1.
RSC Adv
; 12(32): 20599-20602, 2022 Jul 14.
Artículo
en Inglés
| MEDLINE
| ID: mdl-35919152
RESUMEN
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.