caa a22 4500 606170472 CHVBK 20210128100717.0 cr unu---uuuuu 210128e20150601xx s 000 0 eng 10.1007/s10098-015-0938-5 doi (NATIONALLICENCE)springer-10.1007/s10098-015-0938-5 Ionic liquid design for enhanced carbon dioxide capture by computer-aided molecular design approach [Elektronische Daten] [Fah Chong, Dominic Foo, Fadwa Eljack, Mert Atilhan, Nishanth Chemmangattuvalappil] Carbon capture and storage is an emerging technology to mitigate carbon dioxide (CO2) emissions from industrial sources such as power plants. Post-combustion capture based on aqueous amine scrubbing is one of the most promising technologies for CO2 capture currently. This technology, however, possesses a number of shortcomings, including high regeneration energy requirement, high solvent loss, degradation of solvent, etc. To overcome these limitations, researchers suggested different solvents and alternative technologies to replace the current amine scrubbing technique. Ionic liquids (ILs) are the most potential substitute among all. This is mainly because they have negligible vapour pressure and high thermal stability, which reduce solvent loss. However, there are up to a million possible combinations of cation and anion that may make up the ILs, which makes experimental works very time consuming and costly. In this work, optimal IL solvents specifically for carbon capture purpose are designed using computer-aided molecular design approach. This approach utilises group contribution method to estimate the thermophysical properties of ILs, and UNIFAC model to predict CO2 solubility in the ILs. Structural constraints are included to ensure that the synthesised ILs structure will satisfy the bonding requirement. This work focuses on design of ILs based on a physical absorption mechanism, and hence no chemical reaction is involved. The results show that the designed ILs are capable of capturing CO2 and their predicted properties are in good agreement with properties as determined through experimental works. Springer-Verlag Berlin Heidelberg, 2015 Carbon capture and storage nationallicence Ionic liquids nationallicence Group contribution method nationallicence UNIFAC model nationallicence Chong Fah Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut Foo Dominic Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut Eljack Fadwa Department of Chemical Engineering, College of Engineering, Qatar University, PO Box 2713, Doha, Qatar aut Atilhan Mert Department of Chemical Engineering, College of Engineering, Qatar University, PO Box 2713, Doha, Qatar aut Chemmangattuvalappil Nishanth Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut Clean Technologies and Environmental Policy Springer Berlin Heidelberg 17/5(2015-06-01), 1301-1312 1618-954X 17:5<1301 2015 17 10098 https://doi.org/10.1007/s10098-015-0938-5 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s10098-015-0938-5 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Chong Fah Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut NATIONALLICENCE 700 1- Foo Dominic Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut NATIONALLICENCE 700 1- Eljack Fadwa Department of Chemical Engineering, College of Engineering, Qatar University, PO Box 2713, Doha, Qatar aut NATIONALLICENCE 700 1- Atilhan Mert Department of Chemical Engineering, College of Engineering, Qatar University, PO Box 2713, Doha, Qatar aut NATIONALLICENCE 700 1- Chemmangattuvalappil Nishanth Department of Chemical and Environmental Engineering/Centre of Excellence for Green Technologies, University of Nottingham Malaysia Campus, Broga Road, 43500, Semenyih, Selangor, Malaysia aut NATIONALLICENCE 773 0- Clean Technologies and Environmental Policy Springer Berlin Heidelberg 17/5(2015-06-01), 1301-1312 1618-954X 17:5<1301 2015 17 10098