Vapor–liquid equilibria for binary and ternary mixtures of ethanol, 2-butanone,and 2,2,4-trimethylpentane at 101.3 kPa

Vapor–liquid equilibrium (VLE) at 101.3 kPa have been determined for the ternary system ethanol + 2-butanone + 2,2,4-trimethylpentane (isooctane) and its constituent binary systems: ethanol + 2,2,4-trimethylpentane, ethanol + 2-butanone, and 2-butanone + 2,2,4-trimethylpentane. Minimum boiling azeotropes were observed for all these binary systems. No azeotropic behavior was found for the ternary system. Thermodynamic consistency tests were performed for all VLE data. The activity coefficients of the binary mixtures were satisfactorily correlated with the Wilson, NRTL, and UNIQUAC models. The models with their best-fitted binary parameters were used to predict the ternary vapor–liquid equilibrium.     

Isobaric vapor–liquid equilibria for mixtures of acetone,ethanol, and 2,2,4-trimethylpentane at 101.3 kPa

Isobaric vapor–liquid equilibrium (VLE) data were determined at the pressure of 101.3 kPa for binary and ternary systems composed of acetone, ethanol, and 2,2,4-trimethylpentane (isooctane). Minimum boiling azeotropes were found in the acetone + 2,2,4-trimethylpentane and ethanol + 2,2,4-trimethylpentane systems. Azeotropic behavior was not found for the ternary system. Thermodynamic consistency tests were performed for all VLE data. The activity coefficients of the binary mixtures were satisfactorily correlated as function of the mole fraction using the Wilson, NRTL, and UNIQUAC models. The models with their best-fitted parameters were used to predict the ternary vapor–liquid equilibrium. The Wilson model appears to yield the best prediction in boiling temperatures.     

Isothermal vapour–liquid equilibria in the ternary system tert-butyl methyl ether + tert-butanol + 2,2,4-trimethylpentane and the three binary subsystems

Vapour–liquid equilibrium data are reported for the ternary tert-butyl methyl ether+tert-butanol+2,2,4-trimethylpentane and the three binary tert-butyl methyl ether+tert-butanol, tert-butyl methyl ether+2,2,4-trimethylpentane, tert-butanol+2,2,4-trimethylpentane subsystems. The data were measured isothermally at 318.13, 328.20, and 339.28 K covering pressure range 15–100 kPa. Azeotropic data are presented for the tert-butanol+2,2,4-trimethylpentane system. Molar excess volumes at 298.15 K are given for the three binary systems. The binary vapour–liquid equilibrium data were correlated using Wilson, NRTL, and Redlich–Kister equations; the parameters obtained were used for calculation of phase behaviour in ternary system and for subsequent comparison with experimental data.     

Isothermal vapor–liquid equilibrium at 303.15 K and excess molar volumes at 298.15 K for the ternary system of propyl vinyl ether + 1-propanol + 2,2,4-trimethyl-pentane and its binary sub-systems

Isothermal vapor–liquid equilibrium data determined by the static method at 303.15 K are reported for the binary systems propyl vinyl ether + 1-propanol, 1-propanol + 2,2,4-trimethylpentane and propyl vinyl ether + 2,2,4-trimethylpentane and also for the ternary system propyl vinyl ether + 1-propanol + 2,2,4-trimethyl-pentane. Additionally, new excess volume data are reported for the same systems at 298.15 K. The experimental binary and ternary vapor–liquid equilibrium data were correlated with different G^E models and excess molar volume data were correlated with the Redlich–Kister equation for the binary systems and the Cibulka equation for the ternary system, respectively.     

