Abstract
The surface properties of 1-ethyl-3-methylimidazolium glycinate ionic liquid, as a model of amino acid-based compounds, in contact with a vacuum, CO2, SO2 and flue gas phases are studied using molecular dynamics simulations. The orientation of ions at the interface and the characteristics of the adsorbed gas layers are inferred from the theoretical study. Densely adsorbed layers are obtained for CO2 molecules at fast adsorption rates, with CO2 interacting preferentially with imidazolium cations at the interface. SO2 is adsorbed faster than CO2 at the ionic liquid interface, showing large affinity for glycinate anions. The contact of the studied ionic liquid with a model flue gas leads to the fast development of an adsorbed layer of water molecules, with CO2 molecules being adsorbed on top of this water layer. Therefore, the interface is initially blocked by the presence of water molecules, which would delay the adsorption and diffusion of CO2 molecules across the ionic liquid interface.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
