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. 2016 May 7;21(5):593. doi: 10.3390/molecules21050593

Table 4.

PC-SAFT binary interaction parameters a for binary sub-systems considered in this work and average relative deviations (ARDs) of calculated and experimental solubilities. All other binary parameters were set to zero.

Binary Parameter Temperature Range of the Experimental Data (K) Ref for Parameters Ref for Exp Data ARD (%)
kij,slope (−) kij,int (−)
API/solvent
NA/water 9.46 × 10−5 −2.94 × 10−2 298–328 [26] [59] 0.59
NA/acetonitrile 2.92 × 10−4 −8.46 × 10−2 288.47–309.4 [26] this work 9.34
NA/ethanol 8.39 × 10−5 −2.10 × 10−2 293.51–318.05 [26] this work 1.57
NA/ethyl acetate 7.68 × 10−4 −2.66 × 10−1 288.15–318.15 this work this work 17.5
CF/solvent
SA/water −7.30 × 10−5 −5.56 × 10−3 293.15–318.15 [26] [26] 1.18
SA/acetonitrile 4.70 × 10−5 −2.38 × 10−1 293.15–318.15 [26] [26] 2.65
SA/ethanol 2.63 × 10−4 −3.00 × 10−1 293.15–318.15 [26] [26] 2.37
SA/ethyl acetate 1.53 × 10−4 −2.74 × 10−1 293.15–318.15 this work this work 0.60
solvent/anti-solvent
ethanol/water 0 −0.0382 343 [48] [60]
ethanol/acetonitrile 0 −0.005 293.15 [61] [62]
ethanol/ethyl acetate 0 −0.018 344.58–350.55 [61] [62]

a Binary parameters should be used together with pure-component parameters from Table 2.