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Table 2. Equations for Temperature-Dependent Properties of ChCl/Urea (1:2) Property Equations Liquidmolar V C CT CT2 No Unit (1) Vl /m3·kmol-1, Parameters C1 C2 C3 volume l 1 2 3 T/K 0.06358 -443.7 117.3 0.09244 2.427 10-5 2.667 104 0.2085 0.6043 1.624 10-8 62.14 1.679 10-12 0 Viscosity Heatcapacity Surfacetension ln C1 C2 /T C3lnT Cp C1 C2T C3T2 C1(1 T/TC)C2 C3T/TC (2) η /Pa·s, T/K (3) Cp /J·mol-1·K-1, T/K (4) σ /N·m-1, T/K For the surface tension of ChCl/Urea (1:2), Arnold et al.39 reported that the surface tension of pure ChCl/Urea (1:2) was 66 ± 1 Nm∙m-1, while D’Agostino et al.40 and Abbott et al.41 reported that the surface tensions were 52 Nm∙m-1 (298.15 K) and 52 Nm∙m-1 (313.15 K), respectively. Ji et al.25 also reported that the surface tension of ChCl/Urea (1:2) with 0.52 wt. % of water was 74.43 Nm∙m-1, which was much higher than those reported by others. Considering the discrepancies of the experimental data25, 39-41 on the surface tension and the absence of the surface tension at different temperatures for pure ChCl/Urea (1:2), theoretical estimation was used. According to the work by Shahbaz et al.42, the modified Macleod equation eq 542 can be used to estimate the surface tension of DESs reliably. Therefore, in this work, this method was used. In estimation, the parameter PParachor was calculated based on the molecular structure of the constituting components with a value of 204.40 for ChCl/Urea (1:2). The estimated surface tensions at different temperatures for ChCl/Urea (1:2) are listed in Table 3. The estimated surface tension was around 64 Nm∙m-1 at 298.15 K, and it was within the range of experimental measurements reported by Arnold et al.39 and D’Agostino et al.40. M 1/4 P (5) where PParachor is a parameter linked the surface tension with the density The estimated surface tension was further used to fit the parameters of the DIPPR equation (eq 4 in Table 2) for conducting process simulation and the fitting results agreed well with the estimated data points with an ARD of 0.033 %. Table 3. Surface tension predicted theoretically in this work T (K) 298.15 303.15 308.15 313.15 318.15 61.48 323.15 60.92 328.15 60.36 333.15 59.81 parachor Surface tension (Nm∙m-1) 63.76 63.19 62.61 62.04 5PDF Image | CO2 Separation with Ionic Liquids
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