(Liquid + liquid) equilibria in {water + acrylic acid + (1-butanol,or 2-butanol,or 1-pentanol)} systems at T = 293.2 K,T = 303.2 K,and T = 313.2 K and atmospheric pressure

(Liquid + liquid) equilibrium (LLE) data for {water + acrylic acid + (1-butanol, or 2-butanol, or 1-pentanol)} at T = 293.2 K, T = 303.2 K, and T = 313.2 K and atmospheric pressure (≈95 kPa) were determined by Karl Fischer titration and densimetry. All systems present type I binodal curves. The size of immiscibility region changes little with an increase in temperature, but increases according to the solvent, following the order: 2-butanol < 1-butanol < 1-pentanol. Values of solute distribution and solvent selectivities show that 1-pentanol is a better solvent than 1-butanol or 2-butanol for acrylic acid removal from water solutions. Quality of data was ascertain by Hand and Othmer-Tobias equations, giving R² > 0.916, mass balance and accordance between tie lines and cloud points. The NRTL model was used to correlate experimental data, by estimating new energy parameters, with root mean square deviations below 0.0053 for all systems.     

Volumetric properties of ternary (IL + 2-propanol or 1-butanol or 2-butanol + ethyl acetate) systems and binary (IL + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate) systems

The experimental densities for the binary or ternary systems were determined at T = (298.15, 303.15, and 313.15) K. The ionic liquid methyl trioctylammonium bis(trifluoromethylsulfonyl)imide ([MOA]⁺[Tf₂N]⁻) was used for three of the five binary systems studied. The binary systems were ([MOA]⁺[Tf₂N]⁻ + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate). The ternary systems were {methyl trioctylammonium bis(trifluoromethylsulfonyl)imide + 2-propanol or 1-butanol or 2-butanol + ethyl acetate}. The binary and ternary excess molar volumes for the above systems were calculated from the experimental density values for each temperature. The Redlich–Kister smoothing polynomial was fitted to the binary excess molar volume data. Virial-Based Mixing Rules were used to correlate the binary excess molar volume data. The binary excess molar volume results showed both negative and positive values over the entire composition range for all the temperatures.The ternary excess molar volume data were successfully correlated with the Cibulka equation using the Redlich–Kister binary parameters.     

Measurements of the density and viscosity of binary mixtures of (hyper-branched polymer,B-H2004 + 1-butanol,or 1-hexanol,or 1-octanol,or methyl tert-butyl ether)

Density and viscosity were determined for binary mixtures of {hyper-branched polymer, Boltorn H2004 (B-H2004) + 1-alcohol (1-butanol, 1-hexanol, and 1-octanol)} at T = (298.15, 308.15, 318.15, 328.15, and 338.15) K and of {B-H2004 + methyl tert-butyl ether (MTBE)} at T = (298.15, 308.15, and 318.15) K and ambient pressure. The temperature dependence of density and viscosity is described by linear regression and by the Vogel–Fucher–Tammann equation, respectively. Excess volumes for the system {B-H2004 + MTBE} are presented as a function of mass fraction. Viscosity deviations were calculated and correlated by the Redlich–Kister polynomial expansions using also the mass fractions. The polynomial correlations describe the variation of viscosity with composition. A qualitative discussion on these quantities in terms of molecular interactions is reported.     

Salt effect on (liquid + liquid) equilibrium of (water + tert-butanol + 1-butanol) system: Experimental data and correlation

(Liquid + liquid) equilibrium data for the quaternary systems (water + tert-butanol + 1-butanol + KBr) and (water + tert-butanol + 1-butanol + MgCl₂) were experimentally determined at T = 293.15 K and T = 313.15 K. For mixtures with KBr, the overall salt concentrations were 5 and 10 mass percent; for mixtures with MgCl₂, the overall salt concentrations were 2 and 5 mass percent. The experimental results were used to estimate molecular interaction parameters for the NRTL activity coefficient model, using the Simplex minimization method and a concentration-based objective function. The correlation results are extremely satisfactory, with deviations in phase compositions below 1.7%.     

