MOLECULAR MODELING OF METAL-ORGANIC FRAMEWORKS FOR CO2 CAPTURE

摘要

Carbon capture and sequestration is a potential method for reducing greenhouse gas emissions from the generation of electricity using fossil fuels. Key to carbon capture is the separation of CO2 from N2. Another energy-related separation involving CO2 is removal of CO2 from natural gas. Natural gas is mainly methane, with impurities such as CO2, nitrogen, and heavier hydrocarbons, depending on the source of the gas. Metal-organic frameworks (MOFs) are promising materials for these and other separations due to their tailorable internal surfaces and the large number of possible MOF materials.