Experimental and predicted excess molar volumes of the ternary system.

Summary Experimental excess molar volumes for the ternary system x₁MTBE+x₂1-propanol+(1-x₁-x₂) heptane and the three involved binary mixtures have been determined at 298.15 K and atmospheric pressure. Excess molar volumes were determined from the densities of the pure liquids and mixtures, using a DMA 4500 Anton Paar densimeter. The ternary mixture shows maximum values around the binary mixture MTBE+heptane and minimum values for the mixture MTBE+propanol. The ternary contribution to the excess molar volume is negative, with the exception of a range located around the rich compositions of 1-propanol. Several empirical equations predicting ternary mixture properties from experimental binary mixtures have been applied.     

Experimental excess molar volumes of the ternary mixture and comparisonwith several empirical methods

Experimental excess molar volumes for the ternary system {x₁MTBE+x₂1-propanol+(1–x₁–x₂)nonane} and the three involved binary mixtures have been determined at 298.15 K and atmospheric pressure. Excess molar volumes were determined from the densities of the pure liquids and mixtures, using a DMA 4500 Anton Paar densimeter. The ternary mixture shows maximum values around the binary mixture MTBE+nonane and minimum values for the mixture MTBE+propanol. The ternary contribution to the excess molar volume is negative, with the exception of a range located around the rich compositions of 1-propanol. Several empirical equations predicting ternary mixture properties from experimental binary mixtures have been applied.     

Determination of experimental excess molar properties for MTBE+1-propanol+octane

Summary Experimental excess molar enthalpies and densities have been measured for the ternary mixture x₁MTBE+x₂1-propanol+(1-x₁-x₂)octane and the involved binary mixtures at 298.15 K and atmospheric pressure. In addition, excess molar volumes were determined from the densities of the pure liquids and mixtures. A standard Calvet microcalorimeter was employed to determine the excess molar enthalpies. Densities were measured using a DMA 4500 Anton Paar densimeter. The UNIFAC group contribution model (in the versions of Larsen et al., and Gmehling et al.) has been used to estimate excess enthalpies values. Experimental data were also used to test several empirical expressions for estimating ternary properties from experimental binary results.     

Thermodynamic properties of the ternary system MTBE+1-propanol+hexane

Experimental excess molar enthalpies and excess molar volumes of the ternary system x₁MTBE+x₂1-propanol+(1-x₁-x₂) hexane and the involved binary mixtures have been determined at 298.15 K and atmospheric pressure. Excess molar enthalpies were measured using a standard Calvet microcalorimeter, and excess molar volumes were determined from the densities of the pure liquids and mixtures, using a DMA 4500 Anton Paar densimeter. The UNIFAC group contribution model (in the versions of Larsen et al., and Gmehling et al.) has been employed to estimate excess enthalpies values. Several empirical expressions for estimating ternary properties from experimental binary results were applied.     

Excess molar enthalpies of the ternary system mtbe+ethanol+hexane

Excess molar enthalpies of the ternary mixture {x₁ tert-butyl methyl ether (MTBE)+x₂ ethanol+(1–x₁–x₂) hexane} and, the involved binary mixtures {x tert-butyl methyl ether (MTBE)+(1–x) ethanol}, {x tert-butyl methyl ether (MTBE)+(1–x) hexane} and {x ethanol+( 1–x) hexane} have been measured at 298.15 K and atmospheric pressure, over the whole composition range, using a Calvet microcalorimeter. The results were fitted by means of different variable degree polynomials.     

Measurements and analysis of excess molar volumes for the ternary mixture MTBE + 1-pentanol + decane

Summary Densities at 298.15 K and atmospheric pressure have been measured, using a DMA 4500 Anton Paar densimeter, for the ternary mixture methyl tert-butyl ether (MTBE)+1-pentanol+decane and for the involved binary mixtures MTBE+1-pentanol and 1-pentanol+decane. The excess molar volumes for the binary mixture MTBE+decane was reported in an earlier work [1]. In addition, excess molar volumes were determined from the densities of the pure liquids and mixtures. Suitable fitting equations have been used in order to correlate adequately the excess molar volumes. The empirical expressions of Kohler [18], Jacob and Fitzner [19], Colinet [20], Knobeloch and Schwartz [21], Tsao and Smith [22], Toop [23], Scatchard et al. [24], Hillert [25], Mathieson and Thynne [26] were applied to estimate ternary properties from binary results.     

