Prediction of Greenhouse Gases Solubility in Eutectic Solvents using COSMO-RS

Abstract

Abstract Over the past few years, eutectic solvents (ESs) have been drawing the scientific community's attention because they are usually more environmentally friendly than traditional organic solvents. One of the applications of ESs is in the gas capture field, where they are considered promising absorbers to replace amine- (MEA, DEA, or MDEA processes), methanol- (Retinol process), dimethyl ethers of polyethylene glycol- (Selexol process), N-methyl-2-pyrrolidone- (Purisol process), propylene carbonate- (Fluor solvent process), or morpholine-based (Morphysorb process) solvents on CO2 capture of atmosphere. Although several studies have reported experimental gas solubility data in ESs, especially for CO2, only a small number of the existing options are covered. In fact, resorting to experimental methods to obtain the solubility data seems unfeasible considering the vast number of possible eutectic mixtures. Therewith, theoretical predictions of gas solubility in ESs are valuable for the fast pre-screening of prospective solvents. In this work, the ability of the COSMO-RS thermodynamic model to represent solubility data of CO2, CH4, and H2S in 17 Choline Chloride-based (ChCl) ESs was evaluated. The experimental data were collected from the literature at different molar ratios, at 298.15 K or 313.15 K, and in the pressure range from 1 to 125 bar. COSMO-RS offers a qualitative description of these gases' solubility, which was expected due to the model's fully predictive character.