(Liquid + liquid) equilibria for (water + 1-propanol + diisopropyl ether + octane,or methylbenzene,or heptane) systems at T = 298.15 K

(Liquid + liquid) equilibria (LLE) data were presented for one ternary system of {water + octane + diisopropyl ether (DIPE)} and three quaternary systems of (water + 1-propanol + DIPE + octane, or methylbenzene, or heptane) at T = 298.15 K and p = 100 kPa. The experimental LLE data were correlated with the modified and extended UNIQUAC models. Distribution coefficients were derived from the experimental LLE data to evaluate the solubility behavior of components in organic and aqueous phases.     

Ternary and quaternary (liquid + liquid) equilibria for (water + ethanol + α-pinene, +β-pinene,or +limonene) and (water + ethanol + α-pinene + limonene) at the temperature 298.15 K

(Liquid + liquid) equilibria and tie-lines for the ternary (water + ethanol + α-pinene, or β-pinene or limonene) and quaternary (water + ethanol + α-pinene + limonene) mixtures have been measured at T = 298.15 K. The experimental multicomponent (liquid + liquid) equilibrium data have been successfully represented in terms of the modified UNIQUAC model with binary parameters.     

Measurements and modeling for the density of 2-methoxy-2,4,4-trimethylpentane,HE for (methanol + 2-methoxy-2,4,4-trimethylpentane), LLE for (water + 2-methoxy-2,4,4-trimethylpentane) and LLE for (water + methanol + 2-methoxy-2,4,4-trimethylpentane)

Oxygenates are used in gasoline to increase the octane number and reduce carbon monoxide emission. 2-methoxy-2,4,4-trimethylpentane (TOME) is a tertiary ether which can potentially be used in addition with current oxygenates. This compound can be produced by etherification of diisobutylene with methanol. During the etherification, water is formed due to the dehydration of methanol. The appearance of water can cause (liquid + liquid) phase split in the production process. In this work, several physical properties of systems containing water, methanol and TOME are studied for the first time. The liquid density of 2-methoxy-2,4,4-trimethylpentane is presented from T = (298.15 to 408.16) K. Excess enthalpies are reported for the binary system of (methanol + 2-methoxy-2,4,4-trimethylpentane) at (T = 298.15 K). The (liquid + liquid) equilibrium (LLE) for (water + 2-methoxy-2,4,4-trimethylpentane) from T = (283.15 to 318.15) K is determined. The LLE is also reported for the ternary system of (water + methanol + 2-methoxy-2,4,4-trimethylpentane) at T = (283.15 and 298.15) K. The UNIQUAC parameters were regressed to model VLE, excess enthalpy and LLE for the binary and ternary data with one set of parameters.     

Temperature and composition dependence of the density and viscosity of binary mixtures of (hyperbranched polymer,B-U3000 + 1-alcohol,or ether)

Density and viscosity were determined for binary mixtures of {hyperbranched polymer, a fatty acid modified dendritic polymer Boltorn U3000 (B-U3000) + 1-alcohol (1-butanol, 1-hexanol, and 1-octanol)} at T = (298.15, 308.15, 318.15, 328.15, and 338.15) K and of {B-U3000 + tert-butyl-methylether (MTBE)} at T = (298.15, 308.15, and 318.15) K and ambient pressure. The temperature dependence of density and viscosity for these systems can be described by linear regression and by the Vogel–Fucher–Tammann equation, respectively. Excess volumes were discussed in a function of mass fractions. Viscosity deviations were calculated and correlated by the Redlich–Kister polynomial expansions using also the mass fractions. The polynomial correlations describe the variation of viscosity with composition. A qualitative discussion on these quantities in terms of molecular interactions is reported.     

Thermodynamic properties of mixing for (1-alkanol + an-alkane + a cyclic alkane) atT = 298.15 K. I. (n-Hexane + cyclohexane + 1-butanol)

Experimental values of density, refractive index and speed of sound of (hexane  +  cyclohexane  +  1-butanol) were measured at T =  298.15 K and atmospheric pressure. From the experimental data, the corresponding derived properties (excess molar volumes, changes of refractive index on mixing and changes of isentropic compressibility) were computed. Such derived values were correlated using several polynomial equations. Several empirical methods were used in the calculation of the properties of ternary systems from binary data. The Nitta–Chao group contribution model was applied to predict excess molar volume for this mixture.     