Excess molar enthalpies of the ternary system <Emphasis Type="Italic">p</Emphasis>-xylene+decane+diethyl carbonate

Excess molar enthalpies of the ternary system {x ₁ p-xylene+x ₂decane+(1–x ₁–x ₂)diethyl carbonate} and the involved binary mixtures {p-xylene+(1–x)decane}, {xp-xylene+(1–x)diethyl carbonate} and {xdecane+(1–x)diethyl carbonate} have been determined at the temperature of 298.15 K and atmospheric pressure, over the whole composition range, using a Calvet microcalorimeter. The experimental excess molar enthalpies H _m ^E are positive for all the binary systems studied over the whole composition range. Excess molar enthalpy for the ternary system is positive as well, showing maximum values at x ₁=0, x ₂=0.4920, x ₃=0.5080, H _m,123 ^E=1524 J mol^–1.     

Excess molar enthalpies of the ternary system MTBE+ethanol+octane

Excess molar enthalpies of the ternary mixture {x ₁ tert-butyl methyl ether (MTBE)+x ₂ ethanol+(1–x ₁–x ₂) octane} and the involved binary mixture {x ethanol+(1–x) octane} have been measured at 298.15 K and atmospheric pressure, over the whole composition range, using a Calvet microcalorimeter. The results were fitted by means of different variable degree polynomials.     

Ternary mixture MTBE+1-pentanol+nonane at 298.15 K and atmospheric pressure

Densities at 298.15 K and atmospheric pressure have been measured, using a DMA 4500 Anton Paar densimeter, for the ternary mixture methyl tert-butyl ether (MTBE)+1-pentanol+nonane and for the involved binary mixture 1-pentanol+nonane. In addition, excess molar volumes were determined from the densities of the pure liquids and mixtures. Suitable fitting equations have been used in order to correlate adequately the excess molar volumes. Experimental data were also used to test several empirical expressions for estimating ternary properties from experimental binary results.     

Determination of excess molar enthalpies for the ternary system <Emphasis Type="Italic">p</Emphasis>-xylene+octane+diethyl carbonate

Excess molar enthalpies, H ^E, for the binary mixtures {p-xylene+(1–x) octane}, {x p-xylene+(1–x) diethyl carbonate}, {x octane+(1–x) diethyl carbonate} and the corresponding ternary system {x ₁ p-xylene+x ₂ octane+(1–x ₁–x ₂) diethyl carbonate} have been measured by using a Calvet microcalorimeter at 298.15 K under atmospheric pressure. The experimental H ^E values are all positive for the binary and ternary mixtures over the entire composition range.     

Excess molar enthalpies of binary mixtures for (tributyl phosphate+methanol/ethanol) at 298.15 K

Excess molar enthalpies of binary mixtures for tributyl phosphate (TBP)+methanol/ethanol were measured with a TAM air Isothermal calorimeter at 298.15 K and ambient. The results for xTBP+(1–x)CH₃OH are negative in the whole range of composition, while the values for xTBP+(1–x)C₂H₅OH change from positive values at low x to small negative values at high x. The experimental results have been correlated with the Redlich–Kister polynomial. IR spectra of the mixtures were measured to investigate the effect of hydrogen bonding in the mixture.     

