NH3 as unique non-classical content-former within clathrate hydrates

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dc.contributor.authorMaslakci, Zafer
dc.contributor.authorDevlin, J. Paul
dc.contributor.authorUras-Aytemiz, Nevin
dc.date.accessioned2024-09-29T16:01:10Z
dc.date.available2024-09-29T16:01:10Z
dc.date.issued2017
dc.departmentKarabük Üniversitesien_US
dc.description.abstractHigh quality FTIR spectra of aerosols of NH3-THF and NH3-TMO binary clathrate hydrates (CHs) have been measured. Our recently developed all-vapor sub-second approach to clathrate-hydrate formation combined with computational studies has been used to identify vibrational spectroscopic signatures of NH3 within the gas hydrates. The present study shows that there are three distinct NH3 types, namely, classical small-cage NH3, nonclassical small-cage NH3, and NH3 within the hydrate network. The network ammonia does not directly trigger the non-classical CH structure. Rather, the ammonia within the network structure perturbs the water bonding, introducing orientational defects that are stabilized by small and/or large cage guest molecules through H-bonding. This unusual behavior of NH3 within CHs opens a possibility for catalytic action of NH3 during CH-formation. Furthermore, impacts over time of the small-cage NH3-replacement molecules CO2 and CH4 on the structure and composition of the ternary CHs have been noted. Published by AIP Publishing.en_US
dc.description.sponsorshipNational Science Foundation (NSF) [CHE-1213732, CHE-1566600]; Karabuk University, Turkey [KBU-BAP-13/2-DR-001]en_US
dc.description.sponsorshipSupport of this research by the National Science Foundation (NSF) through Grant Nos. CHE-1213732 and CHE-1566600 is gratefully acknowledged. N.U.-A. is appreciative of partial support for this project by Karabuk University, Turkey, through Grant No. KBU-BAP-13/2-DR-001. Z.M. and N.U.-A. also thank Hasan Ozsoy for help with the computer coding.en_US
dc.identifier.doi10.1063/1.4985668
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.issue23en_US
dc.identifier.pmid28641420en_US
dc.identifier.scopus2-s2.0-85021079587en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1063/1.4985668
dc.identifier.urihttps://hdl.handle.net/20.500.14619/5563
dc.identifier.volume146en_US
dc.identifier.wosWOS:000404051000016en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAip Publishingen_US
dc.relation.ispartofJournal of Chemical Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectInfrared-Spectraen_US
dc.subjectIceen_US
dc.subjectAmmoniaen_US
dc.subjectConversionen_US
dc.subjectDynamicsen_US
dc.subjectHclen_US
dc.titleNH3 as unique non-classical content-former within clathrate hydratesen_US
dc.typeArticleen_US

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