Experimental Thermodynamic Properties of 1-Butyl-2-methylpyridinium Tetrafluoroborate [b2mpy][BF₄] with Water and with Alkan-1-ol and Their Interpretation with the COSMO-RS Methodology

Extractive distillation with the mixture of ionic liquid and solid inorganic salt as entrainers

“…88 As shown in Figure 5, it is evident that the main part of the excess enthalpy in the investigated systems is the hydrogen bond interaction H E (H-bond), which is consistent with the r-profile analysis as aforementioned. The electrostatic interaction H E (misfit) is the second contribution to the mixing enthalpy, whereas the van der Waals interaction H E (vdW) has negligible contribution to the mixing enthalpy.…”

Thermodynamic study of binary mixtures containing 1-butylpyridinium tetrafluoroborate and methanol, or ethanol

“…Moreover, the formation of interactions between the hydroxyl group in the alcohol and the tetrafluoroborate anion as well as the new dipole-dipole interactions between both components, are also important. Some studies revealed that interactions between the alcohol and the pyridinium cation are less important than those with the anions [11,36]. Consequently, the resultant behaviour reflected in the excess properties is attributed to the multiple factors that take place in the mixture.…”

“…Since this property is mainly related to energetic effects, it seems to be associated with the disruption of hydrogen bonds between the alcohol molecules and the weakness of electrostatic and van der Waals interactions in the IL. Experimental studies for similar systems have found exothermic mixtures in those cases in which the anion of the IL is sufficiently basic for promoting anion-alcohol hydrogen bonds [11]. Since the tetrafluoroborate anion is a weak Lewis base, without markedly donor solvent properties, the G E results for the ([bpy][BF 4 ] + alcohol) mixtures are justified.…”

“…However, the lack of knowledge about the properties that characterize the ILs in particular conditions is, at present, a barrier that difficult their implementation in more areas. In this way, the number of studies is increasing that analyze these questions in terms of the ionic structures and intermolecular interactions, not only for the pure ILs, but also, for their mixtures, with the aim of correlating the structural and energetic aspects which influence their behaviour [6][7][8][9][10][11][12][13][14][15].…”

Screening of RTILs for propane/propylene separation using COSMO-RS methodology

“…In previous works Palomar et al found out that gas-liquid [25,29,30], liquid-liquid [33] and solid-liquid [34] equilibrium data for favorable separation processes based on IL solvents were associated to a higher exothermicity of the mixing process. This methodology was applied in this case to analyze the solubility of different silver salts in a certain ionic liquid containing the same anion.…”