Excess molar volumes for ternary mixture (N,N-dimethylformamide+1-propanol+water) at the temperature 298.15 K

The results of excess molar volumes for ternary mixture N,N-dimethylformamide (DMF)+1-propanol+water and for binary constituents, DMF+water, DMF+1-propanol and 1-propanol+water at 298.15 K are reported. Several empirical expressions were used to predict and correlate the ternary excess molar volumes from experimental results on the constituent binaries. A pseudo-binary mixture approach (PBMA) was used to analyze the system studied. The partial molar volumes of 1-propanol at infinite dilution in [f_mDMF+(1−f_m)water] mixed solvents at their several fixed composition f_m were evaluated and correlated with the composition f_m.     

Study on the effect of increasing the chain length of the alkanol in excess molar enthalpies of mixtures containing 2-methoxy-2-methylpropane, 1-alkanol,decane

Excess molar enthalpies for the ternary system {x₁ 2-methoxy-2-methylpropane + x₂ ethanol + (1 − x₁ − x₂) decane} and the involved binary mixture {x ethanol + (1 − x) decane} have been measured at the temperature of 298.15 K and atmospheric pressure, over the whole composition range. No experimental excess enthalpy values were found in the currently available literature for the ternary mixture under study. The results were fitted by means of different variable-degree polynomials. Smooth representations of the results are presented and used to construct constant excess molar enthalpy contours on Roozeboom diagrams. The excess molar enthalpies for the binary and ternary system are positive over the whole range of composition. The binary mixture {x ethanol + (1 − x) decane} is asymmetric, with its maximum displace toward a high mole fraction of decane. The ternary contribution is also positive, and the representation is asymmetric.     

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.     

Excess thermodynamic parameters of binary mixtures of methanol,ethanol, 1-propanol,and 2-butanol + chloroform at (288.15–323.15 K) and comparison with the Flory theory

In this work we used the experimental result for calculating the thermal expansion coefficients α, and their excess values α ^E , and isothermal coefficient of pressure excess molar enthalpy and comparison the obtain results with Flory theory of liquid mixtures for the binary mixtures {methanol, ethanol, 1-propanol and 2-butanol-chloroform} at 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15 K. The excess thermal expansion coefficients α ^E and the isothermal coefficient of pressure excess molar enthalpy ((∂H _m^E/∂P) _T,x for binary mixtures of {methanol and ethanol + chloroform} are S-shaped and for binary mixtures of {1-propanol and 2-butanol + chloroform} are positive over the mole fraction. The isothermal coefficient of pressure excess molar enthalpy (∂H _m^E/∂P) _T,x , are negative over the mole fraction range for binary mixture of {1-propanol and 2-butanol + chloroform}. The calculated values by using the Flory theory of liquid mixtures show a good agreement between the theory and experimental.     

Densities,speeds of sound and refractive indices for binary and ternary mixtures of {diethylcarbonate (1) + p-chloroacetophenone (2) + 1-hexanol (3)} at 303.15 K for the liquid region and at ambient pressure

Densities (ρ), speeds of sound (u) and refractive indices (n_D ), of the ternary mixture (diethylcarbonate + p-chloroacetophenone + 1-hexanol) and the involved binary mixtures (diethylcarbonate + p-chloroacetophenone, diethylcarbonate + 1-hexanol, and p-chloroacetophenone + 1-hexanol) have been measured over the whole composition range at 303.15 K for the liquid region and at ambient pressure. The data obtained are used to calculate isentropic compressibilities k_s , isentropic compressibility deviations Δk_s and refractive index deviations Δn_D , of the binary and ternary mixtures. The data of isentropic compressibility deviations and refractive index deviations of the binary systems were fitted to the Redlich–Kister equation while the best correlation method for the ternary system was found using the Cibulka equation. The experimental data of the constitute binaries and ternaries are analysed to discuss the nature and strength of intermolecular interactions in these mixtures.     

