(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) 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%.     

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.     

(Liquid + liquid) equilibrium of {water + phenol + (1-butanol,or 2-butanol,or tert-butanol)} systems

(Liquid + liquid) equilibrium (LLE) and binodal curve data were determined for the systems (water + phenol + tert-butanol) at T = 298.15 K, (water + phenol + 2-butanol) and (water + phenol + 1-butanol) at T = 298.15 K and T = 313.15 K by the combined techniques of densimetry and refractometry. Type I curve (for tert-butanol) and Type II curves (for 1- and 2-butanol) were found. The data were correlated with the NRTL model and the parameters estimated present root mean square deviations below 2% for the system with tert-butanol and lower than 0.8% for the other systems.     

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%.     

Excess molar volumes and partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and p = 0.1 MPa

The excess molar volumes and the partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and at atmospheric pressure are reported. The hydrogen bonding between the OH⋯NC groups are discussed in terms of the chain length of the alkanol. The alkanols studied are (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-pentanol).The excess molar volume data was fitted to the Redlich–Kister equation The partial molar volumes were calculated from the Redlich–Kister coefficients.     

Excess enthalpies of binary and ternary mixtures containing dibutyl ether (DBE), 1-butanol,and heptane at T = 298.15 K and 313.15 K

Experimental excess molar enthalpies of the ternary systems {dibutyl ether (DBE) + 1-butanol + heptane} and the corresponding binary systems at T = 298.15 K and T = 313.15 K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the binary and the ternary systems show endothermic character. The experimental data for the binary and ternary systems have been fitted using the Redlich–Kister equation, the NRTL and UNIQUAC models. The values of the standard deviation indicate good agreement between the experimental results and those calculated from the equations.     

Ternary equilibrium data of mixtures consisting of 2-butanol,water, and heavy alcohols at T = 298.2 K

Experimental solubility curves and tie-line data for the (water + 2-butanol + organic solvents) systems were obtained at T = 298.2 K and atmospheric pressure. The organic solvents were four heavy alcohols, i.e. 1-hexanol, 1-heptanol, 1-octanol, and 1-decanol. The consistency of the experimental tie-line data was determined through the Othmer–Tobias and Bachman equations. Distribution coefficients and separation factors were calculated to evaluate the extracting capability of the solvents. The experimental data were correlated using the NRTL (α = 0.2) and UNIQUAC models, and binary interaction parameters were obtained. The average root mean square deviation values between the experimental and calculated data show the capability of these models, in particular NRTL model, in correlation of the phase behavior of the ternary systems.     

Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K

In this work, we present the experimental measurements of excess molar enthalpies for the binary systems of dibutyl ether with different isomers of pentanol: 1-pentanol, 2-pentanol, 3-pentanol, 3-methyl-2-butanol, 2-methyl-1-butanol, 3-methyl-1-butanol and 2-methyl-2-butanol; all of them at T = (298.15 and 308.15) K and atmospheric pressure. Our goal was to determine the influence of the OH-group position on the different isomers of pentanol in the excess molar enthalpies of the binary systems studied. For this purpose we have analysed their experimental effective-reduced dipole moments. All values of excess molar enthalpies for the mixtures studied are positive whereas the results obtained for the effective-reduced dipole moments of the isomers of pentanol are similar.     

Phase equilibrium properties of binary and ternary systems containing di-isopropyl ether + 1-butanol + benzene at 313.15 K

(Vapour + liquid) equilibria data of (di-isopropyl ether + 1-butanol + benzene), (di-isopropyl ether + 1-butanol) and (1-butanol + benzene) have been measured at T = 313.15 K using an isothermal total pressure cell. Data reduction by Barker’s method provides correlations for the excess molar Gibbs energy using the Margules equation for the binary systems and the Wohl expansion for the ternary. The Wilson, NRTL and UNIQUAC models have been applied successfully to both the binary and the ternary systems reported here.     

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.     

Vapour pressures,osmotic and activity coefficients for binary mixtures containing (1-ethylpyridinium ethylsulfate + several alcohols) at T = 323.15 K

Osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1-ethylpyridinium ethylsulfate were determined at T = 323.15 K using the vapour pressure osmometry technique. From the experimental results, vapour pressure and activity coefficients can be determined. For the correlation of osmotic coefficients, the extended Pitzer model modified by Archer, and the modified NRTL (MNRTL) model were used, obtaining deviations lower than 0.017 and 0.047, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the binary mixtures studied were determined from the parameters obtained with the extended Pitzer model modified by Archer.     