Isothermal vapor–liquid equilibrium at 333.15 K and excess molar volumes and refractive indices at 298.15 K for the mixtures of di-methyl carbonate,ethanol and 2,2,4-trimethylpentane

Isothermal vapor–liquid equilibrium data at 333.15 K are measured for the binary system ethanol + 2,2,4-trimethylpentane and for ternary system di-methyl carbonate (DMC) + ethanol + 2,2,4-trimethylpentane by using headspace gas chromatography. The experimental binary and ternary vapor–liquid equilibrium data were correlated with different activity coefficient models. Excess volume and deviations in molar refractivity data are also reported for the binary systems DMC + ethanol and DMC + 2,2,4-trimethylpentane and the ternary system DMC + ethanol + 2,2,4-trimethylpentane at 298.15 K. These data were correlated with the Redlich-Kister equation for the binary systems and the Cibulka equation for the ternary system, respectively. The ternary excess volume and deviations in molar refractivity data were also compared with estimated values from the binary contribution models of Tsao–Smith, Kohler, Rastogi and Radojkovi?.     

Excess Enthalpies of (2,2,4-Trimethylpentane or Cyclohexane) + Methyl tert-Butyl Ether + tert-Amyl Methyl Ether at 25°C

Microcalormetric measurements of excess molar enthalpies at 25°C are reported for two ternary mixtures 2,2,4-trimethylpentane + methyltert-butyl ether +tert-amyl methyl ether and cyclohexane + methyltert-butyl ether +tert-amyl methyl ether. Smooth representations of the results are presented and used to construct constant-enthalpy contours on Roozeboom diagrams. Comparisons of the experimental results with estimates based on the Flory theory of mixtures are also described.     

Phase Equilibria in the Ternary System Methyl 1,1-Dimethylethyl Ether + Benzene + Toluene

Abstract

Consistent vapor-liquid equilibrium data at 94kPa have been determined for the ternary system methyl 1,1-dimethylethyl ether (MTBE) + benzene + toluene. The results indicate that the system deviates positively from ideality and that no azeotrope is present. The ternary activity coefficients of the system have been correlated with the composition using the Redlich-Kister, Wilson, NRTL, UNIQUAC, and UNIFAC, models. It is shown that most of the models allow a very good prediction of the phase equilibrium of the ternary system using the pertinent parameters of the binary systems. In addition, the Wisniak-Tamir relations were used for correlating bubble-point temperatures.     

Excess Enthalpies of 2-Methyltetrahydrofuran + (2,2,4-Trimethylpentane or n-Heptane) + Methylcyclohexane at 25°C

Measurements of excess molar enthalpies at 25°C in a flow microcalorimeter, are reported for the two ternary mixtures 2-methyltetrahydrofuran + 2, 2, 4-trimethylpentane + methylcyclohexane and 2-methyltetrahydrofuran + n-heptane + methylcyclohexane. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann–Fried model using only the physical properties of the components and their binary mixtures.     

Characterization and modelling of a gasoline containing 1,1-dimethylethyl methyl ether (MTBE), diisopropyl ether (DIPE) or 1,1-dimethylpropyl methyl ether (TAME) as fuel oxygenate based on new isothermal binary vapour–liquid data

Experimental isothermal P–x data at T=313.15 K for seven binary systems (1,1-dimethylethyl methyl ether (MTBE)+2,2,4-trimethylpentane); (1,1-dimethylethyl methyl ether (MTBE)+toluene); (toluene+2,2,4-trimethylpentane); (toluene+1-hexene); (toluene+cyclohexane); (2,2,4-trimethylpentane+1-hexene) and (2,2,4-trimethylpentane+cyclohexane) are reported. Data reduction by Barker’s method provides correlations for G^E using the Margules equation, Wilson, NRTL and UNIQUAC models, which have been applied successfully. We have compared the behaviour in the vapour–liquid equilibrium of the aromatic compounds benzene and toluene and the paraffins heptane and 2,2,4-trimethylpentane. And finally we have modelled a gasoline of five components using the Wilson model, and we have compared the influence of three different ethers used as oxygenated additives in gasolines.     

Vapour—liquid equilibrium of the systems 1-propanol—2,2,4-trimethylpentane and 2-propanol-n-hexane

The vapour—liquid equilibrium data were measured for the binary systems 2-propanol—n-hexane at 328.21 K and 1-propanol—2,2,4-trimethylpentane at 328.37 K and 348.52 K by using the recirculation still proposed by Berro et al. (1975). The excess volumes for these systems were measured with an Anton Paar densimeter. The reduction of VLE data and analysis of experimental errors were performed. The NRTL temperature-dependence parameters were estimated. The measured VLE data and the activity coefficients were compared with the values predicted by the chemical-reticular group-contribution method (CRG) (Neau and Péneloux, 1979). For both systems satisfactory agreement was found. This proves that the CRG model can be used to predict the vapour—liquid equilibria of alcohol—alkane systems containing branched components.     

