Molecular simulations for adsorptive separation of CO2/CH4 mixture in metal-exposed, catenated, and charged metal-organic frameworks

The adsorption and separation of CO2/CH4 mixture are studied using molecular simulations in a series of metal-organic frameworks (MOFs) with unique characteristics such as exposed metals (Cu-BTC, PCN-6' and PCN-6), catenation (IRMOF-13 and PCN-6), and extraframework ions (soc-MOF). Because of t...

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Publié dans:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 25(2009), 9 vom: 05. Mai, Seite 5239-47
Auteur principal: Babarao, Ravichandar (Auteur)
Autres auteurs: Jiang, Jianwen, Sandler, Stanley I
Format: Article en ligne
Langue:English
Publié: 2009
Accès à la collection:Langmuir : the ACS journal of surfaces and colloids
Sujets:Journal Article