Effects of Large Guest Molecular Structure on Thermal Expansion Behaviors in Binary (C4H8O + CH4) Clathrate Hydrates

Cited 7 time in webofscience Cited 6 time in scopus
  • Hit : 303
  • Download : 0
DC FieldValueLanguage
dc.contributor.authorMin, Juwonko
dc.contributor.authorAhn, Yun-Hoko
dc.contributor.authorBaek, Seungjunko
dc.contributor.authorShin, Kyuchulko
dc.contributor.authorCha, Minjunko
dc.contributor.authorLee, Jae Wooko
dc.date.accessioned2019-09-24T10:20:25Z-
dc.date.available2019-09-24T10:20:25Z-
dc.date.created2019-08-07-
dc.date.created2019-08-07-
dc.date.issued2019-08-
dc.identifier.citationJOURNAL OF PHYSICAL CHEMISTRY C, v.123, no.34, pp.20705 - 20714-
dc.identifier.issn1932-7447-
dc.identifier.urihttp://hdl.handle.net/10203/267638-
dc.description.abstractInvestigating the thermal expansion of clathrate hydrates is essential for understanding their complex physicochemical properties. Although there have been various discussions on the thermal expansion, few studies have investigated the structural effect of each guest molecule. To compare the lattice expansion behaviors with cyclic and linear large guest molecules, cyclobutanol and butyraldehyde, having the same formula of C4H8O, were used as new sII hydrate formers with a help gas of CH4. In Raman spectra of the bonding characteristics, the peaks of the C-H stretching mode, O-H stretching mode, and O:H stretching phonon showed unique shift behaviors as the temperature rises. A crystallographic analysis using high-resolution powder diffraction showed that the (cyclobutanol + CH4) hydrate undergoes smaller lattice expansion than the (butyraldehyde + CH4) hydrate under thermal stimulations, and the phase equilibria showed that the cyclobutanol case involves milder formation conditions than the butyraldehyde case. These structural effects could be based on the different guest-host interactions, and molecular dynamics simulation results also show that the different thermal expansivity or molecular motion of the large guest in a hydrate cage causes these unique interactions. The results of this study provide insight into distinctive guest-host interactions depending on the guest structure and their effects on the hydrate lattice.-
dc.languageEnglish-
dc.publisherAMER CHEMICAL SOC-
dc.titleEffects of Large Guest Molecular Structure on Thermal Expansion Behaviors in Binary (C4H8O + CH4) Clathrate Hydrates-
dc.typeArticle-
dc.identifier.wosid000484075800004-
dc.identifier.scopusid2-s2.0-85071698565-
dc.type.rimsART-
dc.citation.volume123-
dc.citation.issue34-
dc.citation.beginningpage20705-
dc.citation.endingpage20714-
dc.citation.publicationnameJOURNAL OF PHYSICAL CHEMISTRY C-
dc.identifier.doi10.1021/acs.jpcc.9b04125-
dc.contributor.localauthorLee, Jae Woo-
dc.contributor.nonIdAuthorShin, Kyuchul-
dc.contributor.nonIdAuthorCha, Minjun-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusINTERMOLECULAR POTENTIAL FUNCTIONS-
dc.subject.keywordPlusATOM FORCE-FIELD-
dc.subject.keywordPlusSPECTROSCOPIC IDENTIFICATION-
dc.subject.keywordPlusCLATHRATE HYDRATE-
dc.subject.keywordPlusMETHANE INCLUSION-
dc.subject.keywordPlusSTRUCTURE-I-
dc.subject.keywordPlusEQUILIBRIUM-
dc.subject.keywordPlusTEMPERATURE-
dc.subject.keywordPlusWATER-
dc.subject.keywordPlusOXIDE-
Appears in Collection
CBE-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 7 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0