QSPR study on the viscosity of bis(trifluoromethylsulfonyl)imide-based ionic liquids

A group contribution method to estimate the viscosity of ionic liquids at different temperatures

“…Also in Table 1, shows another comparison between the proposed GCM, and some QSPR models available in the literature for the estimation of the viscosity of ILs [20][21][22][23][24][25][26][27]. As observed in this table, all QSPR models are applied only to specific ionic liquids and they present a correlation with an R 2 of 0.8 to 0.94.…”

“…However, to the best of the author's knowledge, there is no application for the estimation of the liquid viscosity that includes a heterogeneous set of ILs, such as the one presented here using a simple GCM. Table 1 lists selected applications to estimate viscosity [9,10,[18][19][20][21][22][23][24][25][26][27]. In this work, viscosity of several ILs at different temperatures have been correlated and estimated using an accurate GCM with structural 6groups for the cation-anion parts.…”

Viscosity of ionic liquids: Database, observation, and quantitative structure‐property relationship analysis

“…For a fixed cation or anion at a constant temperature, [C 4 mim] + ‐, [C 2 mim] + ‐, [P 444 ,C 3 NH 2 ] + ‐, [NTf 2 ] − ‐, [BF 4 ] − ‐, and [DCA] − ‐based ILs have the most entries of viscosity data, making these ILs favorable for QSPR study. Among them, [C 4 mim] + ‐, [C 2 mim] + ‐, [NTf 2 ] − ‐, and [BF 4 ] − ‐based ILs have been studied previously 22, 32, 33. So, only [P 444 ,C 3 NH 2 ] + ‐ and [DCA] − ‐based ILs are selected to undergo the QSPR study, where [P 444 ,C 3 NH 2 ] + is tributyl‐(3‐amino‐propyl) phosphonium and [DCA] − is dicyanamide.…”

“…A few QSPR studies on ILs viscosity were reported where limited ILs were involved 21, 22, 31. In our previous work, ILs were expanded to include [C 4 mim] + ‐, [C 2 mim] + ‐, [BF 4 ] − ‐, and [NTf 2 ] − ‐based ILs 32, 33. Besides QSPR, some other more qualitative analyses through direct observation showed that ILs viscosity is related to the cation–anion pairing and their structural characteristics such as cationic size, length of substituted group, flexible ether oxygen on alkyl chain, anionic size, and anionic shape 34–48.…”

Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids

“…Thea uthors concludedt hat the models were highly temperature dependent and stressed that the experimental properties of ILs depend heavily on the degree of purity,w hich cannota lways be easily controlled. [24] Am ore recent study at eight different temperatures on ILs that contained bis(trifluoromethylsulfonyl)imide [25] concluded that interionic electrostatic interactions are the most important factor that affects viscosity, and this effectc hanges with temperature. The same research group, [26] addressing an extensive database, developed QSPR modelsa nd concluded that alongside temperature,p ressure, and impurity,t he ionic structuralc haracteristics of the IL cation or anion also have significant effects on the viscosity.AQSPR study addressing the viscosity of imidazolium-basedI Ls [27] noted the predominant effectso fc ation-anione lectrostatic interactions whereas other interactions (e.g.…”