Theoretical and experimental study of physicochemical behavior of binary mixtures: SAFT and PC-SAFT models

Sarkoohaki, Bahman; Almasi, Mohammad; Karimkhani, Mehrnoosh

doi:10.1007/s12039-019-1630-9

Cited by 4 publications

(1 citation statement)

References 15 publications

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“…It has been for the purpose of enhancing the vision of the models and the molecular interactions, that in addition to the measurements of P , the experimental determination of ρ and heats of mixture were carried out. In fact, the corresponding thermodynamic properties,

, and

, are very sensitive to the spatial effects derived from molecular geometry and the detail of intermolecular forces, which complements information provided by other thermophysical quantities [ 35 , 58 , 59 ]. Furthermore, the present work is also a part of a comprehensive study conducted by our group using 1.8-cineole as cyclic ether and a short-chain alcohol as the second component [ 32 , 33 , 34 , 35 , 36 , 37 , 60 , 61 ].…”

Section: Introductionmentioning

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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