Post combustion CO2 capture with substituted ethanolamines and piperazines : Ab initio and DFT studies

The emission of greenhouse gases in the atmosphere, particularly carbon dioxide, caused by fossil fuel combustion, has been claimed to be responsible for global warming. Capturing of carbon dioxide from exhaust gases by using aqueous amine solutions is an important process for the reduction of the emission of these gases from power plants. Monoethanolamine (MEA) is used as an industrial solvent for carbon dioxide capture from exhaust gases. However, the use of MEA for CO 2 capture from power plants is expensive. Therefore, finding the cheaper solvent for CO 2 capture is needed to reduce the CO 2 emissions into the atmosphere and thereby saving the biodiversity in the world.