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%.