Application of a group contribution equation of state for the thermodynamic modeling of binary systems (gas + ionic liquids) with bis[(trifluoromethyl)sulfonyl]imide anion

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

“…The binary interaction parameters between gas and ionic liquid groups were obtained by correlation of bubble-point data of mixtures of ionic liquids and those gases. The AAD values obtained were between 3 and 25% for the first work [102] and between 0.4 and 19% for the second work [103].…”

“…Martín et al also applied a group contribution EoS (the same as the one used in references [99] and [100]) to calculate the phase behaviour of gases CO 2 , O 2 and SO 2 in ionic liquids with the NTf 2 anion and cations of the families 2,3-dimethylimidazolium, 1-alkyl-1-methylpyrrolidinium and 1-alkyl-3-methylpyridinium [102], and to describe the phase behaviour of gases H 2 , CO, C 2 H 4 , O 2 , SO 2 , CH 3 OH, N 2 O and Xe in ionic liquids of the family [C n mim][NTf 2 ] [103]. They used the same methodology mentioned before [99] to decompose the ionic liquids.…”

GC-EoS extension to alkylphosphate imidazolium ionic liquids

“…[17] In this contribution the interactions are assumed to take place through the group surfaces. See equation (6). (6) where:…”

“…Using this equation, it is only necessary to correlate the data of a few ionic liquids, and it is possible to predict the behavior of the other members of a given family. It has proved to be an appropriate method to describe the phase equilibrium of several ionic liquids in mixtures with different solvents, [4][5][6][7][8][9][10][11][12] not only for data interpolation, but also as a reliable tool for predicting phase equilibria beyond the measured conditions. [13,14] In this work, the GC-EoS is extended to new groups in order to describe the phase behavior of the 1-alkyl-3-methylimidazolium dimethylphosphate [-MeIm] + [Me2PO4] -and 1-alkyl-3methylimidazolium diethylphosphate [-MeIm] + [Et2PO4] -families.…”

Modification of Peng Robinson EOS for modelling (vapour+liquid) equilibria with electrolyte solutions

“…In order to include the strong forces between ions and polar molecules and to reduce the deviation between the experimental data and calculation results, several researches have proposed various equations of state. There are various kinds of pathway to describe the electrolytes with equation of state such as a well-known theory called SAFT, statistical association fluid theory [12,13], the extension of cubic equation of state by summing separate contributions to the Helmholtz energy [3,[14][15][16][17][18][19] and the group contribution equation of state (GC-EOS) [20].…”