In Silico Screening of Metal-Organic Frameworks and Zeolites for He/N 2 Separation

In silico screening of 10,143 metal-organic frameworks (MOFs) and 218 all-silica zeolites for adsorption-based and membrane-based He and N separation was performed. As a result of geometry-based prescreening, structures having zero accessible surface area (ASA) and pore limiting diameter (PLD) less...

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Veröffentlicht in:	Molecules (Basel, Switzerland) Switzerland), 2022-12, Vol.28 (1)
Hauptverfasser:	Grenev, Ivan V, Gavrilov, Vladimir Yu
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon Dioxide - chemistry Helium Metal-Organic Frameworks - chemistry Nitrogen - chemistry Zeolites - chemistry
Online-Zugang:	Volltext
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