Effect of hydrogen bond acceptor of deep eutectic solvents on the vapor-liquid equilibrium in separation of tert-butanol from aqueous solutions at 101.3 kPa

• Grant number: 24/14204-1
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: November 01, 2024
• End date: October 31, 2025
• Field of knowledge: Engineering - Chemical Engineering - Industrial Operations and Equipment for Chemical Engineering
• Principal Investigator: Pedro Felipe Arce Castillo
• Grantee: Nicolas Gabriel de Souza Lucas
• Host Institution: Escola de Engenharia de Lorena (EEL). Universidade de São Paulo (USP). Lorena , SP, Brazil

Abstract

In this project, vapor-liquid equilibrium (VLE) data will be experimentally measured, and the consistency and thermodynamic modeling of the phase behavior of the water + terc-butanol + deep eutectic solvent (DES) system will be carried out, at 101,3 kPa. DESs to be synthesized will be: hydrogen bond acceptor: choline chloride ([CH+][Cl-]) and betaine; hydrogen bond donor: glycerol, in molar ratio: 1:2. VLE study will be carried out in experimental equipment containing a modified Othmer ebulliometer, thermostatic bath, temperature and pressure sensors, vacuum pump and digital manometer. Initially, calibration curves will be obtained: refractive index and density versus composition. Next, the compositions of the liquid and vapor phases, at equilibrium, will be determined using calibration curves, and will then be subjected to consistency testing using the Wisniack method. The experimental data considered thermodynamically consistent will be used in thermodynamic modeling (approach g-f). The activity coefficient, g, will be obtained from the UNIQUAC (UNIversal QUAse Chemical) model and the fugacity coefficient, f, will be set at 1,0 (P = 101,3 kPa). Results, in terms of temperature deviations and compositions in the vapor phase (Bubble-T), will be represented in phase diagrams. Finally, the efficiency of the DESs (entrainers), using relative volatilities, will be studied depending on the influence of the DES's hydrogen bond acceptor.