Prediction of densities of novel deep eutectic solvent: Step towards carbon dioxide (CO2) mitigation using green solvent

Abstract. The density is one of the important physical property essential in effective design and development of new processes to capture CO2 from various industrial processes such as post combustion (power plants). The usual practice is to measure the densities of the solvent but sometime it is not practically possible to measure the density due to limited resources. Therefore, it is important to develop estimation methods to predict the important physical properties of solvents such deep eutectic solvents. In this work, the densities of deep eutectic solvent consist of Ethanolamine hydrochloride (EAHC) and Diethylenetriamine (DETA) at ratio 1:9 with 30 % water by volume was predicted at various temperature ranging from 290 K to 350 K which is usually the operating temperature range of absorber and desorber. The critical properties of salt DETA and hydrogen bond donor (EAHC) were estimated using the modified Joback-Reid method, while for aqueous DES, Lee-Kesler method was employed. The Rackett equation was employed to predict the densities of the aqueous DES (EAHC:DETA, 1:9) at various temperatures. The estimated densities were compared with the measured density data and a good agreement was found which is evident from the R2 values and anova analysis.