Isobaric Vapor–Liquid Equilibria for Binary Mixtures of Biomass-Derived γ-Valerolactone + Tetrahydrofuran and 2-Methyltetrahydrofuran

Abstract

2-Methyltetrahydrofuran (2-MeTHF) can be utilized as a renewable fuel additive, a component of P-fuel, and an alternative solvent for synthesis and catalysis. Tetrahydrofuran (THF) has also been proposed as a blend component and a surfactant additive. Since γ-valerolactone (GVL), which has been identified as a promising renewable platform molecule, can be converted to 2-MeTHF, it could be considered as biomass originated feedstock for its production. In this sense, the corresponding vapor–liquid equilibrium data of these γ-valerolactone containing mixtures is important to model related separation processes. The temperature-dependent vapor pressures of 2-MeTHF and THF were determined and correlated by three-parameter Antoine and Clark–Glew equations. The isobaric vapor–liquid equilibrium of 2-MeTHF and GVL was determined at atmospheric (p = 101.3 kPa) and reduced (p = 50.7 kPa) pressures. The vapor–liquid equilibrium of GVL and THF was measured at p = 101.3 kPa. The experimental data were correlated with Wilson, NRTL, and UNIQUAC activity coefficient models, and the results were compared with UNIFAC model calculations. The correlated models were found suitable for representing the VLE data.

Isobaric Vapor–Liquid Equilibria for Binary Mixtures of Gamma-Valerolactone + Toluene

“…A 0 = 2.847077, A 1 = −1.324751 × 10 −3 , A 2 = 1.060314 × 10 −6 , T 0 = 478.00 K, and p 0 = 99795 Pa. 18 yp…”

“…Equation was used to obtain the activity coefficients (γ i ). The vapor pressure data of GVL were calculated by the Cox-equation (eq ) with the parameters determined by Růžička and coworkers as follows: A 0 = 2.847077, A 1 = −1.324751 × 10 –3 , A 2 = 1.060314 × 10 –6 , T 0 = 478.00 K, and p 0 = 99795 Pa …”

“…Although data on some phase equilibria of GVL-containing mixtures, such as the vapor–liquid equilibrium (VLE) of GVL–H 2 O, GVL–alcohols (MeOH, EtOH, iPrOH), GVL–EtOAc, GVL–HCOOH, and GVL–furanes (THF and 2-MeTHF), which are commonly used as oxygenates in fuels, or liquid–liquid equilibrium data of GVL–hydrocarbons , and GVL– n -tetradecane systems, , are available, no VLE data have been reported for GVL and aromatic hydrocarbons.…”

1,4-Pentanediol: Vapor Pressure, Density, Viscosity, Refractive Index, and Its Isobaric Vapor–Liquid Equilibrium with 2-Methyltetrahydrofurane

“…The regression resulted in the Antoine constants as follows: A = 5.8942 ± 0.0604, B = 1210.9794 ± 34.0884, and C = −185.0325 ± 3.8818 with a Δ p % value of 0.23 and a root-mean-square deviation (RMSD, eq ) of 0.12. The Antoine constants of 2-MeTHF were calculated in our previous study where p 0 is the vapor pressure, N is the number of measured points, m is the number of estimated parameters, p i ,meas 0 is the measured vapor pressure, p i ,calc 0 is the calculated vapor pressure, and RMSD is the root-mean-square deviation corrected by the number of estimated parameters.…”

“…Thus, to design efficient distillation unit(s) for the separation, the determination of binary interaction parameters (BIPs) of 1,4-PDO and 2-MeTHF is highly desired. For some binary mixtures containing 2-MeTHF, there are available VLE data such as its mixture with aliphatic and aromatic hydrocarbons, ethanol, and GVL . It was observed that 2-MeTHF forms azeotrope with ethanol; therefore, the experimental investigation into its mixture with other alcohols, like diols, is highly important.…”