Table 2.

Details of the phase stability, phase equilibrium, and reactive phase equilibrium problems used in this study.

Code	System	Feed conditions	Thermodynamic models	Global optimum
T7	C1 + C2 + C3 + C4 + C5 + C6 + C7–16 + C17+	n F = (0.7212, 0.09205, 0.04455, 0.03123, 0.01273, 0.01361, 0.07215, 0.01248) at 353 K and 38500 kPa	Phase stability problem with SRK EoS with classical mixing rules	−0.002688
T8	C1 + C2 + C3 + iC4 + C4 + iC5 + C5 + C6 + iC15	n F = (0.614, 0.10259, 0.04985, 0.008989, 0.02116, 0.00722, 0.01187, 0.01435, 0.16998) at 314 K and 2010.288 kPa	Phase stability problem with SRK EoS with classical mixing rules	−1.486205
T9	C1 + C2 + C3 + C4 + C5 + C6 + C7 + C8 + C9 + C10	n F = (0.6436, 0.0752, 0.0474, 0.0412, 0.0297, 0.0138, 0.0303, 0.0371, 0.0415, 0.0402)  at 435.35 K and 19150 kPa	Phase stability problem with SRK EoS with classical mixing rules	−0.0000205
G4	C1 + H2S	n F = (0.9813, 0.0187)   at 190 K and 4053 kPa	Phase equilibrium problem with SRK EoS with classical mixing rules	−0.019892
G6	C2 + C3 + C4 + C5 + C6	n F = (0.401, 0.293, 0.199, 0.0707, 0.0363)   at 390 K and 5583 kPa	Phase equilibrium problem with SRK EoS with classical mixing rules	−1.183653
G7	C1 + C2 + C3 + C4 + C5 + C6 + C7–16 + C17+	n F = (0.7212, 0.09205, 0.04455, 0.03123, 0.01273, 0.01361, 0.07215, 0.01248) at 353 K and 38500 kPa	Phase equilibrium problem with SRK EoS with classical mixing rules	−0.838783
G8	C1 + C2 + C3 + iC4 + C4 + iC5 + C5 + C6 + iC15	n F = (0.614, 0.10259, 0.04985, 0.008989, 0.02116, 0.00722, 0.01187, 0.01435, 0.16998) at 314 K and 2010.288 kPa	Phase equilibrium problem with SRK EoS with classical mixing rules	−0.769772
R4	A1 + A2 ↔ A3 + A4  (1) Acetic acid (2) n-Butanol (3) Water (4) n-Butyl acetate	n F = (0.3, 0.4, 0.3, 0.0) at 298.15 K and 101.325 kPa	Reactive phase equilibrium problem with UNIQUAC model and ideal gas:  ln⁡K eq = $\frac{450}{T}$ + 0.8	−1.10630
R7	A1 + A2 ↔ A3	n F = (0.52, 0.48, 0.0) at 323.15 K and 101.325 kPa	Reactive phase equilibrium problem with Margules solution model:   K eq = 3.5	−0.653756