Experimental measurement and modeling of the Liquid-Liquid Equilibrium of the isopropyl acetate + isopropanol + deep eutectic solvent system at 298.15 K and 101.3 kPa

• Grant number: 25/05055-5
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: June 01, 2025
• End date: May 31, 2026
• Field of knowledge: Engineering - Chemical Engineering - Industrial Operations and Equipment for Chemical Engineering
• Principal Investigator: Pedro Felipe Arce Castillo
• Grantee: Giovanna Coelho Coppetti
• Host Institution: Escola de Engenharia de Lorena (EEL). Universidade de São Paulo (USP). Lorena , SP, Brazil

Abstract

This project aims to perform the experimental measurement, quality test, distribution coefficient and separation factor of the phase behavior of the liquid-liquid equilibrium based on the extraction of isopropanol (IP) from isopropyl acetate (IPA) using deep eutectic solvents (DES). The experimental process will be carried out in a glass equipment which consists of an equilibrium cell adapted to maintain a constant temperature with the thermostatic bath. Once equilibrium is reached, the analyses (composition of the two liquid phases) will be made through the refractive index and density. Previously, the binodal curve will be obtained at the cloud point and will be used as a calibration curve (refractive index and density versus composition). The quality test of the experimental data will be performed using the method proposed by Marcilla et al. The distribution coefficients and separation factor will be determined from the experimental data. In the thermodynamic modeling, the Gamma-Gamma (¿-¿) approach will be used, using the excess Gibbs free energy model: NRTL (Non-Random Two-Liquids). To verify the consistency of the binary parameters determined from the NRTL model, a graphical interface tool for Gibbs free energy of mixing (GM/RT) will be used. Finally, the experimental and modeled results will be presented in a phase diagram (binodal curve and tie-lines) at 298.15 K and 101.3 kPa and the type of phase behavior of the LLE of the IPA + IP + DES system will be determined.