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Modeling thermodynamic properties of aqueous single‐solute and multi‐solute sugar solutions with PC‐SAFT
Author(s) -
Held Christoph,
Sadowski Gabriele,
Carneiro Aristides,
Rodríguez Oscar,
Macedo Eugénia A.
Publication year - 2013
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.14212
Subject(s) - chemistry , aqueous solution , sugar , solubility , xylose , xylitol , thermodynamics , maltose , sorbitol , disaccharide , sucrose , lactose , fructose , monosaccharide , solvent , mannitol , chromatography , organic chemistry , physics , fermentation
The Perturbed‐Chain Statistical Association Fluid Theory is applied to simultaneously describe various thermodynamic properties (solution density, osmotic coefficient, solubility) of aqueous solutions containing a monosaccharide or a disaccharide. The 13 sugars considered within this work are: glucose, fructose, fucose, xylose, maltose, mannitol, mannose, sorbitol, xylitol, galactose, lactose, trehalose, and sucrose. Four adjustable parameters (three pure‐sugar parameters and a k ij between sugar and water that was allowed to depend linearly on temperature) were obtained from solution densities and osmotic coefficients of binary sugar/water solutions at 298.15 K available in literature. Using these parameters, the sugar solubility in water and in ethanol could be predicted satisfactorily. Further, osmotic coefficients and solubility in aqueous solutions containing two solutes (sugar/sugar, sugar/salt) were predicted (no additional k ij parameters between the two solutes) reasonably. The model was also applied to predict the solubility of a sugar in a solvent mixture (e.g., water/ethanol) without additional fitting parameters. © 2013 American Institute of Chemical Engineers AIChE J , 59: 4794–4805, 2013