Multiphase Behavior of the Water + 1-Butanol + Deep Eutectic Solvent Systems at 101.3 kPa

• Published in: Molecules (Basel, Switzerland) Switzerland), 2024-10, Vol.29 (20), p.4814
• Main Authors: Gomes, Isadora Pires, Dos Santos, Nicolas Pinheiro, Noronha, Pedro Bernardes, Duarte, Ryan Ricardo Bitencourt, Cardim, Henrique Pina, da Silva, Erivaldo Antônio, Dos Santos, Renivaldo José, Ferreira-Pinto, Leandro, Arce, Pedro
• Format: Article
• Language: English
• Subjects: 1-butanol; Calibration; Chloride; Comparative analysis; deep eutectic solvents; Equilibrium; experimental thermodynamics; Glycerin; Glycerol; Hydrogen bonds; Innovations; multiphase equilibria; NRTL model; Solvents; Thermodynamics; Toxicity; Water
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules29204814

The growing demand for more sustainable routes and processes in the mixture separation and purification industry has generated a need to search for innovations, with new solvent alternatives being a possible solution. In this context, a new class of green solvents, known as deep eutectic solvents (DESs), has been gaining prominence in recent years in both academic and industrial spheres. These solvents, when compared to ionic liquids (ILs), are more environmentally friendly, less toxic, low-cost, and easier to synthesize. In addition, they have significantly lower melting points than their precursors, offering a promising option for various applications in this industrial sector. Understanding and studying the thermodynamic behavior of systems composed of these substances in purification and separation processes, such as liquid-liquid extraction and azeotropic distillation, is extremely important. This work aimed to study the phase behavior of liquid-liquid equilibrium (LLE) and vapor-liquid equilibrium (VLE) of water + 1-butanol + DES (choline chloride + glycerol) systems with a molar ratio of 1:2. Experimental LLE data, obtained at 298.15 K and 101.3 kPa, and VLE data, obtained at 101.3 kPa and in the temperature range of 364.05 K-373.85 K, were submitted to the thermodynamic quality/consistency test, proposed by Marcilla et al. and Wisniak, and subsequently modeled using the gamma-gamma approach for the LLE and gamma-phi for the VLE. The non-random two-liquid (NRTL) model was used to calculate the activity coefficient. The results are presented for the VLE in a temperature-composition phase diagram (triangular prism) and triangular phase diagrams showing the binodal curve and tie lines (LLE). The separation and distribution coefficients of LLE were determined to evaluate the extractive potential of the DES. For the VLE, the values of the relative volatility of the system were calculated, considering the entrainer free-basis, to evaluate the presence or absence of azeotropes in the range of collected points. From these data, it was possible to compare DES with ILs as extracting agents, using data from previous studies carried out by the research group. Therefore, the results indicate that the NRTL model is efficient at correlating the fluid behavior of both equilibria. Thus, this study serves as a basis for future studies related to the understanding and design of separation processes.