In this work, the friction theory (FT) and free volume theory (FVT) were combined with ePC-SAFT in order to model the viscosity of pure ionic liquids (ILs) and IL/CO 2 mixtures in a wide temperature and pressure (up to 3000 bar) range and with viscosities up to 4000 mPa·s.The ePC-SAFT pure-component parameters for the considered imidazolium-based ILs were adopted from our previous work. These parameters were used to calculate the density and residual pressure of the pure ILs. The density and pressure were then used as inputs for pure-IL viscosity modeling using FVT or FT, respectively. The viscosity-model parameters of FT and FVT were obtained by fitting to experimental viscosity data of imidazolium-based ILs and linearized with the molecular weight of the IL-cation. As a result, the FT viscosity model can more accurately describe the experimental viscosity data of pure ILs than the FVT model, at the cost of increased number of parameters used in the FT viscosity model. Finally, FT and FVT were applied to model the viscosities of IL/CO 2 mixtures in good agreement to experimental data by adjusting one binary viscosity-model parameter between IL-anion and CO 2 . The application of FT required fitting the viscosity model parameters of pure to experimental viscosity data of pure ILs and of IL/CO 2 mixtures. In contrast, the FVT viscosity model parameters were adjusted to experimental viscosity data of pure ILs only.
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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