Liquid–liquid phase equilibrium of (piperidinium-based ionic liquid + an alcohol) binary systems and modelling with NRHB and PCP-SAFT

Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

“…In 2011 Paduszyński et al [125] also reported the use of a SAFTtype EoS for modelling systems with ionic liquids. In this case, the group used the Perturbed-Chain Polar Statistical Associating Fluid Theory (PCP-SAFT) and the ionic liquid modelled was 1-methyl-1-propylpiperidinium bis(trifluoromethylsulfonyl)imide [C 3 mpip][NTf 2 ].…”

Group contribution lattice fluid equation of state for CO2–ionic liquid systems: An experimental and modeling study

“…However, the activity coefficient models, including regular solution theory (RST), 8 universal quasichemical functional-group activity coefficients (UNIFAC), 4,[9][10][11] and conductor-like screening model for real solvent (COSMO-RS) 12-15 models, are not functions of volume, and also not dependent on pressure. On the other hand, the equations of state, such as nonrandom lattice-fluid equation of state (NLF EOS), 16,17 the series of statistical associating fluid theory (SAFT) EOS [18][19][20][21][22][23][24][25][26][27][28] (e.g., perturbed-chain polar SAFT [PCP-SAFT], soft-SAFT, heterosegmented-SAFT, and SAFT-c), and groupcontribution equation of state (GC EOS), 29 would take into account the dependence of phase volume on pressure for calculating the phase equilibria, which is especially important for estimating volume expansivity. For CO 2 -IL systems, Karakatsani et al 30 used tPC-PSAFT EOS to predict the marginal vapor pressure of pure ILs and the solubility of CO 2 , CO, N 2 , and CHF 3 .…”

Measurements and equation-of-state modelling of thermodynamic properties of binary mixtures of 1-butyl-1-methylpyrrolidinium tetracyanoborate ionic liquid with molecular compounds

“…The binary interaction parameters k X 12 (X = LB or WS) appearing in equation (4) are usually obtained from the binary phase equilibrium data by means of fitting [25]. In this work we follow the methodology developed by us previously [28], but also successfully adopted by other authors [41].…”

“…In the case of pure ILs and their mixtures with diverse organic compounds or water, many EoS approaches have been considered as potential tools for capturing their phase diagrams and excess properties [23]. Lattice theory-based models like non-random hydrogen-bond (NRHB) [24][25][26], ''cubic + association'' (CPA) model [27] and statistical associating fluid theory (SAFT) are the most widely studied ones. In particular, perturbed-chain SAFT (PC-SAFT) [25,26,[28][29][30][31][32][33][34][35][36][37][38][39][40][41][42], tPC-PSAFT [43][44][45] and soft-SAFT [46][47][48][49][50][51][52][53] have attracted most of the attention of community concerned with EoS modelling of ILs-based systems.…”

“…We used this EoS to reproduce phase equilibria (including VLE, LLE and SLE) as well as to predict c 1 and H E for a great diversity of binary systems [25,26,[28][29][30][31][32]34]. Recently, we published two papers [31,32] on PC-SAFT calculations of sugars solubility in ILs.…”