DEEP EUTECTIC SOLVENTS BASED ON BETAINE AND PROPYLENE GLYCOL AS POTENTIAL DENITRIFICATION AGENTS: A LIQUID-LIQUID EQUILIBRIUM STUDY

Rogošić, Marko; Krišto, Anđela; Kučan, Kristina Zagajski

doi:10.1590/0104-6632.20190364s20190049

Marko Rogošić

University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, Croatia. E-mail: kzkucan@fkit.hr

http://orcid.org/0000-0002-2341-0067

Anđela Krišto

University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, Croatia. E-mail: kzkucan@fkit.hr

http://orcid.org/0000-0001-8339-8541

Kristina Zagajski Kučan

University of Zagreb, Faculty of Chemical Engineering and Technology, Zagreb, Croatia. E-mail: kzkucan@fkit.hr

http://orcid.org/0000-0002-5123-0733

* Corresponding author: Kristina Zagajski Kučan - E-mail: kzkucan@fkit.hr

Thumbnail

Figure 1
Equilibrium phase compositions in the quasi-ternary system n-hexane (1) - pyridine (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 2
Equilibrium phase compositions in the quasi-ternary system n-heptane (1) - pyridine (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 3
Equilibrium phase compositions in the quasi-ternary system i-octane (1) - pyridine (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 4
Equilibrium phase compositions in the quasi-ternary system n-hexane (1) - thiophene (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 5
Equilibrium phase compositions in the quasi-ternary system n-heptane (1) - thiophene (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 6
Equilibrium phase compositions in the quasi-ternary system i-octane (1) - thiophene (2) - B-PG 1:4 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 7
Equilibrium phase compositions in the quasi-ternary system n-hexane (1) - pyridine (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 8
Equilibrium phase compositions in the quasi-ternary system n-heptane (1) - pyridine (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 9
Equilibrium phase compositions in the quasi-ternary system i-octane (1) - pyridine (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 10
Equilibrium phase compositions in the quasi-ternary system n-hexane (1) - thiophene (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 11
Equilibrium phase compositions in the quasi-ternary system n-heptane (1) - thiophene (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 12
Equilibrium phase compositions in the quasi-ternary system i-octane (1) - thiophene (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure 13
Equilibrium phase compositions in the quasi-ternary system toluene (1) - thiophene (2) - B-PG 1:5 (3), at 298.15 K and at atmospheric pressure.

Thumbnail

Figure. 14
The dependence of distribution ratio, β, on the mass fraction of pyridine or thiophene in the feed, w ₂ ^F . Pyridine and thiophene systems are denoted by black and white symbols, respectively. Squares, circles, triangles, and diamonds stand for the systems with n-hexane, n-heptane, i-octane, and toluene, respectively. The measurements were done at 298.15 K and at atmospheric pressure.

Thumbnail

Table 1
Chemicals.

Thumbnail

Table 2
Determination of physico-chemical properties of DESs.

Thumbnail

Table 3
Temperature diffusivity, a, thermal conductivity, λ, and heat capacity, c _p , of deep eutectic solvents. The measurements were done at atmospheric pressure.

Thumbnail

Table 4
Density, ρ; dynamic viscosity, µ; specific conductance, σ; refractive index, n _D; as functions of temperature for the investigated deep eutectic solvents. The measurements were done at atmospheric pressure.

Thumbnail

Table 5
Correlations of density, ρ; dynamic viscosity, µ; specific conductance, σ; refractive index, n _D; vs. temperature for investigated deep eutectic solvents.

Thumbnail

Table 6
Experimental and model tie lines in quasi-three-component systems, at 298.15 K and at atmospheric pressure.

Thumbnail

Table 7
UNIQUAC structural parameters.

Thumbnail

Table 8
Optimal parameters of the NRTL and UNIQUAC activity coefficient models and the average absolute prediction errors for the systems with DES B-PG 1:4.

Thumbnail

Table 9
Optimal parameters of the NRTL and UNIQUAC activity coefficient models and the average absolute prediction errors for the systems with DES B-PG 1:5.

