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%.

Viscosity of Choline Chloride-Based Deep Eutectic Solvents: Experiments and Modeling

“…Although the manufacturer quotes the uncertainty of 1.2% in the measured viscosity, our analysis based on our previous measurements on a number of standard fluids 42,43 indicates that the uncertainty is nearer to 2%. Hence, for the viscosity of pure glycols measured in this work, we associate a relative uncertainty of 2%.…”

Solvent Selection for the Extraction of 2-Phenylethanol from Aqueous Phases: Density and Viscosity Studies

“…Then, dibutyl phthalate is more dense than 2-phenylethanol. Also, the ability to generate hydrogen bonds causes the higher density of the alcohol (2-metylbut-3-en-2-ol) over the ketones evaluated. ,, …”

“…Another important indicator in solvent selection is process indicators, usually obtained from process simulators such as Aspen Plus . However, including these separation processes in commercial simulators requires an initial knowledge of the thermodynamic, physicochemical, and transport properties of the mixtures . Then, the experimental validation of the predictions made by the models of the behavior of real multicomponent mixtures is the first stage when designing new separation processes .…”

Catalytic Hydrodeoxygenation of Lignin-Derived Oxygenates: Catalysis, Mechanism, and Effect of Process Conditions

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“…Thermal breakdown of lignin is one such strategy to produce bio-oil using fast pyrolysis. − Nonetheless, in contrast to conventional fuels, biomass pyrolysis oil (also known as bio-oil or pyrolytic oil), possesses high contents of oxygen (up to 40 wt %) and water (up to 25 wt %). Figure depicts the typical biomass pyrolysates derived from key biochemical components along with the typical mass fractions in bio-oil.…”