Excess thermodynamic functions

Rowlinson, J. S.

doi:10.1016/b978-0-408-24193-9.50009-6

Cited by 3 publications

(2 citation statements)

References 407 publications

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“…Experimental densities, dynamic viscosities, and refractive indices for the n -hexane/hexan-1-ol binary constituent (Table S2) and for the n -hexane/hexan-1-ol/MB ternary system (Table S3) at 298.15 K over the full composition range are reported as Supporting Information; the properties of the other two binary constituents were reported previously. 1a,b The extent to which liquid mixtures deviate from ideal behavior is best reflected by the derived thermodynamic excess functions instead of the raw experimental data . In this work, the excess molar volumes, , were calculated from the measured density data according to eq 2 Likewise, for the nonthermodynamic properties dynamic viscosity and refractive index, the so-called mixing properties were calculated for the mixing viscosity, Δ mix η , and mixing refractive index, Δ mix n D , defined according to eqs 3 and 4, respectively The excess and mixing properties of the binary systems are attributed to the different shapes and sizes of the components, to the reorientation of the molecules in the mixture, and to the molecular interactions; these are termed Y E in eq 5 and were correlated with composition using the Redlich−Kister polynomials 32 the coefficients being deduced by a least-squares procedure using the Marquardt algorithm, and the proper number of coefficients, r , being determined by a F -test.…”

Section: Resultsmentioning

confidence: 96%

Characterization and Preferential Solvation of the Hexane/Hexan-1-ol/Methylbenzoate Ternary Solvent

et al. 2005

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The thermophysical properties of the hexane/hexan-1-ol/methylbenzoate ternary system and its binary constituents were studied at 298.15 K over the whole composition range. The excess and mixing properties calculated from the experimental values combined with the mixture activity coefficients deduced from the UNIFAC group contribution method were used to calculate the integrals of the Kirkwood-Buff fluctuation theory for the ternary system and the binary constituents. Also the local composition and the excess or deficit number of molecules around a central molecule have been determined. The volumetric properties for the ternary system and its binary constituents were correlated and predicted successfully with several cubic equations of state combined with two simple mixing rules. The structural and intermolecular interactions of the mixtures were analyzed on the basis of the measured and derived properties.

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Section: Resultsmentioning

confidence: 96%

Characterization and Preferential Solvation of the Hexane/Hexan-1-ol/Methylbenzoate Ternary Solvent

et al. 2005

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“…The

values calculated at T = 298.15 K are shown as curves in Figure 7 , together with our

experimental data. The match can be considered satisfactory although considerable uncertainty is implied by the quantitative evaluation of

from vapor pressures [ 72 ]. In the same figure and for the same temperature,

curves, obtained from

, are also plotted.…”

Section: Resultsmentioning

confidence: 99%

Thermodynamic Behavior of (2-Propanol + 1,8-Cineole) Mixtures: Isothermal Vapor–Liquid Equilibria, Densities, Enthalpies of Mixing, and Modeling

Gimeno

Martı́nez

Mainar³

et al. 2023

IJMS

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Vapor pressures and other thermodynamic properties of liquids, such as density and enthalpy of mixtures, are the key parameters in chemical engineering for designing new process units, and are also essential for understanding the physical chemistry, macroscopic and molecular behavior of fluid systems. In this work, vapor pressures between 278.15 and 323.15 K, densities and enthalpies of mixtures between 288.15 and 318.15 K for the binary mixture (2-propanol + 1,8-cineole) have been measured. From the vapor pressure data, activity coefficients and excess Gibbs energies were calculated via the Barker’s method and the Wilson equation. Excess molar volumes and excess molar enthalpies were also obtained from the density and calorimetric measurements. Thermodynamic consistency test between excess molar Gibbs energies and excess molar enthalpies has been carried out using the Gibbs–Helmholtz equation. Robinson–Mathias, and Peng–Robinson–Stryjek–Vera together with volume translation of Peneloux equations of state (EoS) are considered, as well as the statistical associating fluid theory that offers a molecular vision quite suitable for systems having highly non-spherical or associated molecules. Of these three models, the first two fit the experimental vapor pressure results quite adequately; in contrast, only the last one approaches the volumetric behavior of the system. A brief comparison of the thermodynamic excess molar functions for binary mixtures of short-chain alcohol + 1,8-cineole (cyclic ether), or +di-n-propylether (lineal ether) is also included.

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Lower critical solution temperature and hydrophobic hydration in aqueous polymer solutions

Tager¹,

Сафронов²,

Berezyuk³

et al. 1994

Colloid Polym Sci

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Excess thermodynamic functions

Cited by 3 publications

References 407 publications

Characterization and Preferential Solvation of the Hexane/Hexan-1-ol/Methylbenzoate Ternary Solvent

Characterization and Preferential Solvation of the Hexane/Hexan-1-ol/Methylbenzoate Ternary Solvent

Thermodynamic Behavior of (2-Propanol + 1,8-Cineole) Mixtures: Isothermal Vapor–Liquid Equilibria, Densities, Enthalpies of Mixing, and Modeling

Lower critical solution temperature and hydrophobic hydration in aqueous polymer solutions

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