(1)

(2)

(3)

(4)

(5)

(6)

(7)

(8)

(9)

(10)

(11)

(12)

(13)

(14)

(15)

(16)

(17)

(18)

(19)

(20)

Chemical	CAS number	Manufacturer (Town, Country)	Purity / wt. %	Molar mass / g mol^-1
n-hexane	110-54-3	Carlo Erba Reagents (Val de Reuil, France)	>98.5	86.18
n-heptane	142-82-5	Carlo Erba Reagents (Val de Reuil, France)	99	100.21
i-octane	540-84-1	Kemika (Zagreb, Croatia)	>99.5	114.23
toluene	108-88-3	Lach:ner (Neratovice, Czech Republic)	>99.3	92.14
thiophene	110-02-1	Acros Organics (Geel, Belgium)	>99	84.14
pyridine	110-86-1	Carlo Erba Reagents (Val de Reuil, France)	>99	79.10
betaine	107-43-7	Acros Organics (Geel, Belgium)	98	117.15
propylene glycol	57-55-6	Acros Organics (Geel, Belgium)	99	76.10

Property	Measuring device	Temperature (K)
Specific conductance	Schott Instruments Lab 960 conductivity meter	288.15 - 328.15
Refractive index	Abbe refractometer, model RL-3, Poland	288.15 - 328.15
Density	Anton Paar Density Meter DMA 4500 M	288.15 - 328.15
Thermal properties	Thermal conductometer, Linseis Transient Hot Bridge 1	298.15
Dynamic viscosity	Brookfield DV-III Ultra V 6.0 Programmable Rheometer; rotation spindle SC-421, maximal shear rate γ’=182s^-1	288.15 - 328.15

DES	T / K	a / mm² s^-1	λ / W (m K)^-1	c_p / J (g K)^-1
B-PG 1:4	298.75±0.1	0.1057	0.2028	1.8067
B-PG 1:5	298.45±0.1	0.1370	0.2050	1.4000

Property	DES	T / K
Property	DES	288.15±0.1	298.15±0.1	308.15±0.1	318.15±0.1	328.15±0.1
ρ / kg m^-3	B-PG 1:4	1075.21	1069.33	1062.61	1055.96	1048.46
ρ / kg m^-3	B-PG 1:5	1073.24	1066.56	1059.8	1053.08	1046.31
µ / Pa s	B-PG 1:4	0.2454	0.118 4	0.0616	0.0347	0.0218
µ / Pa s	B-PG 1:5	0.2157	0.092 4	0.0514	0.03	0.0187
σ / mS cm^-1	B-PG 1:4	3.1	4.5	7.2	11.9	19.5
σ / mS cm^-1	B-PG 1:5	0.3	0.5	0.7	1.1	1.8
n_D	B-PG 1:4	1.4509	1.4498	1.4468	1.4449	1.4422
n_D	B-PG 1:5	1.4492	1.4470	1.4443	1.4425	1.4412

y-property	x-property	DES	Correlation	Regression coefficient, R²
ρ / kg m^-3	T / K	B-PG 1:4	y=1268.4-0.668x	0.9977
ρ / kg m^-3	T / K	B-PG 1:5	y=1267.3-0.673x	0.9999
µ / Pa s	T / K	B-PG 1:4	y=-93.42+9.027×10⁴/x-2.911×10⁷/x²+3.134×10⁹/x³	0.9995
µ / Pa s	T / K	B-PG 1:5	y=-132.8+1.265×10⁵/x-4.019×10⁷/x²+4.260×10⁹/x³	0.9963
σ / mS cm^-1	T / K	B-PG 1:4	y=2.395×10^-6exp(0.0485x)	0.9988
σ / mS cm^-1	T / K	B-PG 1:5	y=5.179×10^-7exp(0.0459x)	0.9950
n_D	T / K	B-PG 1:4	y=1.516-2.230×10^-4x	0.979
n_D	T / K	B-PG 1:5	y=1.508-2.058×10^-4x	0.977

