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Thermodynamic Properties and Activity Coefficients at Infinite Dilution for Various Solutes in Deep Eutectic Solvent: Tetraethylammonium Chloride + Glycerol

2023/09/13 by Xueqin Yang, Nuerbiya Yalikun, Xudong Nie
Chemical Engineering · Chemistry · #Ionic liquids properties and applications #Adsorption, diffusion, and thermodynamic properties of materials #Chemical Thermodynamics and Molecular Structure

paper · doi:10.1021/acs.jced.3c00340

Abstract

Activity coefficient at infinite dilution (γ 12 ∞ ) for 30 different organic probes in deep eutectic solvents [(DES, tetraethylammonium chloride + glycerol) with a molar ratio of 1.000:2.001 was determined by inverse gas chromatography method at T = 313.15–343.15 K. Then, the excess thermodynamic properties at infinite dilution (Δ H 1 E,∞, Δ S 1 E,∞ and Δ G 1 E,∞ ) were calculated to further analyze the intermolecular interactions. The extraction capacity of the studied DES for three industrial separation systems including n -heptane/toluene, n -heptane/thiophene, and acetone/ethanol was determined based on the values of separation parameters S ij ∞ and k j ∞ . The Hildebrand solubility parameters of the investigated DES were also obtained by regular solution theory combined with Flory “combinatorial” equation. The results showed that the solubility parameter did not change significantly in the studied temperature range.

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