Densities and Viscosities of the Ternary Mixture (Benzene + 1-Propanol + Ethyl Acetate) at 298.15 K

Abstract

Densities and viscosities of the ternary mixture (benzene + 1-propanol + ethyl acetate) and the corresponding binary mixtures (benzene + 1-propanol, benzene + ethyl acetate and 1-propanol + ethyl acetate) have been measured at the temperature 298.15 K. From these measurements excess volumes, V^E , excess viscosities, η^E, and excess Gibbs energies of activation for viscous flow, G*^E , have been determined. The equation of Redlich-Kister has been used for fitting the excess properties of binary mixtures. The excess properties of the ternary system were fitted to Cibulka's equation.     

Use of Physical Properties for Compositional Analysis of Ternary Mixtures. Application to Mixtures of 2-Methoxy-2-methylbutane, Methanol, and 2,2,4-Trimethylpentane or Methylcyclohexane

Two ternary systems comprising gasoline components were characterized by determining their refractive indexes, densities, sound transmission speeds, and isentropic compressibilities at 25°C and 1 atm pressure. These data were then correlated with composition using a polynomial. Single measurements of the refractive index and density of fully miscible mixtures of the system 2-methoxy-2-methylbutane (TAME) + methanol + 2,2,4-trimethylpentane allowed estimation of its composition with precision better than ±0.002 mole fraction. However, it was shown that this approach to compositional analysis of homogeneous mixtures of TAME + methanol + methylcyclohexane would not give reliable results.     

Isothermal vapor–liquid equilibrium at 333.15 K,excess molar volumes and refractive indices at 298.15 K for mixtures of tert-amyl methyl ether + ethanol + 2,2,4-trimethylpentane

Isothermal vapor–liquid equilibrium data at 333.15 K are measured for the binary system tert-amyl methyl ether + ethanol and tert-amyl methyl ether + 2,2,4-trimethylpentane and for ternary system tert-amyl methyl ether + ethanol + 2,2,4-trimethylpentane by using headspace gas chromatography. The experimental vapor–liquid equilibrium data were correlated with G^E models (Margules, van Laar, Wilson, NRTL, UNIQUAC) equations. The excess volume and deviations in molar refractivity data are also reported for the same binary and ternary systems at 298.15 K. These data were correlated with the Redlich–Kister equation for the binary systems and the Cibulka equation for the ternary system, respectively. The experimental ternary excess volume and deviations in molar refractivity data, were also compared with the estimated values from the binary contribution models of Tsao–Smith, Kohler, Rastogi and Radojkovi?.     

Densities,viscosities, refractive indices,and surface tensions for binary and ternary mixtures of 2-propanol,tetrahydropyran, and 2,2,4-trimethylpentane

Densities, viscosities, refractive indices, and surface tensions of the ternary system (2-propanol + tetrahydropyran + 2,2,4-trimethylpentane) at T = 303.15 K and its constituent binary systems (2-propanol + tetrahydropyran, 2-propanol + 2,2,4-trimethylpentane, and tetrahydropyran + 2,2,4-trimethylpentane) at T = (293.15, 303.15, 313.15, and 323.15) K were measured at atmospheric pressure. Densities were determined using a vibrating-tube densimeter. Viscosities were measured with an automatic microviscometer based on the rolling-ball principle. Refractive indexes were measured using a digital Abbe-type refractometer. Surface tensions were determined by the Wilhelmy-plate method. From these data, excess molar volumes, deviations in viscosity, deviations in refractive index, and deviations in surface tension were calculated. The results for the binary and ternary systems were fitted to the Redlich–Kister equation and the variable-degree polynomials in terms of compositions, respectively. The experimental and calculated quantities are used to study the nature of mixing behaviour between mixture components.     

