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

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.

SUBMITTER: Thakkar J 

PROVIDER: S-EPMC9295132 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature