpken, Merle 
Hartmann, Martin 
Keil, Frerich 
Keywords: Adsorption;Gas separation;Metal-organic frameworks;Molecular modeling;Zeolite analogues;Zeolites
Issue Date: 2016
Source: European Journal of Inorganic Chemistry 27 (2016): 4440-4449 (2016)
Journal: European journal of inorganic chemistry 
Abstract (english): 
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.
URI: http://hdl.handle.net/11420/5928
ISSN: 1434-1948
Institute: Chemische Reaktionstechnik V-2 
Document Type: Article
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