Vapor–Liquid Equilibria and Computational Study for Aqueous Solutions of Novel Deep Eutectic Solvents (Amino Acid/Lactic Acid) at 298.15 K
Saeid Faraji, Masumeh Mokhtarpour, Elmira Behboudi, Asma Sadr-Mousavi, Hemayat Shekaari, Mohammed Taghi Zafarani-Moattar
Abstract
The thermodynamic properties of novel natural deep eutectic solvents (NDESs) based on amino acids are of great importance in extraction of pharmaceutical compounds. In this work, the vapor–liquid equilibria (VLE) for the aqueous solutions of natural deep eutectic solvents (NDESs) containing {lactic acid/alanine}, {lactic acid/glycine} and {lactic acid/histidine} at 298.15 K and atmospheric pressure were determined, and water activity is measured by using the isopiestic method. The obtained data then have been correlated with some activity coefficient models including nonrandom two-liquid (NRTL), Wilson, and universal quasichemical models (UNIQUAC). DFT method was utilized to evaluate the molecular interactions between the components of the investigated DESs and calculate the interactions energies.