Fluorinated metal organic frameworks, MFFIVE-Ni-L (M = Fe/Al, L = pyr), with coordinatively unsaturated metal site for CO<sub>2</sub> separation from flue gas in the presence of humidity by computational methods
Athulya S. Palakkal, Renjith S. Pillai
Abstract
CO<sub>2</sub> capture from flue gas compositon (i.e. CO<sub>2</sub>/N<sub>2</sub> = 15/85) under humid condition in coordinatively unsaturated (CUS) square pillared fluorinated metal organic framework (MOF) is computationally investigated with newly derived specific forcerfield.
Topics & Concepts
MetalFlue gasInorganic chemistryMetal-organic frameworkChemistryHumidityMaterials sciencePhysical chemistryOrganic chemistryAdsorptionThermodynamicsPhysicsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesInorganic Fluorides and Related Compounds