A Theoretical Study on the Adsorption of Carbon Dioxide on the [Emi][Lys] Ionic liquid

The exponential increment of the carbon dioxide (CO2) emission into the atmosphere duringthe last few decades has raised the environmental concerns to the mother earth [1]. There isan increasing consensus that excessive CO2 has been significantly contributing to globalwarming [2]. Ionic liquids (ILs) have been proposed as the attractive alternatives for CO2capture, because they have negligible volatility, no flammability, high thermal stability, andvirtually unlimited chemical tenability [3]. The mechanism of CO2 adsorption on the ILs isvery important [4]. These mechanisms have been studied by the experimental and theoreticalmethod [5]. In this research the mechanism of CO2 adsorption on the 1-ethyl-3-methylimidazolium lysine ([Emim][Lys]) has been studied with the DFT calculations.