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Nanomaterials (Basel)

Title:		"The Complexity of Comparative Adsorption of C(6) Hydrocarbons (Benzene, Cyclohexane, n-Hexane) at Metal-Organic Frameworks"
Author(s):		Jansen C; Assahub N; Spiess A; Liang J; Schmitz A; Xing S; Gokpinar S; Janiak C;
Address:		"Institut fur Anorganische Chemie und Strukturchemie, Heinrich-Heine-Universitat, D-40225 Dusseldorf, Germany. Microtrac Retsch GmbH, Retsch-Allee 1-5, D-42781 Haan, Germany"
Journal Title:		Nanomaterials (Basel)
Year:		2022
Volume:		20221015
Issue:		20
Page Number:		-
DOI:		10.3390/nano12203614
ISSN/ISBN:		2079-4991 (Print) 2079-4991 (Electronic) 2079-4991 (Linking)
Abstract:		"The relatively stable MOFs Alfum, MIL-160, DUT-4, DUT-5, MIL-53-TDC, MIL-53, UiO-66, UiO-66-NH(2), UiO-66(F)(4), UiO-67, DUT-67, NH(2)-MIL-125, MIL-125, MIL-101(Cr), ZIF-8, ZIF-11 and ZIF-7 were studied for their C(6) sorption properties. An understanding of the uptake of the larger C(6) molecules cannot simply be achieved with surface area and pore volume (from N(2) sorption) but involves the complex micropore structure of the MOF. The maximum adsorption capacity at p p(0)(-1) = 0.9 was shown by DUT-4 for benzene, MIL-101(Cr) for cyclohexane and DUT-5 for n-hexane. In the low-pressure range from p p(0)(-1) = 0.1 down to 0.05 the highest benzene uptake is given by DUT-5, DUT-67/UiO-67 and MIL-101(Cr), for cyclohexane and n-hexane by DUT-5, UiO-67 and MIL-101(Cr). The highest uptake capacity at p p(0)(-1) = 0.02 was seen with MIL-53 for benzene, MIL-125 for cyclohexane and DUT-5 for n-hexane. DUT-5 and MIL-101(Cr) are the MOFs with the widest pore window openings/cross sections but the low-pressure uptake seems to be controlled by a complex combination of ligand and pore-size effect. IAST selectivities between the three binary mixtures show a finely tuned and difficult to predict interplay of pore window size with (critical) adsorptive size and possibly a role of electrostatics through functional groups such as NH(2)"
Keywords:		C6 volatile organic compounds (VOCs) IAST selectivity benzene adsorption cyclohexane adsorption metal-organic frameworks (MOFs) n-hexane adsorption vapor adsorption zeolitic imidazolate frameworks (ZIFs);
Notes:		"PubMed-not-MEDLINEJansen, Christian Assahub, Nabil Spiess, Alex Liang, Jun Schmitz, Alexa Xing, Shanghua Gokpinar, Serkan Janiak, Christoph eng Ja466-43/1/Deutsche Forschungsgemeinschaft/ Switzerland 2022/10/28 Nanomaterials (Basel). 2022 Oct 15; 12(20):3614. doi: 10.3390/nano12203614"