n-hexane (1) - pyridine (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1024	0.4257	0.038	0.000	0.165	0.835	0.0399	0.0000	0.1640	0.8359	0.0365	0.0000	0.1650	0.8350
0.2163	0.3480	0.097	0.000	0.327	0.673	0.0931	0.0000	0.3289	0.6710	0.0944	0.0000	0.3284	0.6716
0.3096	0.3189	0.128	0.000	0.444	0.556	0.1314	0.0000	0.4431	0.5568	0.1348	0.0000	0.4418	0.5582
0.4101	0.2897	0.168	0.000	0.547	0.453	0.1658	0.0000	0.5475	0.4524	0.1677	0.0000	0.5468	0.4532
0.5160	0.2372	0.199	0.000	0.657	0.343	0.1999	0.0000	0.6569	0.3430	0.1963	0.0000	0.6581	0.3419
n-heptane (1) - pyridine (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1046	0.4365	0.250	0.000	0.668	0.332	0.2446	0.0000	0.6698	0.3302	0.2404	0.0005	0.6715	0.3284
0.2094	0.3618	0.072	0.000	0.137	0.863	0.0623	0.0000	0.1400	0.8600	0.0394	0.0288	0.1487	0.8513
0.3078	0.3307	0.098	0.000	0.310	0.690	0.0943	0.0000	0.3118	0.6882	0.0873	0.0139	0.3165	0.6835
0.4209	0.2752	0.131	0.000	0.434	0.566	0.1271	0.0000	0.4354	0.5646	0.1282	0.0066	0.4365	0.5635
0.5208	0.2154	0.164	0.000	0.568	0.432	0.1774	0.0000	0.5621	0.4379	0.1810	0.0022	0.5613	0.4387
i-octane (1) - pyridine (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1044	0.4388	0.058	0.000	0.148	0.852	0.0519	0.0000	0.1505	0.8495	0.0333	0.0229	0.1588	0.8412
0.2170	0.3512	0.084	0.000	0.336	0.664	0.0814	0.0000	0.3369	0.6631	0.0765	0.0092	0.3409	0.6591
0.3053	0.3412	0.102	0.000	0.437	0.563	0.1034	0.0000	0.4366	0.5634	0.1047	0.0047	0.4373	0.5627
0.4096	0.2745	0.142	0.000	0.566	0.434	0.1452	0.0000	0.5640	0.4360	0.1508	0.0014	0.5620	0.4380
0.5232	0.2169	0.214	0.000	0.676	0.324	0.2130	0.0000	0.6763	0.3237	0.2080	0.0003	0.6784	0.3216
n-hexane (1) - thiophene (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1036	0.5633	0.225	0.000	0.069	0.931	0.2183	0.0001	0.0713	0.9287	0.2206	0.0000	0.0706	0.9294
0.2121	0.3720	0.295	0.000	0.093	0.907	0.3057	0.0002	0.0888	0.9112	0.2998	0.0000	0.0911	0.9090
0.3119	0.3263	0.430	0.000	0.107	0.893	0.4249	0.0003	0.1092	0.8908	0.4289	0.0000	0.1075	0.8926
n-heptane (1) - thiophene (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.0665	0.4195	0.110	0.000	0.006	0.994	0.1181	0.0000	0.0044	0.9956	0.0821	0.0000	0.0137	0.9863
0.1042	0.4229	0.154	0.000	0.041	0.959	0.1543	0.0000	0.0406	0.9594	0.1611	0.0000	0.0385	0.9615
0.2148	0.3533	0.277	0.000	0.123	0.877	0.2954	0.0000	0.1150	0.8850	0.2967	0.0000	0.1147	0.8847
0.3369	0.2752	0.417	0.000	0.176	0.824	0.4167	0.0000	0.1768	0.8232	0.3999	0.0005	0.1864	0.8106
i-octane (1) - thiophene (2) - B-PG 1:4 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.0605	0.4460	0.157	0.000	0.046	0.954	0.1538	0.0002	0.0468	0.9532	0.1586	0.0000	0.0452	0.9549
0.1071	0.4265	0.299	0.000	0.081	0.919	0.3040	0.0005	0.0788	0.9212	0.2972	0.0000	0.0817	0.9183
0.2112	0.3690	0.439	0.000	0.108	0.892	0.4486	0.0007	0.1023	0.8977	0.4394	0.0000	0.1075	0.8925
0.3198	0.3211	0.551	0.000	0.112	0.888	0.5399	0.0009	0.1189	0.8811	0.5507	0.0000	0.1124	0.8876
n-hexane (1) - pyridine (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1076	0.4188	0.060	0.000	0.156	0.844	0.0606	0.0000	0.1558	0.8439	0.0387	0.0227	0.1627	0.8372
0.2059	0.3834	0.093	0.000	0.299	0.701	0.0903	0.0000	0.3002	0.6996	0.0773	0.0107	0.3057	0.6943
0.3312	0.2932	0.132	0.000	0.483	0.517	0.1374	0.0000	0.4811	0.5188	0.1404	0.0026	0.4807	0.5193
