Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II. Issue 32 (19th July 2022)

• Record Type: Journal Article
• Authors: Thakkar, Jay; Guo, Winters Kexi; Janik, Michael J.; Zhang, Xueyi
• Is Part Of: RSC advances. Volume 12:Issue 32(2022)
• Page Start: 20599
• Page End: 20602
• Publication Date: 2022-07-19
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d2ra00817c
• Languages: English
• ISSNs: 2046-2069

Abstract

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. 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.