Correlations for describing gas-to-ionic liquid partitioning at 323K based on ion-specific equation coefficient and group contribution versions of the Abraham model

2012

Keywords: Activity coefficient at infinite dilution Ionic liquid 4-(2-Methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate [COC 2 mMOR][FAP] Selectivity Extraction LFER a b s t r a c t This paper presents new data on activity coefficients at infinite dilution, c 1 for 62 different solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, [COC 2 mMOR][FAP]. The data were determined by inverse gas chromatography at six temperatures from T = 318.15 K to T = 368.15 K. These values were compared with ionic liquid based on the same cation and bis(trifluoromethylsulfonyl)-amide anion, [COC 2 mMOR][NTf 2 ]. Additionally the partial molar excess Gibbs free energies DG E;1 1 , enthalpies DH E;1 1 , and entropies DS E;1 1 at infinite dilution were calculated from the experimental c 1 values obtained over the temperatures range. The selectivities and capacities at infinite dilution for hexane/benzene, cyclohexane/benzene, and heptane/thiophene extraction problems were calculated from the c 1 to verify the possibility of investigated ionic liquid as an entrainer in liquid-liquid extraction and desulphurization of fuels. Obtained values were compared with literature data of other ionic liquids based on trifluorotris(perfluoroethyl)phosphate and bis(trifluoromethylsulfonyl)-amide anions and industrial solvents: NMP and sulfolane. Also the Abraham solvation parameter model was used for evaluation of the solvation characteristic of the ionic liquid. Linear free energy relationship (LFER) system constants as a function of temperature were calculated.

Section: Resultsmentioning

confidence: 99%

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate

2012

“…The independent variables in equation (1) are solute descriptors described detailed previously [12][13][14]: E is the solute excess molar refraction, S is the solute dipolarity/polarizability, A and B are the overall or summation solute hydrogen bond acidity and basicity, and L is the logarithm of the gas-hexadecane partition coefficient at T = 298 K. From the solute descriptors and determined regression coefficients it is possible estimation of the K L and c 1 for additional solutes into investigated IL.…”

Section: Ionic Liquidmentioning

confidence: 99%

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate

2013

a b s t r a c t This work presents new data of activity coefficients at infinite dilution, c 1 of different organic solutes and water in the 1-(2-hydroxyethyl)-3-methylimidazolium trifluorotris(perfluoroethyl)phosphate, [C 2 OHmim][FAP] ionic liquid. Values of c 1 were determined for 65 organic solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, aldehydes, acetonitrile and water by inverse gas chromatography within the temperature range from (318.15 to 368.15) K. The basic thermodynamic functions, such as partial molar excess Gibbs energies, DG E;1 1 , enthalpies, DH E;1 1 and entropies, DS E;1 1 at infinite dilution were calculated from the experimental c 1 values obtained over the temperature range. Additionally the gas-liquid partition coefficients, K L were determined. Experimental values of gas-liquid partition coefficients were used to determine the coefficients in the Abraham solvation parameter model (LFER). Results are compared to previously investigated ionic liquids with the same [C 2 OHmim] + cation and [FAP] À anion. The selectivity and capacity at infinite dilution for alkanes/thiophene extraction problems were calculated from experimental c 1 values to verify the possibility of investigated ionic liquid as an entrainer in liquid-liquid extraction.

“…The independent variables in equation (1) are solute descriptors described previously [8,9]: E is the solute excess molar refraction, S is the solute dipolarity/polarizability, A and B are the overall or summation solute hydrogen bond acidity and basicity, and L is the logarithm of the gas-hexadecane [2]. To show the difference in structure, the cation of the above mentioned morpholinium IL is presented below: From this figure, it is clear that ionic liquid based on [FAP] -anion interacts more strongly than IL based on [NTf 2 ] -one with the majority of solutes (lower c 1 13 values) excluding compounds with hydroxyl group like alcohols and water.…”

Section: Resultsmentioning

confidence: 99%

Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate

2013

Keywords:Activity coefficient at infinite dilution Ionic liquid 1-(2-Methoxyethyl)-1-methylpiperidinium trifluorotris (perfluoroethyl)phosphate [COC 2 mPIP][FAP] Selectivity Extraction LFER a b s t r a c tThis work is continuation of our systematic study of activity coefficients at infinite dilution, c 1 of different organic solutes and water in the ionic liquids. New data of c 1 were determined for 62 solutes, including alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, esters, 1-nitropropane, butanal, acetonitrile, and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate by inverse gas chromatography at the temperature range from (318.15 to 368.15) K. The basic thermodynamic functions, namely partial molar excess Gibbs free energies, DG E;1 1 , enthalpies, DH E;1 1 and entropies, DS E;1 1 at infinite dilution were calculated from the experimental c 1 values obtained over the temperature range. Additionally the gas-liquid partition coefficients, K L were determined. Results are compared to previously investigated ionic liquids with the same cations or anions. Values of the selectivity and capacity at infinite dilution for heptane/benzene, heptane/ thiophene, and heptane/methanol extraction problems were calculated from experimental c 1 values to verify the possibility of investigated ionic liquid as an entrainer in liquid-liquid extraction.