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Al-, Cr-SÜTUNLU KİLLERİN VE Cr-YERLEŞTİRİLMİŞ Al- SÜTUNLU KİLLERİN GÖZENEK YAPILARININ DFT VE DR ANALİZLERİ İLE KARAKTERİZASYONU

PORE STRUCTURE CHARACTERIZATION OF Al-, Cr-PILLARED AND Cr- INCORPORATED Al-PILLARED CLAYS BY DFT AND DR ANALYSIS

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Abstract (2. Language): 
Al-pillared clay (Al-PILC), mixed-Cr/Al PILCs (CrAl033-PILC, CrAl1-PILC) and Cr-pillared clay (Cr-PILC) were synthesized using bentonite clay from the Hançılı region in Turkey. Metal yerleştirilmiş sütunlu kil örneklerinin sıvı azot sıcaklığındaki N2 adsorpsiyon/desorpsiyon izotermleri elde edilmiş ve izoterm verileri kullanılarak gözenek yapıları ile belirlenmiştir. Adsorption and desorption isotherms of N2 at the temperature of liquid nitrogen of the metal-incorporated PILC samples were obtained and by using isotherm data, pore structures were determined by Density Functional Theory (DFT) and Dubinin-Radushkevich (DR) methods. It was observed that The Density Functional Theory (DFT) model was consistent with the experimental data for metal-incorporated pillared clay samples. The most DFT and DR micropore volume values were obtained for CrAl033-PILC calcined at 573 K as and 0.080 cm3g-1 and 0.138 cm3g-1. It was shown that micropore volume values obtained by DR method are consistent with the ones determined by SF method.
Abstract (Original Language): 
Al-sütunlu kil (Al-SK), krom-alüminyum karışık sütunlu killer (CrAl033-SK, CrAl1-SK) ve Cr-sütunlu kil (Cr- SK) Türkiye’nin Hançılı bölgesinden alınan bentonit örneği kullanılarak sentezlenmiştir. Metal yerleştirilmiş sütunlu kil örneklerinin sıvı azot sıcaklığında N2 adsorpsiyon/desorpsiyon izotermleri elde edilmiş ve izoterm verileri kullanılarak gözenek yapıları Yoğunluk Fonksiyonel Teori (Density Functional Theory DFT) ve Dubinin-Radushkevich (DR) metodları ile belirlenmiştir. DFT modelinin metal yerleştirilmiş sütunlu kil örneklerinin deneysel verisiyle uyumlu olduğu gözlenmiştir. En yüksek DFT ve DR mikrogözenek hacim değerleri 573 K de kalsine edilmiş CrAl033-SK örneği için 0,080 cm3g-1 ve 0,138 cm3g-1 olarak elde edilmiştir. DR metot ile elde edilen mikrogözenek hacim değerlerinin SF metodla belirlenmiş mikrogözenek hacim değerleri ile uyumlu olduğu görülmüştür.
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