Grand Canonical Monte Carlo Modeling of Anesthetic Xe Separation from Exhale Gas Mixtures Using Metal Organic Frameworks

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dc.contributor.authorGurdal, Yeliz
dc.date.accessioned2025-01-06T17:22:42Z
dc.date.available2025-01-06T17:22:42Z
dc.date.issued2019
dc.departmentAdana Alparslan Türkeş Bilim ve Teknoloji Üniversitesi
dc.description.abstractXe has been shown to be a promising candidate for anesthetic applications. However, its high price preventsits usage in clinical industry. An alternative approach is to recover Xe from anesthetic exhale gas mixture andrecycle it to the inhale gas stream. Although, many membranes and/or adsorbents have been proposed forrecovering anesthetic Xe, using metal organic frameworks (MOFs) for adsorption based separation ofanesthetic Xe exhale gas mixtures has been newly studied. MOFs have tunable pore sizes, large surface areas,and high porosities which make them potential candidates for gas separation applications. Currently, very littleis known about anesthetic Xe recovery performances of MOFs. We theoretically investigate adsorption basedseparation of single component and binary mixtures of CO2, Xe, and N2 in three MOFs, namely CECYOY,SUDBOI, and ZUQPOQ. Single component and binary adsorption isotherms and adsorption selectivities arecalculated using Grand Canonical Monte Carlo simulations for each MOF in order to characterize theirperformances as adsorbents. Results suggest that while MOFs prefer adsorption of CO2 for CO2/Xe mixture,Xe adsorption is favorable in the case of Xe/N2 mixture. While SUDBOI shows significantly large CO2adsorption selectivity for CO2/Xe mixture, ZUQPOQ has the largest adsorption selectivity for Xe/N2 mixture.
dc.identifier.doi10.18185/erzifbed.653429
dc.identifier.endpage1714
dc.identifier.issn1307-9085
dc.identifier.issn2149-4584
dc.identifier.issue3
dc.identifier.startpage1705
dc.identifier.trdizinid385841
dc.identifier.urihttps://doi.org/10.18185/erzifbed.653429
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/385841
dc.identifier.urihttps://hdl.handle.net/20.500.14669/465
dc.identifier.volume12
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofErzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241211
dc.subjectNanobilim ve Nanoteknoloji
dc.subjectFizik
dc.subjectAtomik ve Moleküler Kimya
dc.subjectMühendislik
dc.subjectKimya
dc.subjectKimya
dc.subjectİnorganik ve Nükleer
dc.titleGrand Canonical Monte Carlo Modeling of Anesthetic Xe Separation from Exhale Gas Mixtures Using Metal Organic Frameworks
dc.typeArticle

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