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 alkene alkane selectivity stems from π-d chemical interactions, whereas selectivity differences among butenes stem from steric implications.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295132 | PMC |
| http://dx.doi.org/10.1039/d2ra00817c | DOI Listing |
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Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II.
RSC Adv
July 2022
Department of Chemical Engineering, The Pennsylvania State University, University Park Pennsylvania 16802 USA
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 alkene alkane selectivity stems from π-d chemical interactions, whereas selectivity differences among butenes stem from steric implications.
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