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. 2022 Jul 26;7(31):27479–27489. doi: 10.1021/acsomega.2c02514

Table 4. Margules Factors/Parameters Determined by Regression Using LLE Data at Temperature 303.2 K.

components/species (ij) Aij (K) Aij (K) Fa rmsdb
naphthenic acid + [DBU-Hex] [SCN]+ dodecane
1–2 2.786 1.584 1.12 × 10–8 1.60 × 10–03
1–3 –3.900 –10.000    
2–3 9.837 –10.0000    
dodecane + naphthenic acid + [DBU-Oct] [SCN]
1–2 10.000 –4.174 3.67 × 10–16 6.08 × 10–09
1–3 –2.734 0.484    
2–3 10.000 –10.000    
dodecane + naphthenic acid + [DBU-Dec] [SCN]
1–2 2.631 7.827 8.91 × 10–7 2.00 × 10–03
1–3 –7.109 –7.582    
2–3 7.678 –9.994    
a

F = calculated via eq 7.

b

rmsd = calculated via eq 8.