Fluorinated metal organic frameworks, MFFIVE-Ni-L (M = Fe/Al, L = pyr), with coordinatively unsaturated metal site for CO2 separation from flue gas in the presence of humidity by computational methods
Keyword(s):
Flue Gas
◽
CO2 capture from flue gas compositon (i.e. CO2/N2 = 15/85) under humid condition in coordinatively unsaturated (CUS) square pillared fluorinated metal organic framework (MOF) is computationally investigated with newly derived specific forcerfield.