Isothermal (vapour + liquid) equilibrium at several temperatures of (1-chlorobutane + 1-butanol,or 2-methyl-2-propanol)

Vapour pressures of (1-chlorobutane  +  1-butanol, or 2-methyl-2-propanol) at several temperatures between T =  278.15 and T =  323.15 K were measured by a static method. Reduction of the vapour pressures to obtain activity coefficients and excess molar Gibbs energies was carried out by fitting the vapour pressure data to the Redlich–Kister equation according to Barker’s method. For (1-chlorobutane  +  2-methyl-2-propanol) azeotropic mixtures with a minimum boiling temperature were observed over the whole temperature range.     

Energetic characterisation of the system (water + 1-propoxypropan-2-ol) at T = 298.15 K

Given the importance that enthalpic and entropic contributions have in the interplay between thermodynamics and self-assembly of aqueous amphiphile systems, the energetic characterisation of the system {water + 1-propoxypropan-2-ol (1-pp-2-ol)} at T = 298.15 K was made by directly measuring excess partial molar enthalpies of 1-pp-2-ol and water, over the entire composition range, at T = 298.15 K and atmospheric pressure. Derivatives of the partial molar properties with respect to the composition are used to improve the understanding of molecular interactions in the water-rich region. The present results were compared with those for the well-studied system {water + 2-butoxyethanol (nC₄E₁)}, the two amphiphiles being structural isomers.     

Measurements and modeling of LLE and HE for (methanol + 2,4,4-trimethyl-1-pentene), and LLE for (water + methanol + 2,4,4-trimethyl-1-pentene)

Excess enthalpy (H^E) for the binary system of (methanol + 2,4,4-trimethyl-1-pentene) (TMP-1) is reported at T = 298.15 K and 101 kPa. (Liquid + liquid) equilibrium (LLE) for the same system is measured at atmospheric pressure (101 kPa). LLE for ternary system of (water + methanol + 2,4,4-trimethyl-1-pentene) is measured at T = (283 and 298) K.The parameters of Non-Random Two-Liquid (NRTL) model were regressed for the system of (methanol + TMP-1) using H^E and LLE from this work combined with isobaric (101 kPa) and isothermal (T = 331 K) VLE data from literature. The NRTL parameters for the binary system of (water + TMP-1) were fitted to a binary LLE data set from literature. NRTL parameters for the binary system of (water + methanol) were taken from ASPEN PLUS. The LLE for the ternary system was modeled by the three binary NRTL interaction parameters systems. The binary and ternary models were compared against the measured data.     

(Liquid + liquid) equilibria of (tert -amyl ethyl ether + ethanol + water) at several temperatures

(Liquid  +  liquid) equilibrium data of (tert amyl ethyl ether  +  ethanol  +  water) were determined experimentally atT =  (298.15, 308.15, and 318.15) K. The experimental results were correlated with the NRTL and UNIQUAC equations. The correlations were made at each temperature and for the three temperatures simultaneously. The best results were achieved with the NRTL equation, using α =  0.2 for the individual correlations at each temperature and α =  0.1 for the overall correlation. The experimental data were also compared with predicted values by the UNIFAC method.     

(Liquid + liquid) equilibrium of (water + 2-propanol + 1-butanol + salt) systems at T = 313.15 K and T = 353.15 K: Experimental data and correlation

(Liquid + liquid) equilibrium data for the quaternary systems (water + 2-propanol + 1-butanol + potassium bromide) and (water + 2-propanol + 1-butanol + magnesium chloride) were measured at T = 313.15 K and T = 353.15 K. The overall salt concentrations were 5 and 10 mass percent. Ternary (liquid + liquid) equilibrium data for the salt-free system (water + 2-propanol + 1-butanol) were also determined and found to be in good agreement with data from the literature. The NRTL model for the activity coefficient was used to correlate the data. New interaction parameters were estimated, using the Simplex minimization method and a concentration-based objective function. The results are very satisfactory, with root mean square deviations between experimental and calculated compositions of both phases being less than 0.5%.     

On the density and viscosity of (water + dimethylsulphoxide) binary mixtures

Density and viscosity of (water + dimethylsulphoxide) were measured precisely over the whole composition range at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K. Differences between values from different authors are clarified and more reliable partial molar volumes are obtained.     

