Thermodynamic modeling of mono and disaccharides in mixed solvent solutions by group contribution

FRANCISCO A. SÁNCHEZ; YANNIK H. ILLE; M. NICOLAUS J. DAHMEN; SELVA PEREDA

Villa Carlos Paz, Córdoba

Conferencia; XI Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design; 2018

IPQA - UNC - CONICET

Carbohydrates are one of the most abundant classes of organic compounds present in nature. They are present in spread industrial fields covering its common uses in food industry to complex industrial developments such as paper production, biofuels, and pharmaceutics. Most of the saccharides of interest involve pure glucose and/or fructose, and their oligomers, like sucrose, maltose or lactulose. Moreover, other furanoses and pyranoses of industrial interest are isomers with different spatial orientation of hydroxyl groups, like galactose and xylose. On the other hand, biomass thermal treatments like pyrolysis or solvolysis have become an attractive alternative to produce intermediate chemicals in biofuels production from lignocellulosic residues [1]. These processes generate dehydrated sugars like levoglucosan and cellobiosan, for which experimental data is scarce or nonexistent. In this context, the well-known group contribution approach allows predicting phase behavior of chemical compounds by modeling similar substances assembled by the same groups. In this regard, the GCA-EOS [2] is a reliable model with an extensive table of parameters, which has been recently extended to mixtures of cyclic paraffins and alcohols in mixtures with water [3], which are one of the main building blocks for sugar solutions. In this work, we propose an extension of the GCA-EOS to include cyclic acetals in order to model, in a predictive manner, the thermodynamic properties of sugar solutions in mixed solvents.