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DC Field | Value | Language |
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dc.citation.endPage | 14600 | - |
dc.citation.number | 25 | - |
dc.citation.startPage | 14593 | - |
dc.citation.title | JOURNAL OF MATERIALS CHEMISTRY A | - |
dc.citation.volume | 9 | - |
dc.contributor.author | Cho, Kyung Ho | - |
dc.contributor.author | Yoon, Ji Woong | - |
dc.contributor.author | Lee, Jeong Hyeon | - |
dc.contributor.author | Kim, Jin Chul | - |
dc.contributor.author | Kim, Kiwoong | - |
dc.contributor.author | Lee, U-Hwang | - |
dc.contributor.author | Choi, Minkee | - |
dc.contributor.author | Kwak, Sang Kyu | - |
dc.contributor.author | Chang, Jong-San | - |
dc.date.accessioned | 2023-12-21T15:39:35Z | - |
dc.date.available | 2023-12-21T15:39:35Z | - |
dc.date.created | 2021-07-13 | - |
dc.date.issued | 2021-07 | - |
dc.description.abstract | Preferential ethane adsorption from an ethane (C2H6)/ethylene (C2H4) mixture has emerged as a promising alternative to energy-intensive cryogenic distillation for obtaining high-purity ethylene. In this study, MIL-53(Al) isomorphs were prepared using various organic linkers such as 1,4-benezenedicarboxylic acid (MIL-53-BDC), 2,6-naphthalenedicarboxylic acid (MIL-53-NDCA), and 4,4 '-biphenyldicarboxylic acid (MIL-53-BPDC) to investigate their C2H6/C2H4 separation properties. C2H6/C2H4 separation performances were rigorously investigated by combining single-component gas adsorption, ideal adsorbed solution theory calculations, breakthrough experiments, and molecular simulations (Monte Carlo simulation and density functional theory calculations). All MIL-53 isomorphs exhibited preferential uptake of C2H6 in the C2H6/C2H4 mixture, among which MIL-53-NDCA exhibited a reasonably good C2H6/C2H4 selectivity (1.53) and the largest C2H6 uptake (4.24 mmol g(-1)) at 298 K and 1 bar. Molecular simulations revealed that the good C2H6/C2H4 separation performance can be attributed to efficient C-HMIDLINE HORIZONTAL ELLIPSIS pi interactions between C2H6 and the NDCA linker (Site I) and suppressed olefinic pi MIDLINE HORIZONTAL ELLIPSISOH interactions between C2H4 and mu(2)-OH groups (Site II). In the breakthrough experiment using MIL-53-NDCA, a binary mixture of C2H6/C2H4 (50/50 v/v) was separated into high-purity ethylene (>99.95%) with ethylene productivity of 11.2 L-STP kg(-1) at 298 K. | - |
dc.identifier.bibliographicCitation | JOURNAL OF MATERIALS CHEMISTRY A, v.9, no.25, pp.14593 - 14600 | - |
dc.identifier.doi | 10.1039/d1ta00366f | - |
dc.identifier.issn | 2050-7488 | - |
dc.identifier.scopusid | 2-s2.0-85108870043 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/53436 | - |
dc.identifier.url | https://pubs.rsc.org/en/content/articlelanding/2021/TA/D1TA00366F#!divAbstract | - |
dc.identifier.wosid | 000663023500001 | - |
dc.language | 영어 | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.title | Pore control of Al-based MIL-53 isomorphs for the preferential capture of ethane in an ethane/ethylene mixture | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary | - |
dc.relation.journalResearchArea | Chemistry; Energy & Fuels; Materials Science | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | METAL-ORGANIC FRAMEWORK | - |
dc.subject.keywordPlus | HIGHLY SELECTIVE ADSORPTION | - |
dc.subject.keywordPlus | OLEFIN-PARAFFIN SEPARATION | - |
dc.subject.keywordPlus | PI-COMPLEXATION | - |
dc.subject.keywordPlus | ETHYLENE | - |
dc.subject.keywordPlus | PROPYLENE | - |
dc.subject.keywordPlus | PROPANE | - |
dc.subject.keywordPlus | SITES | - |
dc.subject.keywordPlus | ADSORBENTS | - |
dc.subject.keywordPlus | CRACKING | - |
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