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
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author Thakkar, Jay
Guo, Winters Kexi
Janik, Michael J.
Zhang, Xueyi
author_facet Thakkar, Jay
Guo, Winters Kexi
Janik, Michael J.
Zhang, Xueyi
author_sort Thakkar, Jay
collection PubMed
description 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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spelling pubmed-92951322022-08-01 Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II Thakkar, Jay Guo, Winters Kexi Janik, Michael J. Zhang, Xueyi RSC Adv Chemistry 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. The Royal Society of Chemistry 2022-07-19 /pmc/articles/PMC9295132/ /pubmed/35919152 http://dx.doi.org/10.1039/d2ra00817c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Thakkar, Jay
Guo, Winters Kexi
Janik, Michael J.
Zhang, Xueyi
Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title_full Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title_fullStr Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title_full_unstemmed Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title_short Selective adsorption of butenes over butanes on isoreticular Ni-IRMOF-74-I and Ni-IRMOF-74-II
title_sort selective adsorption of butenes over butanes on isoreticular ni-irmof-74-i and ni-irmof-74-ii
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295132/
https://www.ncbi.nlm.nih.gov/pubmed/35919152
http://dx.doi.org/10.1039/d2ra00817c
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