0.4213	0.2735	0.174	0.000	0.566	0.434	0.1719	0.0000	0.5670	0.4330	0.1813	0.0010	0.5639	0.4361
0.5445	0.2033	0.271	0.000	0.689	0.311	0.2709	0.0000	0.6892	0.3108	0.2654	0.0001	0.6911	0.3089
n-heptane (1) - pyridine (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1012	0.4379	0.070	0.000	0.132	0.868	0.0637	0.0000	0.1340	0.8660	0.0750	0.0000	0.1304	0.8695
0.1994	0.3942	0.106	0.000	0.278	0.722	0.0939	0.0000	0.2820	0.7180	0.0923	0.0000	0.2825	0.7171
0.3039	0.3384	0.134	0.000	0.423	0.577	0.1335	0.0000	0.4237	0.5763	0.1313	0.0000	0.4236	0.5734
0.4164	0.2795	0.172	0.000	0.558	0.442	0.1866	0.0000	0.5521	0.4479	0.1835	0.0000	0.5487	0.4408
0.5134	0.2353	0.252	0.000	0.646	0.354	0.2443	0.0000	0.6486	0.3514	0.2475	0.0000	0.6352	0.3418
i-octane (1) - pyridine (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1011	0.4497	0.053	0.000	0.145	0.855	0.0504	0.0000	0.1456	0.8544	0.0498	0.0000	0.1459	0.8542
0.2017	0.3931	0.071	0.000	0.303	0.697	0.0752	0.0000	0.3009	0.6991	0.0736	0.0000	0.3015	0.6982
0.2948	0.3550	0.104	0.000	0.417	0.583	0.0999	0.0000	0.4191	0.5809	0.1024	0.0000	0.4173	0.5810
0.4088	0.2889	0.140	0.000	0.554	0.446	0.1422	0.0000	0.5535	0.4465	0.1467	0.0000	0.5480	0.4447
0.5034	0.2480	0.193	0.000	0.642	0.358	0.1923	0.0000	0.6419	0.3581	0.1876	0.0000	0.6342	0.3487
n-hexane (1) - thiophene (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1148	0.5463	0.149	0.000	0.093	0.899	0.1487	0.0006	0.0932	0.9068	0.1503	0.0000	0.0928	0.9071
0.2097	0.5081	0.326	0.000	0.128	0.865	0.3068	0.0002	0.1342	0.8658	0.3089	0.0000	0.1335	0.8663
0.3124	0.4998	0.502	0.000	0.219	0.746	0.5200	0.0001	0.2157	0.7843	0.5211	0.0000	0.2157	0.7834
0.4067	0.5142	0.705	0.000	0.300	0.698	0.6938	0.0001	0.3073	0.6927	0.6925	0.0000	0.3115	0.6861
n-heptane (1) - thiophene (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1067	0.4283	0.162	0.000	0.038	0.962	0.1521	0.0007	0.0424	0.9452	0.1345	0.0046	0.0451	0.9549
0.2006	0.3850	0.268	0.000	0.113	0.887	0.2859	0.0005	0.1077	0.8880	0.2878	0.0036	0.1056	0.8944
0.3041	0.3390	0.406	0.000	0.151	0.849	0.4091	0.0003	0.1507	0.8463	0.3982	0.0029	0.1541	0.8459
0.4096	0.2811	0.527	0.000	0.188	0.812	0.5205	0.0002	0.1934	0.8043	0.5251	0.0022	0.1887	0.8113
i-octane (1) - thiophene (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1047	0.5108	0.151	0.000	0.064	0.967	0.1512	0.0000	0.0617	0.9383	0.1515	0.0000	0.0616	0.9385
0.2115	0.5036	0.323	0.000	0.125	0.891	0.3194	0.0000	0.1244	0.8756	0.3210	0.0000	0.1237	0.8763
0.3208	0.4936	0.519	0.000	0.205	0.783	0.5159	0.0000	0.2053	0.7948	0.5149	0.0000	0.2060	0.7940
0.4135	0.5012	0.697	0.000	0.297	0.707	0.6910	0.0000	0.2971	0.7029	0.6921	0.0000	0.2963	0.7034
toluene (1) - thiophene (2) - B-PG 1:5 (3)
experiment						NRTL				UNIQUAC
feed		raffinate		extract		raffinate		extract		raffinate		extract
w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃	w₂	w₃
0.1018	0.4420	0.181	0.000	0.002	0.998	0.1888	0.0010	0.0000	1.0000	0.1888	0.0010	0.0000	1.0000
0.1919	0.4099	0.311	0.000	0.029	0.971	0.3111	0.0013	0.0287	0.9713	0.3111	0.0013	0.0287	0.9713
0.3123	0.3092	0.435	0.000	0.062	0.938	0.4285	0.0013	0.0647	0.9353	0.4285	0.0013	0.0647	0.9353
0.4253	0.2475	0.549	0.000	0.098	0.902	0.5546	0.0012	0.0946	0.9054	0.5546	0.0012	0.0946	0.9054

