Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients

Published on Jun 1, 2018in The Journal of Chemical Thermodynamics3.178
· DOI :10.1016/J.JCT.2018.02.014
Urszula Domańska73
Estimated H-index: 73
(UKZN: University of KwaZulu-Natal),
Monika Karpińska20
Estimated H-index: 20
(Warsaw University of Technology),
Michał Wlazło21
Estimated H-index: 21
(Warsaw University of Technology)
Sources
Abstract
Abstract The effect of interactions between organic solvents and water on the interfacial and bulk properties of N -ethyl- N -methylmorpholinium dicyanamide, [EMMor][DCA] were discussed on the base of the limiting activity coefficients γ 13 ∞ values. The experimental γ 13 ∞ values were determined by gas–liquid chromatography at temperatures from (298.15 to 368.15) K for 61 assorted solutes—among them, alkanes (linear, branched, or cyclic), alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, tetrahydrofuran, 1,4-dioxane, ethers, acetone, ketones, acetonitrile, pyridine, and 1-nitropropane. The partial molar excess Gibbs free energy Δ G 1 E, ∞ , the partial molar excess enthalpy Δ H 1 E, ∞ , and entropy at reference temperature T ref Δ S 1 E, ∞ at infinite dilution were calculated from the experimental γ 13 ∞ values obtained over this temperature range. The gas–liquid partition coefficient K L was calculated for each solute and discussed in light of the Abraham solvation parameter model. The density and viscosity of the [EMMor][DCA] as a function of temperature were also measured. The selectivity and capacity for six separation problems were calculated from γ 13 ∞ and compared to literature values for selected ionic liquids. These separation problems are central to the petroleum and organic chemistry industry. The data presented here shows that [EMMor][DCA] reveals large selectivity equal 140, 273, 538, 73.1, 87.5 and 10.2 in heptane/benzene, heptane/thiophene, heptane/ethanol, hexane/ethyl acetate, ethyl- tert -butyl ether, ETBE/ethanol and THF/water separation problems at T  = 328.15 K. The capacities were 0.22, 0.42, 0.83, 0.17 and 2.97 for benzene, thiophene, ethanol, ethyl acetate, and water at the same temperature.
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Abstract The activity coefficients γ 13 ∞ at infinite dilution for 64 solutes were determined in the 1-(3-hydroxypropyl)-3-methylimidazolium dicyanamide, [N-C3OHMIM][DCA] and 58 solutes in (3-hydroxypropyl)-1-methylmorpholinium dicyanamide, [N-C3OHMMor][DCA] using the gas-liquid chromatography technique. Measurements were undertaken at six temperatures, in 10 K intervals, in the range of (298.15–368.15) K. The solutes studied included both non-polar and polar compounds, as alkanes, alkenes, and ...
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#1Monika Karpińska (Warsaw University of Technology)H-Index: 20
#2Michał Wlazło (Warsaw University of Technology)H-Index: 21
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