Efficient hexane isomers separation in isoreticular bipyrazolate metal-organic frameworks: The role of pore functionalization

Hydrocarbons separation in petrochemical industries is a key, energy-consuming stage in the manufacture of high-quality added-value products—hence the need for more efficient materials and environmentally friendly methodologies to improve this process. In this context, we have studied the effect of...

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Bibliographic Details
Published in:Nano research 2021-02, Vol.14 (2), p.532-540
Main Authors: Vismara, Rebecca, Di Nicola, Corrado, Millán, Rodrigo Gil-San, Domasevich, Kostiantyn V., Pettinari, Claudio, Navarro, Jorge A. R., Galli, Simona
Format: Article
Language:English
Subjects:
Adsorption
Alkanes
Atomic/Molecular Structure and Spectra
Biomedicine
Biotechnology
Channel pores
Chemistry and Materials Science
Computer applications
Condensed Matter Physics
Crystal structure
Decoration
Dimethylformamide
Gasoline
Hexanes
Hydrocarbons
Isomers
Ligands
Materials Science
Metal-organic frameworks
Molecular structure
Nanotechnology
Petrochemicals industry
Research Article
Separation
Thermodynamic properties
Zeolites
Zinc
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Summary:Hydrocarbons separation in petrochemical industries is a key, energy-consuming stage in the manufacture of high-quality added-value products—hence the need for more efficient materials and environmentally friendly methodologies to improve this process. In this context, we have studied the effect of metal-organic frameworks (MOFs) pore functionalization in hexane isomers separation, isolating the robust isoreticular zinc(II) bipyrazolates Zn(BPZ), showing no pore decoration, Zn(Me 2 BPZ), the pores of which are decorated with apolar methyl groups, and Zn(BPZ(NH 2 ) 2 ), the spacers of which possess polar Lewis-basic functions (H 2 BPZ = 1 H ,1′ H -4,4′-bipyrazole; H 2 Me 2 BPZ = 3,3′-dimethyl-1 H ,1′ H -4,4′-bipyrazole; H 2 BPZ(NH 2 ) 2 = 3,5-diamino-1′ H ,1′ H -4,4′-bipyrazole; DMF = dimethylformamide). After characterizing Zn(BPZ(NH 2 ) 2 ) as per its crystal structure and thermal behaviour, and all the three MOFs as per their textural properties, we investigated, from the experimental and computational points of view, the impact of the square one-dimensional channels decoration on the separation of the hexane isomers, demonstrating the relevance of pore constrictions in the resolution of the title alkanes mixture.
ISSN:1998-0124
1998-0000
DOI:10.1007/s12274-020-2812-y