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چکیده
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ABSTRACT: Experimental data of densities, viscosities, and refractive indices of {(benzyl alcohol + methanol), ethanol, 1- propanol, 2-propanol, 1-butanol, and 2-butanol} binary mixtures were measured at T = 298.15 K and ambient pressure (81 500 Pa) using an oscillating densimeter, Ubbelohde capillary viscometer, and digital Abbe refractometer, respectively. Values of excess molar volumes, Vm E , of the binary mixtures in the liquid phase at T = 298.15 K have been derived from density measurements. The experimental data are used to calculate partial molar volumes, Vi, excess partial molar volumes, Vi E, excess partial molar volumes at infinite dilution, Vi E,∞, deviations in the viscosity, Δη, and deviations in the refractive index, ΔnD, excess refractive index, nD E , and kinematic viscosity, ν. The calculated quantities Vm E , Δη, ΔnD, and nD E have been correlated with the Redlich−Kister equation. The excess partial molar volumes, Vi E,∞, and enthalpies, Hi E,∞, at infinite dilution of the binary mixtures were computed by ab initio method at the M05-2X/6-311++G** level of theory using PCM theory in the liquid phase. The general agreement found between the computational and the experimental liquid-phase data gives confidence to calculate the excess partial molar volumes and enthalpies at infinite dilution.
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