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. 2024 Nov 11;63(46):20397–20423. doi: 10.1021/acs.iecr.4c02995

Table 6. Overview of the Accuracy of SAFT-γ Mie in the Calculation of Solubility for Amino Acids in Water or Alcohola.

system T/K ND AAD (xsat1) figure ref
glycine (1) + water (2) 273–373 36 1.0101 × 10–2 12, 13 (22,80,81,166)
glycine (1) + ethanol (2) 278–333 26 5.3488 × 10–4 13 (18,22,156161)
glycine (1) + 1-propanol (2) 298 2 3.9995 × 10–5 13 (22,156,160)
glycine (1) + 2-propanol (2) 298–310 4 8.4938 × 10–4 13 (22,156,160,165)
glycine (1) + 1-butanol (2) 298 3 3.5925 × 10–5 13 (23,156,164)
alanine (1) + water (2) 273–373 29 8.0163 × 10–3 12, 13 (80,155)
alanine (1) + ethanol (2) 283–333 16 1.9809 × 10–4 13 (18,22,155,157,159,160)
alanine (1) + 1-propanol (2) 283–333 12 1.1201 × 10–4 13 (21,22,155,160)
alanine (1) + 2-propanol (2) 283–333 12 2.1200 × 10–3 13 (21,22,155,160)
alanine (1) + 1-butanol (2) 283–323 6 4.0025 × 10–4 13 (23,155)
alanine (1) + 2-butanol (2) 283–323 5 1.0442 × 10–3 13 (155)
alanine (1) + 2-methyl-1-propanol (2) 283–323 5 2.5037 × 10–4 13 (155)
serine (1) + water (2) 273–373 17 1.9293 × 10–2 12, 13 (80)
serine (1) + ethanol (2) 278–333 15 2.1964 × 10–5 13 (159,162)
serine (1) + 2-propanol (2) 278–333 12 9.3992 × 10–5 13 (162)
serine (1) + 1-butanol (2) 278–333 13 4.6741 × 10–6 13 (23,162)
valine (1) + water (2) 273–343 23 1.2640 × 10–2 12, 13 (80)
valine (1) + ethanol (2) 288–343 9 4.8847 × 10–5 12, 13 (159)
valine (1) + 2-propanol (2) 293–343 6 5.6699 × 10–4 12, 13 (163)
a

ND is the number of experimental data points used to calculate the average absolute deviation (AAD) in mole fraction.