Industrial & Engineering Chemistry Research, Vol.42, No.24, 6212-6222, 2003
Phase equilibria in sugar solutions using the A-UNIFAC model
In this work, a modified UNIFAC model that explicitly takes into account association effects is used to describe the thermodynamic properties of phase equilibria of mixtures containing common sugars, alcohols, and water. Three main groups were defined to represent the sugars family: the sugar ring (pyranose and furanose), the osidic bond (-O-), and the hydroxyl ring group (OHring). For the association term, a general two-site OH associating group is used to represent association effects in these solutions, allowing a straightforward extension to multicomponent mixtures. Correlation of both solvent properties (osmotic coefficients, water activities, vapor pressures, and boiling and freezing points of binary aqueous sugar solutions) and sugar solubility in water and alcohols gives very accurate results. Good predictions are obtained for vapor-liquid equilibrium and solid-liquid equilibrium of ternary and quaternary mixtures of sugars in mixed solvents.