PHASE EQUILIBRIA FOR BINARY SYSTEMS CONTAINING IONIC LIQUID WITH WATER OR HYDROCARBONS

Santos, Dheiver; Góes, M.; Franceschi, E.; Santos, A.; Dariva, C.; Fortuny, M.; Mattedi, S.

doi:10.1590/0104-6632.20150324s00003609

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Thermodynamics • Braz. J. Chem. Eng. 32 (4) • Oct-Dec 2015 • https://doi.org/10.1590/0104-6632.20150324s00003609 copy

PHASE EQUILIBRIA FOR BINARY SYSTEMS CONTAINING IONIC LIQUID WITH WATER OR HYDROCARBONS

Authorship SCIMAGO INSTITUTIONS RANKINGS

Abstract

In this work, the mutual solubilities of sets of ionic liquids ([C_nMIM] [TF2N] (n = 4, 8, 12), [C₄PY] [TF₂N], [C₈MIM] [OTF]) and organic compounds (heptane, o-xylene, toluene, or water) are investigated. The experimental data measured for these systems were used to adjust the binary interaction parameters between their components for the Non-Random Two Liquid (NRTL) model. The results showed that the solubility increased with temperature, with high hygroscopicity (10^-1 in terms of mole fraction) of the ILs, low interactions with aliphatic hydrocarbons, high interactions with aromatic hydrocarbons and the presence of a lower critical solution temperature (LCST). In addition, this study is the first to show that [C₁₂MIM] [TF₂N] is completely soluble in toluene and ortho-xylene between 273.15 and 373.15 K at 1 bar. The average deviations related to the mole fraction between the experimental and calculated values by the NRTL were less than 2.4%.

Keywords
Phase equilibria; Ionic liquid; Hydrocarbon; Water; NRTL

i	j	g_ij (K)	g_ij (K)	Δx Rmsd %
heptanes	[C₄MIM][TF₂N]	2499.99	821.84	1.0
heptanes	[C₈MIM][TF₂N]	1360.24	287.22	1.0
heptanes	[C₁₂MIM][TF₂N]	1453.68	-62.35	1.3
heptanes	[C4PY ][TF2N]	2499.98	918.96	0.4
heptanes	[C₈MIM][OTF]	1236.30	301.825	2.4
Water	[C₄MIM][TF₂N]	1305.09	211.19	1.5
Water	[C₈MIM][TF₂N]	1275.97	303.32	1.7
Water	[C₁₂MIM][TF₂N]	1255.51	258.91	2.0
Water	[C₄PY ][TF₂N]	1255.95	208.07	2.0
Water	[C₈MIM][OTF]	1335.12	87.85	1.5

T/K	[C₄MIM][TF₂N]		[C₈MIM][TF₂N]		[C₁₂MIM][TF₂N]		[C₄PY][TF₂N]		[C₈MIM][OTF]
	(x_w ± σ)		(x_w ± σ)		(x_w ± σ)		(x_w ± σ)		(x_w ± σ)
293.2	0.243	0.004	0.184	0.010	0.218	0.063	0.253	0.010	0.369	0.082
298.2	0.251	0.007	0.202	0.002	0.235	0.029	0.266	0.018	0.377	0.077
303.2	0.264	0.038	0.223	0.029	0.236	0.030	0.294	0.015	0.382	0.070
308.2	0.289	0.002	0.237	0.010	0.265	0.060	0.309	0.075	0.399	0.010
313.2	0.302	0.039	0.256	0.008	0.304	0.079	0.334	0.091	0.405	0.010

T/K	[C₄MIM][TF₂N]		[C₈MIM][TF₂N]		[C₁₂MIM][TF₂N]		[C₄PY][TF₂N]		[C₈MIM][OTF]
	10⁴(x_IL ± σ)		10⁴(x_IL ± σ)		10⁵(x_IL ± σ)		10⁴(x_IL ± σ)		10⁴(x_IL ± σ)
293.2	4.030	2.080	0.927	0.5810	6.790	0.967	3.980	0.382	7.260	1.120
298.2	4.320	1.320	1.080	0.8270	8.430	1.870	3.990	0.324	7.600	0.525
303.2	4.430	0.723	1.100	0.6860	10.300	0.611	4.090	0.169	7.740	1.670
308.2	4.690	0.587	1.220	0.2030	11.300	0.330	4.400	0.928	8.150	0.552
313.2	4.800	0.670	1.420	0.4320	15.800	0.478	5.080	0.663	8.420	0.862

T/K	[C₄MIM][TF₂N]		[C₈MIM][TF₂N]		[C₁₂MIM][TF₂N]		[C₄PY][TF₂N]		[C₈MIM][OTF]
	(x_c₇ ± σ)		(x_c₇ ± σ)		(x_c₇ ± σ)		(x_c₇ ± σ)		(x_c₇ ± σ)
293.2	0.059	0.006	0.211	0.014	0.500	0.049	0.039	0.016	0.182	0.053
298.2	0.077	0.024	0.235	0.042	0.509	0.014	0.045	0.008	0.200	0.080
303.2	0.089	0.017	0.241	0.089	0.515	0.041	0.051	0.001	0.209	0.041
308.2	0.093	0.014	0.243	0.027	0.523	0.058	0.055	0.002	0.219	0.048
313.2	0.108	0.018	0.258	0.064	0.548	0.135	0.063	0.008	0.288	0.134

T/K	[C₄MIM][TF₂N]		[C₈MIM][TF₂N]		[C₁₂MIM][TF₂N]		[C₄PY][TF₂N]		[C₈MIM][OTF]
	10⁵(x_IL ± s)		10⁵(x_IL ± s)		10⁵(x_IL± s)		10⁵(x_IL± s)		10⁵(x_IL ± s)
293.2	1.910	0.547	1.990	0.552	6.320	0.495	3.120	0.226	3.170	0.995
298.2	2.380	1.490	3.040	0.426	6.330	0.995	4.820	1.000	7.150	0.675
303.2	2.540	0.056	4.140	0.716	6.610	0.103	5.540	2.270	7.330	0.596
308.2	5.420	1.690	4.700	3.690	7.490	0.223	7.220	1.620	8.250	4.090
313.2	9.050	2.670	5.300	1.670	8.850	0.873	14.40	4.110	8.950	0.643

T/K	[C₄MIM][TF₂N]		T/K	[C₈MIM][TF₂N]		T/K	[C₈MIM][TFO]
Toluene
293.2	*10⁴(x_IL)*	± s		*10³(x_IL)*	± s		*10³(x_IL)*	± s
293.2	5.550	1.220	293.2	5.560	0.129	283.2	0.850	0.164
303.2	4.470	0.127	298.2	4.610	0.315	293.2	1.190	0.095
313.2	3.830	0.349	308.2	3.560	0.242	303.2	1.540	0.093
323.2	6.840	1.090	318.2	2.700	0.208	313.2	1.740	0.129
			323.2	2.620	0.142
T/K			T/K	O-Xylene		T/K
283.2	*10⁴(x_IL)*	± s		*10³(x_IL)*	± s		*10³(x_IL)*	± s
283.2	4.700	0.359	283.2	1.570	0.101	283.2	0.451	0.046
293.2	5.210	0.780	293.2	1.820	0.049	293.2	0.749	0.053
303.2	5.610	0.598	303.2	2.190	0.089	303.2	1.010	0.060
323.2	6.020	0.441	313.2	2.370	0.055	313.2	1.130	0.466
			323.2	2.700	0.088	323.2	1.600	0.194

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