Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II

RSC Adv. 2022 Jul 19;12(32):20599-20602. doi: 10.1039/d2ra00817c. eCollection 2022 Jul 14.

ABSTRACT

The separation of butanes and butenes using MOF-74 (with two reticular MOFs with different pore sizes, Ni-IRMOF-74-I and Ni-IRMOF-74-II) was evaluated computationally using density functional theory. We identified that C4 alkene versus alkane selectivity stems from π-d chemical interactions, whereas selectivity differences among butenes stem from steric implications.

PMID:35919152 | PMC:PMC9295132 | DOI:10.1039/d2ra00817c

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