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

• Published in: Fluid phase equilibria Vol. 558; p. 113444
• Main Authors: Mejía, Andrés, Cartes, Marcela, Velásquez, Alejandra, Chaparro, Gustavo, Sanhueza, Vilma
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.07.2022
• Subjects: FVT theory; Oxygenates for gasoline; SAFT VR MIE EoS; SGT theory; SAFT VR MIE EoS; SGT theory; Oxygenates for gasoline; FVT theory
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/j.fluid.2022.113444

•Measurement of vapor liquid equilibria, liquid density, liquid viscosity and surface tension for n-hexane + cyclopentyl methyl ether + 1-butanol mixture.•Theoretical predictions of n-hexane + cyclopentyl methyl ether + 1-butanol mixture based on SAFT VR MIE EoS coupled to the free volume theory and van der Waals square gradient theory. 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. [Display omitted]