title: Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.
abstract: We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents.
authors.affiliation: The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast, Stranmillis Road, Belfast BT9 5AG, United Kingdom. johan.jacquemin@qub.ac.uk
authors.forename: Johan
authors.initials: J
authors.lastname: Jacquemin
authors.forename: Magdalena
authors.initials: M
authors.lastname: Bendová
authors.forename: Zuzana
authors.initials: Z
authors.lastname: Sedláková
authors.forename: Marijana
authors.initials: M
authors.lastname: Blesic
authors.forename: John D
authors.initials: JD
authors.lastname: Holbrey
authors.forename: Claire L
authors.initials: CL
authors.lastname: Mullan
authors.forename: Tristan G A
authors.initials: TG
authors.lastname: Youngs
authors.forename: Laure
authors.initials: L
authors.lastname: Pison
authors.forename: Zdeněk
authors.initials: Z
authors.lastname: Wagner
authors.forename: Karel
authors.initials: K
authors.lastname: Aim
authors.forename: Margarida F
authors.initials: MF
authors.lastname: Costa Gomes
authors.forename: Christopher
authors.initials: C
authors.lastname: Hardacre