Component	r	q
n-hexane	4.4998	3.856
n-heptane	5.1742	4.396
i-octane	5.8463	5.008
toluene	3.9228	2.968
thiophene	2.8569	2.140
pyridine	2.9993	2.113
B-PG 1:4	11.6173	9.494
B-PG 1:5	13.6133	11.091

NRTL α₁₂; α₁₃; α₂₃=0.3; 0.3; 0.3	τ₁₂	τ₁₃	τ₂₁	τ₂₃	τ₃₁	τ₃₂	A
n-hexane (1) - pyridine (2) - B-PG 1:4 (3)	1.5952	19.7077	7.9844	21.5525	6.4896	-1.1851	0.0016
n-heptane (1) - pyridine (2) - B-PG 1:4 (3)	2.1772	11.4895	9.7467	21.6871	18.2586	2.5599	0.0050
i-octane (1) - pyridine (2) - B-PG 1:4 (3)	2.2532	12.0000	9.4107	18.4315	18.5736	2.4763	0.0021
n-hexane (1) - thiophene (2) - B-PG 1:4 (3)	1.5936	12.7732	13.7979	8.3304	20.5367	10.6499	0.0048
n-heptane (1) - thiophene (2) - B-PG 1:4 (3)	5.2635	15.0755	12.0013	13.8160	12.1866	4.2244	0.0063
i-octane (1) - thiophene (2) - B-PG 1:4 (3)	1.5487	13.4831	14.6053	7.5884	21.1505	10.3957	0.0053
UNIQUAC	τ₁₂	τ₁₃	τ₂₁	τ₂₃	τ₃₁	τ₃₂	A
n-hexane (1) - pyridine (2) - B-PG 1:4 (3)	1.3552	0.6080	0.0245	2.7793	0.0431	0.3972	0.0021
n-heptane (1) - pyridine (2) - B-PG 1:4 (3)	1.8391	1.5234	0.0505	0.2670	0.0597	4.2797	0.0088
i-octane (1) - pyridine (2) - B-PG 1:4 (3)	1.7755	1.5587	0.0725	0.2844	0.0515	4.4658	0.0062
n-hexane (1) - thiophene (2) - B-PG 1:4 (3)	0.8637	0.4563	0.0765	0.1729	0.0589	0.7295	0.0022
n-heptane (1) - thiophene (2) - B-PG 1:4 (3)	3.9416	0.1249	0.0018	3.0683	0.0756	0.1042	0.0033
i-octane (1) - thiophene (2) - B-PG 1:4 (3)	1.1483	0.4315	0.0854	0.1168	0.1219	0.8969	0.0007

