Physical properties of the binary systems methylcyclopentane with ketones (acetone, butanone and 2-pentanone) at T = (293.15, 298.15, and 303.15) K. New UNIFAC-VISCO interaction parameters

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Abstract

In this work, the physical properties, dynamic viscosities, densities, and speed of sound have been measured over the whole composition range and atmospheric pressure for the binary mixtures (methylcyclopentane with acetone, butanone, and 2-pentanone) at several temperatures T = (293.15, 298.15, and 303.15) K along with the properties of the pure components. Excess molar volumes, isentropic compressibility, deviations in isentropic compressibility and viscosity deviation for the binary systems at the above-mentioned temperatures were calculated and fitted to the Redlich–Kister equation to determine the fitting parameters and the root-mean-square deviations. The UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures. The interaction parameters of cycloalkanes with ketones (CHcy/CO) have been determined for their application in the predictive UNIFAC-VISCO method.

Introduction

The solution of many engineering problems concerning heat transfer, mass transfer, and fluid flow requires the knowledge of the viscosity of liquid mixtures and their dependence with composition and temperature. As an extension of our work concerning dynamic viscosity of binary systems [1], [2], [3], [4], in this paper we present measurements on the dynamic viscosity, density, and speed of sound data of the binary systems: {x1 methylcyclopentane + (1  x1) acetone}, {x1 methylcyclopentane + (1  x1) butanone}, and {x1 methylcyclopentane + (1  x1) 2-pentanone}, at T = (293.15, 298.15, and 303.15) K. Experimental data were used to calculate excess molar volumes, isentropic compressibility, deviations in isentropic compressibility and viscosity over the entire mole fraction range for the mixtures.

The UNIFAC-VISCO [5], [6] and ASOG-VISCO [7] methods have been applied to predict the viscosity of these systems and the results were compared with the experimental data. To improve the prediction of the UNIFAC-VISCO method, the interaction parameter CHcy/CO group proposed by Chevalier et al. [5], [6] has been recalculated using our experimental data. Viscosity data were correlated using the UNIQUAC [8] equation.

Section snippets

Experimental

The pure components were supplied by Fluka (methylcyclopentane and butanone) and Sigma–Aldrich (acetone and 2-pentanone). The components were degassed ultrasonically, and dried over molecular sieves Type 4Å, that were supplied by Aldrich, and kept in inert argon with a maximum content in water of 2 · 10−6 by mass fraction. Their mass fraction purities were >0.998 mass % for acetone, >0.995 mass % for butanone, and 2-pentanone and >0.950 mass % for methylcyclopentane. Samples were prepared by mass

Results and discussion

Dynamic viscosity, density, speed of sound, excess molar volume, isentropic compressibility (determined by means of the Laplace equation, ks = ρ−1u−2), and deviation in isentropic compressibility of the binary systems (methylcyclopentane with acetone, butanone, and 2-pentanone) at T = (293.15, 298.15, and 303.15) K and atmospheric pressure are reported in TABLE 2, TABLE 3, TABLE 4. The excess molar volumes, the deviations in isentropic compressibility and viscosity deviation were calculated by the

Correlation and prediction

UNIQUAC equation [8] was used for calculating the excess molar free energy of activation for flow, ΔGE (equation (6)), which it is related to the viscosity by:ln(νM)=ixiln(νiMi)+ΔGE/R·T.The correlation has been performed with experimental data using the UNIQUAC equation by minimizing the following objective function:O.F.=GcalcE/RT-GexpE/RTGexpE/RT,where GcalcE is the excess molar free energy calculated and GexpE is the excess molar free energy experimental. The fitting parameters (τ12, τ21

Conclusions

In this work, the dynamic viscosities, densities, and speed of sound of {x1 methylcyclopentane + (1  x1) acetone}, {x1 methylcyclopentane + (1  x1) butanone}, and {x1 methylcyclopentane + (1  x1) 2-pentanone}, at several temperatures T = (273.15, 298.15 and 303.15) K over the whole composition range have been determined.

Excess molar volumes, deviations in isentropic compressibility and viscosity were calculated and fitted to the Redlich–Kister equation to test the quality of the experimental values. The

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