Solubility of Sugars and Sugar Alcohols in Ionic Liquids: Measurement and PC-SAFT Modeling

• Type: Article in International Scientific Journal
• Date: 2013

Authors

Aristídes P. Carneiro (Author) FEUP; Christoph Held (Author) Other; Oscar Rodríguez (Author) FEUP; Gabriele Sadowski (Author) Other; Eugénia A. Macedo (Author) FEUP

Journal

Title: Journal of Physical Chemistry B

Vol. 117 No. 34

Pages: 9980-9995

ISSN: 1520-6106

Publisher: American Chemical Society

Indexing

ISI Web of Knowledge - 38 Citations

ISI Web of Science

Scopus - 52 Citations

Scientific classification

FOS: Engineering and technology

CORDIS: Technological sciences

Associated Projects

LA 20 - PROJECTO ESTRATÉGICO - LA 20 - 2013-2014

Other information

Authenticus ID: P-006-83S

DOI: 10.1021/jp404864c

Abstract (EN): Biorefining processes using ionic liquids (ILs) require proper solubility data of biomass-based compounds in ILs, as well as an appropriate thermodynamic approach for the modeling of such data. Carbohydrates and their derivatives such as sugar alcohols represent a class of compounds that could play an important role in biorefining. Thus, in this work, the pure IL density and solubility of xylitol and sorbitol in five different ILs were measured between 288 and 339 K The ILs under consideration were 1-ethyl-3-methylimidazolium dicyanamide, 1-butyl-3-methylimidazolium dic-yanamide ([bmim][DCA]), Aliquat dicyanamide, trihexyltetradecylphosphonium dicyanamide, and 1-ethyl-3-methylimidazolium trifluoroacetate. Comparison with the literature data was performed, showing good agreement. With the exception of [bmim][DCA], the solubility of these sugar alcohols in the other ILs is presented for the first time. The measured data as well as previously published solubility data of glucose and fructose in these ILs were modeled by means of PC-SAFT using a molecular-based associative approach for ILs. PC-SAFT was used in this work as it has shown to be applicable to model the solubility of xylitol and sorbitol in ILs (Paduszynski; et al. J. Phys. Chem. B 2013, 117, 7034-7046). For this purpose, three pure IL parameters were fitted to pure IL densities, activity coefficients of 1-propanol at infinite dilution in ILs, and/or xylitol solubility in ILs. This approach allows accurate modeling of the pure IL data and the mixture data with only one binary interaction parameter k(ij) between sugar and the IL or sugar alcohol and the IL. In cases where only the pure IL density and activity coefficients of 1-propanol at infinite dilution in ILs were used for the IL parameter estimation, the solubility of the sugars and sugar alcohols in the ILs could be predicted (k(ij) = 0 between sugar and the IL or sugar alcohol and the IL) with reasonable accuracy.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 16