Vapor-liquid phase equilibria, liquid densities, liquid viscosities and surface tensions for the ternary n-hexane plus cyclopentyl methyl ether+1-butanol mixture

Bulk, transport, and surface properties for the n-hexane cyclopentyl methyl ether + 1-butanol ternary mixture are measured and theoretically predicted. Specifically, the vapor-liquid phase equilibria (VLE) are explored at 94.00 kPa and over 342.8 K to 369.6 K, whereas the liquid densities, the liquid viscosities, and the surface tensions are described over the whole mole fraction range at 298.15 K and 101.3 kPa. The measured data are correlated with the liquid molar fractions using a second-order Redlich-Kister (RK) polynomial and predicted using a molecular-based approach. Specifically, VLE and densities are predicted from the SAFT-VR-Mie EoS. This EoS model is coupled with the free volume theory to calculate the liquid viscosities and the van der Waals interfacial theory to predict the selected surface properties. The parameters of the theoretical approaches only involve pure fluids and binary mixtures information. The experimental VLE data of this ternary mixture passed two thermodynamic consistency tests and exhibited positive deviation from ideal behavior or Raoult's law, where no ternary azeotropic state is detected at the experimental conditions. Liquid densities, liquid viscosities, and surface tensions negatively deviate from the corresponding linear trend, and no ternary stationary points are detected under the explored conditions. The RK polynomials well correlated the experimental information by only using binary contributions. vFrom the theoretical modeling, the used approach (SAFT-VR-Mie-EoS) predicts both dew and bubble points with low deviations without the need of ternary information. Liquid densities, liquid viscosities, and surface tension are reproduced with good agreements, showing deviations of 0.13%, 2.7%, and 4.4%, respectively. Finally, the used EoS coupled to vdW-SGT predicts surface adsorption only for n-hexane and 1-butanol. (C) 2022 Elsevier B.V. All rights reserved.

Automated summary

This study measures and theoretically predicts the bulk, transport, and surface properties of the n-hexane cyclopentyl methyl ether + 1-butanol ternary mixture. The experimental data are well correlated with the theoretical predictions, indicating good agreement between them.