Contribution to study of the thermodynamics properties of mixtures containing 2-methoxy-2-methylpropane,alkanol, alkane

Excess molar enthalpies for the ternary system {x₁ 2-methoxy-2-methylpropane (MTBE) + x₂ 1-pentanol + (1 − x₁ − x₂) hexane} and the involved binary mixture {x 1-pentanol + (1 − x) hexane}, have been measured at T = 298.15 K and atmospheric pressure over the whole composition range. We are not aware of the existence of previous experimental measurement of the excess enthalpy for the ternary mixture under study in the literature currently available. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The results were fitted by means of different variable degree polynomials. The ternary contribution to the excess enthalpy was correlated with the equation due to Verdes et al. (2004), and the equation proposed by Myers–Scott (1963) was used to fit the experimental binary mixture measured in this work. Smooth representations of the results are presented and used to construct constant excess molar enthalpy contours on Roozeboom diagrams. The excess molar enthalpies for the binary and ternary system are positive over the whole range of composition. The binary mixture {x 1-pentanol + (1 − x) hexane} is asymmetric, with its maximum displace toward a high mole fraction of decane. The ternary contribution is also positive with the exception of a range located around the rich compositions of 1-pentanol, and the representation is asymmetric.Additionally, the group contribution model of the UNIFAC model, in the versions of Larsen et al. (1987) [18] and Gmehling et al. (1993) [19] was used to estimate values of binary and ternary excess enthalpy. The experimental results were used to test the predictive capability of several empirical expressions for estimating ternary properties from binary results.     

Phase behavior of binary mixtures of water,carbon dioxide and decane predicted with a lattice-gas model

The Kleintjens—Koningsveld lattice-gas model is used to predict the phase behavior of pure CO₂, water and decane, and of binary mixtures of CO₂ with water and decane. The model, with parameters fitted to experimental data, predicts very accurate vapor pressures and liquid—vapor coexistence densities for the pure fluids. For the binary mixtures, the model correctly predicts the qualitative patterns of phase behavior using two temperature-dependent mixture parameters fitted to simple polynomials over a small range of temperature. For quantitative predictions over wide temperature ranges, however, the temperature dependence of the mixture parameters must be fitted carefully over the same ranges of temperatures. The performance of the Kleintjens—Koningsveld model is compared to that of the Peng—Robinson model.     

Excess Isentropic Compressibilities for 1,3-Dioxolane or 1,4-Dioxane <Emphasis Type="Italic">+</Emphasis> Water <Emphasis Type="Italic">+</Emphasis> Formamide or N,N-Dimethylformamide Ternary Mixtures at 308.15 K

Speeds of sound, u_ijk, of 1,3-dioxolane or 1,4-dioxane (i) + water (j) + formamide or dimethylformamide (k) ternary mixtures and of their binary subsystems, u_ij, of 1,3-dioxolane or 1,4-dioxane (i) + formamide or dimethylformamide (j), and water (i) + formamide or dimethylformamide (j) have been measured over the entire composition range at 308.15 K. The experimental data have been used to evaluate the excess isentropic compressibilities of binary (κ_s^E)_ij and ternary (κ_s^E)_ijk mixtures using their densities calculated from molar excess volume data. The Moelwyn-Huggins concept [M. L. Huggins, Polymer 12, 389 (1971)] of interaction between the surfaces of components of a binary mixture has been employed to evaluate the excess isentropic compressibilities (using the concept of connectivity parameter of third degree of a molecule, ³ξ, which in turn depends on its topology) of binary mixtures, and this method has been extended to predict excess compressibilities of ternary mixtures. Values of (κ_s^E)_ij and (κ_s^E)_ijk have also been calculated by the Flory theory. It was observed that (κ_s^E)_ij and (κ_s^E)_ijk predicted by the Moelwyn-Huggins approach compare well with calculated and experimental values.     

Effect of Temperature on Thermophysical Properties of Ethanol + Aliphatic Alcohols (C4–C5) Mixtures

Speeds of sound, densities, and refractive indices of the binary mixtures containing ethanol+(2-methyl-1-propanol, 2-methyl-1-butanol, 1-pentanol, or 3-methyl-1-butanol) were measured at 288.15 ≤ T/K ≤ 323.15 and atmospheric condition in the whole compositional range. The effect of temperature was analyzed by several chemical terms.