In this work, the ion-specific electrolyte
perturbed-chain statistical
associating fluid theory (ePC-SAFT) was extended to predict the second-order
thermodynamic derivative properties and gas solubility of the ionic
liquids (ILs) containing one of the IL cations ([C
n
mim]+, [C
n
py]+, [C
n
mpy]+, [C
n
mpyr]+, and [THTDP]+) and one
of the IL anions ([Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl–, [Ac]−, and Br–). The ideal-gas isobaric heat capacities of ILs were estimated by
the group contribution method for obtaining the heat capacity. The
model prediction results were compared with the available experimental
data, and the comparison shows that the ePC-SAFT prediction is reliable
for most ILs. Furthermore, one adjustable ion-specific binary interaction
parameter between the IL ion and CO2 can be used to further
improve the model prediction performance for the CO2 solubility
in ILs.
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