EstimationofVapor-LiquidEquilibriumData,RelativeVolatility,ExcessProperties,andThermodynamicModelingforγ-Valerolactone(GVL)andLevulinicAcid(LA)BinarySystem
نویسندگان
doi
10.22036/pcr.2026.567510.2807چکیده
γ-valerolactone (GVL) is a versatile green solvent produced from biomass-derived levulinic acid (LA), yielding a mixture of GVL and unreacted LA. Pure GVL is essential for downstream applications, requiring efficient separation from LA based on reliable vapor–liquid equilibrium (VLE) data. This study reports previously unavailable isobaric VLE data for the GVL + LA system at 101.3, 80.0, 60.0, and 40.0 kPa. The data were predicted using the UNIFAC group contribution method, which estimates activity coefficients from molecular interactions. The predicted VLE were correlated using Wilson, NRTL, and UNIQUAC models to obtain binary interaction parameters and assess deviations. Relative volatility, a key indicator of separability and distillation efficiency, was evaluated. Additionally, excess thermodynamic properties were analyzed to understand non-ideal molecular behavior. The reliability of the generated dataset was validated through standard thermodynamic consistency tests of Redlich-Kister area test and L-W test. This work provides valuable data for designing efficient GVL–LA separation systems.