Density and viscosity of binary mixtures composed of anisole with dodecane, hexadecane, decalin, or 1,4-dioxane: experiments and modeling

Abstract

Anisole is an important lignin derivative used as an intermediate for obtaining high-value-added molecules through heterogeneous catalysis. Typical solvents used in the catalytic conversion of anisole, and other model molecules of the chemical platform of lignocellulosic biomass, are dodecane, hexadecane, decalin, and 1,4-dioxane. To understand the interactions of anisole with the different solvents and the transport properties of those mixtures, the density, viscosity, and miscibility of anisole + solvent systems are very important parameters for a first-step study of their behavior. This information is relevant for future studies on the separation of anisole from the biomass-processing platform. Then, the density and viscosity are measured for pure anisole and the four pure solvents, i.e., dodecane, hexadecane, decalin, and 1,4-dioxane, and the binary mixtures composed of anisole + solvent. The temperature range for all measurements is from 293.15 to 333.15 K at 101.3 kPa. Excess volumes are calculated from the density of mixtures, obtaining a positive deviation from ideality for all binary systems. The density of mixtures and excess volumes are modeled using the Peng–Robinson equation of state with the modified Huron–Vidal mixing rule using the nonrandom two-liquid model for calculating the excess Gibbs free energy. The viscosity of the mixtures is modeled with the same combination of the equation of state and mixing rule coupled to the friction theory viscosity model. The density of the mixtures is modeled with average absolute deviations ranging from 0.59 to 11.75%, excess volume from 0.8 to 35.4%, and viscosity of the mixtures from 0.1 to 13.2%.