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

Table 3. NRTL Factors Determined by Regression Using LLE Data at Temperature 303.2 K.

components (ij) αij (K) αij (K) Fa rmsdb
naphthenic acid + [DBU-Hex] [SCN]+ dodecane
1–2 12.990 14.826 1.87 × 10–17 6.08 × 10–09
1–3 –9.909 14.336    
2–3 –1.176 11.162    
dodecane + naphthenic acid + [DBU-Oct] [SCN]
1–2 –10.977 11.835 9.94 × 10–18 6.18 × 10–09
1–3 –9.944 11.335    
2–3 –10.132 10.132    
dodecane + naphthenic acid + [DBU-Dec] [SCN]
1–2 6.655 5.769 4.77 × 10–7 1.34 × 10–04
1–3 –12.867 6.185    
2–3 –14.764 3.156    
a

F = calculated via eq 7.

b

rmsd = calculated via eq 8.