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.     

Measurement and modeling of osmotic coefficients of binary mixtures (alcohol + 1,3-dimethylpyridinium methylsulfate) at T = 323.15 K

Measurement of osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1,3-dimethylpyridinium methylsulfate were performed at T = 323.15 K using the vapor pressure osmometry technique, and from experimental data, vapor pressure, and activity coefficients were determined. The extended Pitzer model modified by Archer, and the NRTL model modified by Jaretun and Aly (MNRTL) were used to correlate the experimental osmotic coefficients, obtaining standard deviations lower than 0.017 and 0.054, respectively. From the parameters obtained with the extended Pitzer model modified by Archer, the mean molal activity coefficients and the excess Gibbs free energy for the studied binary mixtures were calculated. The effect of the cation is studied comparing the experimental results with those obtained for the ionic liquid 1,3-dimethylimidazolium methylsulfate.     

(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.     

Activity coefficients of electrolyte and amino acid in the systems (water + potassium chloride + dl -valine) at T = 298.15 K and (water + sodium chloride + l -valine) at T = 308.15 K

The activity coefficient data were reported for (water  +  potassium chloride  + dl -valine) at T =  298.15 K and (water  +  sodium chloride  + l -valine) at T =  308.15 K. The measurements were performed in an electrochemical cell using ion-selective electrodes. The maximum concentrations of the electrolytes and the amino acids studied were 1.0 molality and 0.4 molality, respectively. The results of the activity coefficients of dl -valine are compared with the activity coefficients of dl -valine in (water  +  sodium chloride  + dl -valine) system obtained from the previous study. The results show that the presence of an electrolyte and the nature of its cation have a significant effect on the activity coefficient of dl -valine in aqueous electrolyte solutions.     

Measurement and correlation of solubility of trans-resveratrol in 11 solvents at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K

The solubilities of trans-resveratrol in methanol, ethanol, 1-propanol, 2- propanol, 1-butanol, 1-pentanol, 1-hexanol, ethyl acetate, tetrahydrofuran, acetone, and water (pH 6.0) solvents were measured at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K. The solubilities of trans-resveratrol in selected solvents increase with temperature, but decrease with increasing the number of carbon in alcohol solvents. The experimental data were correlated using a thermodynamic equation.     

(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.     

(Liquid + liquid) equilibria in ternary aqueous mixtures of phosphoric acid with organic solvents at T = 298.2 K

(Liquid + liquid) equilibrium (LLE) data for the ternary mixtures of {water (1) + phosphoric acid (2) + organic solvents (3)} were determined at T = 298.2 K and atmospheric pressure. The organic solvents were cyclohexane, 2-methyl-2-butanol (tert-amyl alcohol), and isobutyl acetate. All the investigated systems exhibit Type-1 behaviour of LLE. The immiscibility region was found to be larger for the (water + phosphoric acid + cyclohexane) ternary system. The experimental LLE results were correlated with the NRTL model, and the binary interaction parameters were obtained. The reliability of the experimental tie-line results was tested through the Othmer–Tobias and Bachman correlation equations. Distribution coefficients and separation factors were evaluated over the immiscibility regions and a comparison of the extracting capabilities of the solvents was made with respect to these factors. The experimental results indicate the superiority of cyclohexane as the preferred solvent for the extraction of phosphoric acid from its aqueous solutions.     

Excess molar volumes and viscosities of (1,1,2,2-tetrabromoethane + 1-alkanols) at T = (293.15 and 303.15) K

Density and viscosity measurements for binary mixtures of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-hexanol, or + 1-heptanol, or + 1-octanol, or + 1-decanol) at T = (293.15 and 303.15) K, have been conducted at atmospheric pressure. The excess molar volumes V^E, have been calculated from the experimental measurements, and the results were fitted to Redlich–Kister equation. The viscosity data were correlated with the model of Grunberg and Nissan, and McAllister four-body model. The excess molar volumes of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-haxanol, or + 1-heptanol, or + 1-octanol) had a sigmoidal shape and the values varied from negative to positive with the increase in the molar fraction of 1,1,2,2-tetrabromoethane. The remaining binary mixture of (1,1,2,2-tetrabromoethane + 1-decanol) was positive over the entire composition range. The effects of the 1-alkanol chain length as well as the temperature on the excess molar volume have been studied. The results have been qualitatively used to explain the molecular interaction between the components of these mixtures.