174899-94-6Relevant articles and documents
Polarity study of ionic liquids with the solvatochromic dye Nile Red: A QSPR approach using in silico VolSurf+ descriptors
Paterno', Alessio,D'Anna, Francesca,Fortuna, Cosimo G.,Musumarra, Giuseppe
, p. 3282 - 3287 (2016)
The in silico VolSurf+ descriptors, accounting for both cationic and anionic structural features of ionic liquids (ILs) were used to develop a Partial Least Squares (PLS) model able to establish a Quantitative Structure Property Relationship (QSPR) correlation with their solvatochromic dye Nile Red polarity. The PLS model allowed prediction of ENR values for 116 ILs providing an in silico ILs polarity database.
Factors affecting bubble size in ionic liquids
Taylor, Sarah F. R.,Brittle, Stuart A.,Desai, Pratik,Jacquemin, Johan,Hardacre, Christopher,Zimmerman, William A.
, p. 14306 - 14318 (2017/07/22)
This study reports on understanding the formation of bubbles in ionic liquids (ILs), with a view to utilising ILs more efficiently in gas capture processes. In particular, the impact of the IL structure on the bubble sizes obtained has been determined in order to obtain design principles for the ionic liquids utilised. 11 ILs were used in this study with a range of physico-chemical properties in order to determine parametrically the impact on bubble size due to the liquid properties and chemical moieties present. The results suggest the bubble size observed is dictated by the strength of interaction between the cation and anion of the IL and, therefore, the mass transport within the system. This bubble size-ILs structure-physical property relationship has been illustrated using a series of QSPR correlations. A predictive model based only on the sigma profiles of the anions and cations has been developed which shows the best correlation without the need to incorporate the physico-chemical properties of the liquids. Depending on the IL, selected mean bubble sizes observed were between 56.1 and 766.9 μm demonstrating that microbubbles can be produced in the IL allowing the potential for enhanced mass transport and absorption kinetics in these systems.
Physicochemical properties of [Cnmim][TFA] (n = 2, 3, 4, 5, 6) ionic liquids
Fang, Da-Wei,Zhang, Fang,Jia, Rui,Shan, Wei-jun,Xia, Li-xin,Yang, Jia-zhen
, p. 11616 - 11625 (2017/02/26)
A series of ionic liquids based on trifluoroacetic acid, namely, [Cnmim][TFA] (n = 2, 3, 4, 5, 6) (1-alkyl-3-methylimidazolium trifluoroacetate), were designed and synthesized. The density, surface tension and refractive index were measured in the temperature range of 293.15 to 343.15 ± 0.05 K, and some physicochemical properties of the ILs were calculated. Using the concept of molar surface Gibbs free energy, the traditional E?tv?s equation was improved into a modified E?tv?s equation, in which the intercept and the slope represented the molar surface enthalpy and the molar surface entropy, respectively, for [Cnmim][TFA] (n = 2, 3, 4, 5, 6). The thermal expansion coefficient (α) of [Cnmim][TFA] was calculated according to the interstitial model, and the order of magnitude of the calculated values was in good agreement with the corresponding experimental values. A new hypothesis was proposed, stating that the interstitial molar surface Gibbs free energy (gs) is not determined by the type of IL. From the refractive index and the molar surface Gibbs free energy, an equation to predict the surface tension of ILs was derived and the predicted values were highly correlated with the corresponding experimental values. Finally, a new polarity scale for ILs was developed, and the polarity order of the [Cnmim][TFA] (n = 2, 3, 4, 5, 6) ILs was estimated.