Excess Enthalpies of 2-Methyltetrahydrofuran + 2,2,4-Trimethylpentane + (Decane or Dodecane) at 25°C

Measurements of excess molar enthalpies at 25°C in a flow microcalorimeter, are reported for the two ternary mixtures 2-methyltetrahydrofuran + 2,2,4-trimethylpentane + n-decane and 2-methyltetrahydrofuran + 2,2,4-trimethylpentane + n-dodecane. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann–Fried model using only the physical properties of the components and their binary mixtures.     

Phase equilibrium for the systems diisopropyl ether,isopropyl alcohol + 2,2,4-trimethylpentane and +n-heptane at 101.3 kPa

Consistent vapour–liquid equilibrium data for the ternary systems diisopropyl ether + isopropyl alcohol + 2,2,4-trimethylpentane and diisopropyl ether + isopropyl alcohol + n-heptane are reported at 101.3 kPa. The vapour–liquid equilibrium data have been correlated by Wilson, NRTL and UNIQUAC equations. The ternary systems do not present ternary azeotropes.     

Isothermal (vapour + liquid) equilibria in the binary and ternary systems composed of 2-propanol, 2,2,4-trimethylpentane,and 2,4-dimethyl-3-pentanone

(Vapour + liquid) equilibrium data in the three binary (2-propanol + 2,2,4-trimethylpentane), (2-propanol + 2,4-dimethyl-3-pentanone), (2,2,4-trimethylpentane + 2,4-dimethyl-3-pentanone) systems, and in the ternary (2-propanol + 2,2,4-trimethylpentane + 2,4-dimethyl-3-pentanone) system are reported. The data were measured isothermally at (330.00 and 340.00) K covering the pressure range (8 to 70) kPa. The binary (vapour + liquid) equilibrium data were correlated using the Wilson and NRTL equations by means of a robust algorithm for processing all isotherms together; resulting parameters were then used for calculation of phase behaviour in the ternary system and for subsequent comparison with experimental data. Azeotropic behaviour of the (2-propanol + 2,2,4-trimethylpentane) system was evaluated together with all available published data.     

Excess Enthalpies of Ethyl tert-Butylether + 2,2,4-Trimethylpentane + Decane or Dodecane at 25°C

Measurements of excess molar enthalpies at 25°C in a flow microcalorimeter, are reported for the two ternary mixtures ethyl tert-butylether + 2,2,4-trimethylpentane + n-decane and ethyl tert-butylether + 2,2,4-trimethylpentane + n-dodecane. Smooth representations of the results are described and used to construct constant-enthalpy contours on Roozeboom diagrams. It is shown that useful estimates of the ternary enthalpies can be obtained from the Liebermann–Fried model using only the physical properties of the components and their binary mixtures.     

Liquid-liquid Equilibria of ([C2mim][EtSO4] + Thiophene + 2,2,4-Trimethylpentane) and ([C2mim][EtSO4] + Thiophene + Toluene): Experimental Data and Correlation

Liquid + liquid equilibrium data for (1-ethyl-3-methyl imidazolium ethyl sulfate + thiophene + 2,2,4-trimethylpentane) and (1-ethyl-3-methyl imidazolium ethyl sulfate + thiophene + toluene) have been determined at 298.15 K and atmospheric pressure. The ionic liquid has a great capacity to dissolve not only thiophene but also the toluene, being practically immiscible with 2,2,4-trimethylpentane. Equilibrium data of systems with toluene have been fairly well correlated with the NRTL and UNIQUAC equations but for the system with 2,2,4-trimethylpentane high deviations have been found with both equations.     

Solubility of trans-Stilbene in Binary Alkane + 2-Propanol Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for trans-stilbene dissolved in six binary alkane + 2-propanol solvent mixtures at 25[ddot]C. The alkane cosolvents studied were hexane, heptane, octane, cyclohexane, methylcyclohexane and 2,2,4-trimethylpentane. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. For the six systems studied, both equations provided an accurate mathematical representation of the experimental data, with overall average absolute deviations between measured and calculated values being approximately ± 0.5%.