Liquid–Liquid Equilibrium Study of the Ternary System 2-Methyl-2-butanol + Water + n-Heptanol at 303.15 K, 313.15 K and 323.15 K

Liquid–Liquid Equilibrium for the Binary Mixtures of Butyl l-Lactate + Water and Butyl Lactate + Water at 74.6 kPa

“…The nonrandom two-liquid (NRTL) model has gained significant prominence and widespread adoption in the field of liquid–liquid equilibrium analysis, specifically for fitting experimental data relating to binary , and multicomponent systems. ,− This model proves invaluable in cases where a diverse array of compounds is involved, ranging from those exhibiting nonideal interactions to those featuring substantial deviations from ideal behavior, encompassing both polar and nonpolar molecules . Remarkably, its applicability extends to lactate compounds, − including butyl lactate, , while also including partially miscible systems as well as completely miscible mixtures .…”

“…In a similar situation, the Universal Quasichemical (UNIQUAC) activity model has been chosen on comparable grounds to the NRTL model, as it finds applicability across a diverse range of nonelectrolyte mixtures encompassing both nonpolar and polar fluids, ,,,,− including partially miscible mixtures . The outcomes of molecular dynamic computations have demonstrated that UNIQUAC frequently exhibits a tendency to excessively rectify deviations associated with random mixing due to the significant magnitudes observed in the arguments of the Boltzmann factors.…”

“…In this study, the parameters of the model for the corresponding system were consequently determined using the Aspen Plus V11 simulator, based on experimental LLE data, as demonstrated in other works for different systems. ,,− The regression method employed in the simulator was the generalized least squares approach based on the principles of maximum likelihood, utilizing the Deming initialization method. The Britt–Luecke algorithm was applied to obtain the model parameters.…”