Yıl 2019, Cilt 8 , Sayı 3, Sayfalar 1009 - 1018 2019-09-30

Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures
Zeolitik-İmidazolat İskelet Yapılarının Adsorpsiyon ve Difüzyon-bazlı Soy-gaz Karışımı Ayırma Potansiyellerinin Hesapsal Yöntemlerle İncelenmesi

Yeliz GÜRDAL DURĞUN [1]


Zeolite imidazolate frameworks (ZIFs) possess exceptional chemical and thermal stabilities together with tunable pore sizes, high porosities, and large surface areas which opens new and exciting application areas of ZIFs, such as gas separation and purification. Although, there have been significant number of studies investigating syngas separation performances of ZIFs, currently very little is know about their noble gas separation performances. We, therefore, computationally investigate adsorption and membrane oriented Xe/Kr and Xe/Ar separation performances of ZIF-6, ZIF-60, ZIF-65, and ZIF-79. Single component and mixture gas uptakes, Xe adsorption selectivities, gas permeabilities, and Xe permeation selectivities are predicted for all ZIFs under consideration. Our results suggest that while ZIF-79 is ideal for adsorption-based Xe separation, ZIF-60 can be considered as a promising candidate for membrane oriented separation of Xe.


Zeolitik-imidazolat iskelet yapılarının (ZIF), yüksek kimyasal ve termal stabiliteye sahip olmalarının yanısıra ayarlanabilir gözenek boyutları, yüksek gözeneklilikleri ve geniş yüzey alanına sahip olmaları; ZIF’ler için gaz ayırma ve saflaştırma gibi yeni ve ilgi çekici bir uygulama alanı oluşturmuştur. ZIF'lerin sentez gazları saflaştırma performanslarını araştıran çok sayıda çalışma olmasına rağmen, soy-gaz ayırma performansları hakkında çok az bilgi birikimi mevcuttur. Bu nedenle, çalışmamızda ZIF-6, ZIF-60, ZIF-65 ve ZIF-79'un adsorpsiyon ve difüzyona dayalı Xe/Kr ve Xe/Ar ayırma performanslarının hesaplamalı yöntemlerle araştırılması amaçlanmıştır. Tek bileşenli ve karışım gaz adsorpsiyonları, Xe adsorpsiyon seçiciliği, gaz geçirgenliği ve Xe geçirgenlik seçiciliği araştırdığımız ZIF'ler için tahmin edilmiştir. Sonuçlarımız, ZIF-79'un adsorpsiyona dayalı Xe ayrımı için ideal olmasına rağmen, ZIF-60'ın Xe'nin membran bazlı ayırımı için umut vaadeden bir aday olarak kabul edilebileceğini göstermektedir.


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Birincil Dil en
Konular Fen
Bölüm Araştırma Makalesi
Yazarlar

Orcid: 0000-0002-6245-891X
Yazar: Yeliz GÜRDAL DURĞUN (Sorumlu Yazar)
Kurum: ADANA SCIENCE AND TECHNOLOGY UNIVERSITY
Ülke: Turkey


Tarihler

Yayımlanma Tarihi : 30 Eylül 2019

Bibtex @araştırma makalesi { bitlisfen527828, journal = {Bitlis Eren Üniversitesi Fen Bilimleri Dergisi}, issn = {2147-3129}, eissn = {2147-3188}, address = {}, publisher = {Bitlis Eren Üniversitesi}, year = {2019}, volume = {8}, pages = {1009 - 1018}, doi = {10.17798/bitlisfen.527828}, title = {Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures}, key = {cite}, author = {GÜRDAL DURĞUN, Yeliz} }
APA GÜRDAL DURĞUN, Y . (2019). Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi , 8 (3) , 1009-1018 . DOI: 10.17798/bitlisfen.527828
MLA GÜRDAL DURĞUN, Y . "Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 (2019 ): 1009-1018 <https://dergipark.org.tr/tr/pub/bitlisfen/issue/49103/527828>
Chicago GÜRDAL DURĞUN, Y . "Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 (2019 ): 1009-1018
RIS TY - JOUR T1 - Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures AU - Yeliz GÜRDAL DURĞUN Y1 - 2019 PY - 2019 N1 - doi: 10.17798/bitlisfen.527828 DO - 10.17798/bitlisfen.527828 T2 - Bitlis Eren Üniversitesi Fen Bilimleri Dergisi JF - Journal JO - JOR SP - 1009 EP - 1018 VL - 8 IS - 3 SN - 2147-3129-2147-3188 M3 - doi: 10.17798/bitlisfen.527828 UR - https://doi.org/10.17798/bitlisfen.527828 Y2 - 2019 ER -
EndNote %0 Bitlis Eren Üniversitesi Fen Bilimleri Dergisi Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures %A Yeliz GÜRDAL DURĞUN %T Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures %D 2019 %J Bitlis Eren Üniversitesi Fen Bilimleri Dergisi %P 2147-3129-2147-3188 %V 8 %N 3 %R doi: 10.17798/bitlisfen.527828 %U 10.17798/bitlisfen.527828
ISNAD GÜRDAL DURĞUN, Yeliz . "Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 / 3 (Eylül 2019): 1009-1018 . https://doi.org/10.17798/bitlisfen.527828
AMA GÜRDAL DURĞUN Y . Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2019; 8(3): 1009-1018.
Vancouver GÜRDAL DURĞUN Y . Computational Assessment of Zeolitic-Imidazolate Frameworks (ZIFs) for Adsorption and Diffusion Based Separation of Noble Gas Mixtures. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2019; 8(3): 1018-1009.