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

Urszula Domańska-Żelazna , Monika Karpińska , Michał Wlazło


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 values. The experimental 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 , the partial molar excess enthalpy , and entropy at reference temperature at infinite dilution were calculated from the experimental values obtained over this temperature range. The gas–liquid partition coefficient 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 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.
Author Urszula Domańska-Żelazna (FC / DPC) - [Thermodynamic Research Unit, School of Chemical Engineering, Instytut Chemii Przemysłowej im. prof. Ignacego Mościckiego]
Urszula Domańska-Żelazna,,
- Department Of Physical Chemistry
- Thermodynamic Research Unit, School of Chemical Engineering
- Instytut Chemii Przemysłowej im. prof. Ignacego Mościckiego
, Monika Karpińska (FC / DPC)
Monika Karpińska,,
- Department Of Physical Chemistry
, Michał Wlazło (FC / DPC)
Michał Wlazło,,
- Department Of Physical Chemistry
Journal seriesJournal of Chemical Thermodynamics, ISSN 0021-9614, (A 35 pkt)
Issue year2018
Publication size in sheets0.5
Keywords in EnglishIonic liquid[EMMor][DCA]Experimental limiting activity coefficientsThermodynamicsThe Abraham solvation parameter modelSeparation of binary mixtures
ASJC Classification1606 Physical and Theoretical Chemistry; 2500 General Materials Science; 3107 Atomic and Molecular Physics, and Optics
Languageen angielski
1-s2.0-S0021961418300831-main.pdf 859.75 KB
Score (nominal)35
ScoreMinisterial score = 35.0, 23-09-2019, ArticleFromJournal
Publication indicators Scopus SNIP (Source Normalised Impact per Paper): 2017 = 1.111; WoS Impact Factor: 2017 = 2.631 (2) - 2017=2.531 (5); Scopus Citations = 7
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