Solid Liquid Equilibrium of Cellobiose, Sucrose, and Maltose Monohydrate in Ionic Liquids: Experimental and Quantum Chemical Insights

Mood Mohan, Tamal Banerjee, Vaibhav V. Goud

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Abstract

As a substitute of fossil fuels, lignocellulosic biomass is a potential feedstock for the production of energy and value-added chemicals. The present work reports the solubility (solid-liquid equilibria, SLE) of disaccharides, namely, d-(+)-cellobiose, sucrose, and maltose monohydrate in two ionic liquids (ILs) by a combined approach using experiments and predictions with the continuum solvation model. The screened ILs, namely, 1-ethyl-3-methylimidazolium thiocyanate ([EMIM][SCN]) and tris(2-hydroxyethyl)methylammonium methylsulfate [TMA][MeSO4], were then used as solvents to measure the SLE at a temperature range of 302.15-353.15 K. The IL [EMIM][SCN] gave a higher solubility as compared to [TMA][MeSO4] irrespective of the disaccharide. The solubility trend within the disaccharide was similar in both the ILs, and it followed: maltose monohydrate > sucrose > d-(+)-cellobiose. The interactions were further confirmed from the quantum chemical calculations by investigating the interaction energy and HOMO-LUMO energy gap between ILs and disaccharides. The thermodynamic function of dissolution such as Δdissol.oH gave positive values for all of the systems, thereby indicating an endothermic process. Experimental solubility data were also successfully correlated with the local thermodynamic models such as nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) which gave a deviation of less than 5%.

Original languageEnglish
Pages (from-to)2923-2932
Number of pages10
JournalJournal of Chemical and Engineering Data
Volume61
Issue number9
DOIs
StatePublished - Sep 8 2016
Externally publishedYes

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