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

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 C(4) alkene versus alkane selectivity stems from π–d chemical interactions, where...

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Detalles Bibliográficos
Autores principales: Thakkar, Jay, Guo, Winters Kexi, Janik, Michael J., Zhang, Xueyi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295132/
https://www.ncbi.nlm.nih.gov/pubmed/35919152
http://dx.doi.org/10.1039/d2ra00817c
Descripción
Sumario: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 C(4) alkene versus alkane selectivity stems from π–d chemical interactions, whereas selectivity differences among butenes stem from steric implications.

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