(Liquid + liquid) equilibria of (water + propionic acid + dipropyl ether or diisopropyl ether) at T = 298.2 K

(Liquid + liquid) equilibrium (LLE) data for (water + propionic acid + dipropyl ether) and (water + propionic acid + diisopropyl ether) were measured at T = 298.2 K and atmospheric pressure. The tie-line data were correlated by means of the UNIQUAC equation, and compared with results predicted by the UNIFAC method. A comparison of the extracting capabilities of the solvents was made with respect to distribution coefficients, separation factors, and solvent free selectivity bases.     

Phase transitions on (liquid + liquid) equilibria for (water + 1-methylnaphthalene + light aromatic hydrocarbon) ternary systems at T = (563, 573, and 583) K

Phase transitions for (water + 1-methylnaphthalene + light aromatic hydrocarbon) ternary systems are observed at their (liquid + liquid) equilibria at T = (563, 573, and 583) K and (8.6 to 25.0) MPa. The phase transition pressures at T = (563, 573, and 583) K were measured for the five species of light aromatic hydrocarbons, o-, m-, p-xylenes, ethylbenzene, and mesitylene. The measurements of the phase transition pressures were carried out by changing the feed mole fraction of water and 1-methylnaphthalene in water free, respectively. Effects of the feed mole fraction of water on the phase transition pressures are very small. Increasing the feed mole fraction of 1-methylnaphthalene results in decreasing the phase transition pressures at constant temperature. The slopes depending on the feed mole fraction for 1-methylnaphthalene at the phase transition pressures are decreased with increasing temperature for (water + 1-methylnaphthalene + p-xylene), (water + 1-methylnaphthalene + o-xylene), and (water + 1-methylnaphthalene + mesitylene) systems. For xylene isomers, the highest and lowest of the phase transition pressures are obtained in the case of p- and o-xylenes, respectively. The phase transition pressures for ethylbenzene are lower than those in the case of p-xylene. The similar phase transition pressures are given for p-xylene and mesitylene.     

(Vapour + liquid) equilibrium and excess Gibbs functions of ternary mixtures containing 1-butanol or 2-butanol,n-hexane,and 1-chlorobutane at T = 298.15 K

Isothermal (vapour + liquid) equilibrium data for the ternary mixtures 1-butanol + n-hexane + 1-chlorobutane and 2-butanol + n-hexane + 1-chlorobutane have been studied with a recirculating still at T = 298.15 K. The experimental data were satisfactorily checked for thermodynamic consistency using the method of van Ness. Activity coefficients and excess Gibbs function have been correlated with the Wilson equation. The G^E values obtained for the two ternary systems are very similar.     

(Liquid + liquid) equilibria of (heptane,or hexane,or cyclohexane + toluene + 1,3-dimethyl-2-imidazolidinone) ternary systems at T = 298.15 K

Experimental (liquid + liquid) equilibrium data for the mixtures of (heptane, or hexane, or cyclohexane + toluene + 1,3-dimethyl-2-imidazolidinone) were determined at T = 298.15 K and P = 101.3 kPa. The solubility (binodal) curves and tie-line end compositions are reported for the related mixtures and presented as complete phase diagrams. Distribution coefficients and separation factors were evaluated for the immiscibility region. The reliability of the experimental tie-line results was verified by using the Othmer–Tobias correlation. The experimental tie-line data were correlated by UNIQUAC model, which gave satisfactory representation for the systems. It was observed that the separation of toluene from cyclohexane is easier to achieve than from heptane and hexane.     

Effects of external electromagnetic field on binodal curve of (water + propionic acid + dichloromethane) ternary system

The effects of an external electromagnetic field on the binodal curve of the (water + propionic acid + dichloromethane) ternary system was investigated at 91.3 kPa and T = (294.15 and 284.15) K. The experimental binodal curve values for the ternary system were obtained by the cloud point method using a new setup with a flat capacitor. The effects of variation of frequencies and amplitude of voltages of the applied external electromagnetic field on the binodal curve results have been evaluated. The results obtained indicate that the heterogeneous two-phase area increases with increasing frequency of the applied external electromagnetic field. At constant frequency, a similar effect has been found by increasing the amplitude of the voltage of the applied external electromagnetic field. The comparison between the results obtained for this work with those reported in previous work indicates that the treatment efficiency in liquid–liquid extraction process of (water + propionic acid + dichloromethane) ternary system can be governed by the applied external electromagnetic field.