NRTL α₁₂; α₁₃; α₂₃ = 0.3; 0.3; 0.3	τ₁₂	τ₁₃	τ₂₁	τ₂₃	τ₃₁	τ₃₂	A
n-hexane (1) - pyridine (2) - B-PG 1:5 (3)	2.3561	18.4758	9.6071	19.9005	5.1791	1.4430	0.0017
n-heptane (1) - pyridine (2) - B-PG 1:5 (3)	2.1756	11.4651	9.6896	21.7230	18.2642	2.5674	0.0059
i-octane (1) - pyridine (2) - B-PG 1:5 (3)	2.3042	12.0173	9.3955	18.4660	18.5811	2.4770	0.0019
n-hexane (1) - thiophene (2) - B-PG 1:5 (3)	10.3862	12.4890	14.1446	10.9529	9.4259	-1.3641	0.0082
n-heptane (1) - thiophene (2) - B-PG 1:5 (3)	1.1517	7.4370	12.0344	10.5992	2.9090	9.8906	0.0081
i-octane (1) - thiophene (2) - B-PG 1:5 (3)	0.1830	14.3038	16.2916	12.6268	10.6391	-0.7011	0.0014
toluene (1) - thiophene (2) - B-PG 1:5 (3)	0.5731	8.7294	13.2245	7.7782	21.1405	9.7197	0.0037
UNIQUAC	_τ12	_τ13	_τ21	_τ23	_τ31	_τ32	A
n-hexane (1) - pyridine (2) - B-PG 1:5 (3)	2.1026	1.5246	0.0243	0.1822	0.0559	5.8425	0.0062
n-heptane (1) - pyridine (2) - B-PG 1:5 (3)	0.2400	0.0444	1.3738	2.3506	0.0041	0.0038	0.0074
i-octane (1) - pyridine (2) - B-PG 1:5 (3)	0.2250	0.0480	1.4369	2.5417	0.0041	0.0037	0.0046
n-hexane (1) - thiophene (2) - B-PG 1:5 (3)	0.0998	0.0025	2.5325	0.0021	0.0503	2.8164	0.0080
n-heptane (1) - thiophene (2) - B-PG 1:5 (3)	1.0880	1.3835	0.0248	0.3163	0.0063	0.7248	0.0101
i-octane (1) - thiophene (2) - B-PG 1:5 (3)	0.2473	0.0029	2.3157	0.0022	0.0268	2.6582	0.0014
toluene (1) - thiophene (2) - B-PG 1:5 (3)	0.2320	0.0033	4.7599	0.0016	0.0871	2.2170	0.0053

\frac{g^{ex}}{RT} = \sum_{i = 1}^{n_{c}} x_{i} [\frac{\sum_{j = 1}^{n_{c}} τ_{ji} G_{ji} x_{j}}{\sum_{k = 1}^{n_{c}} G_{ki} x_{k}}]

ln γ_{i} = \frac{\sum_{j = 1}^{n_{c}} x_{j} τ_{ji} G_{ji}}{\sum_{l = 1}^{n_{c}} x_{l} G_{li}} + \sum_{j = 1}^{n_{c}} \frac{x_{j} G_{ij}}{\sum_{l = 1}^{n_{c}} x_{l} G_{lj}} (τ_{ij} - \frac{\sum_{m = 1}^{n_{c}} x_{m} τ_{mj} G_{mj}}{\sum_{l = 1}^{n_{c}} x_{l} G_{lj}})

ln γ_{i}^{R} = q_{i} (1 - ln \sum_{j = 1}^{n_{c}} Θ_{j} τ_{ji} - \sum_{j = 1}^{n_{c}} \frac{Θ_{j} τ_{ij}}{\sum_{k = 1}^{n_{c}} Θ_{k} τ_{kj}})

{OF}_{1} = \sum_{j = 1}^{n_{d}} \sum_{i = 1}^{n_{c}} {(\frac{x_{i}^{R} γ_{i}^{R} - x_{i}^{E} γ_{i}^{E}}{x_{i}^{R} γ_{i}^{R} + x_{i}^{E} γ_{i}^{E}})}_{j}^{2} + Q (τ_{12}^{2} + τ_{21}^{2} + τ_{13}^{2} + τ_{31}^{2} + τ_{23}^{2} + τ_{32}^{2})

{OF}_{2} = \sum_{j = 1}^{n_{d}} \sum_{i = 1}^{n_{c}} \sum_{p = R, E} {[{(w_{i}^{p})}_{exp} - {(w_{i}^{p})}_{mod}]}_{j}^{2} + Q (τ_{12}^{2} + τ_{21}^{2} + τ_{13}^{2} + τ_{31}^{2} + τ_{23}^{2} + τ_{32}^{2})

[1] * Corresponding author: Kristina Zagajski Kučan - E-mail: kzkucan@fkit.hr

Brasil

Brasil

DEEP EUTECTIC SOLVENTS BASED ON BETAINE AND PROPYLENE GLYCOL AS POTENTIAL DENITRIFICATION AGENTS: A LIQUID-LIQUID EQUILIBRIUM STUDY

Abstract