Proposing novel predictive group and atomic contribution models for hydrogen sulfide absorption by Deep Eutectic Solvents

Hydrogen sulfide (H2S) is one of the most dangerous impurities of natural gas which cause human and environmental issues. Thus, the main process of gas sweetening plants is H2S removal from natural gas. Amine solutions are the commonly used solvents for gas-sweetening processes in petroleum industries. However, amin solutions are not safe and cause many environmental issues especially in the post-process treatment of used amine. Thus, the issue of proposing green sustainable solvents for gas sweetening is vital for petroleum industries. Deep Eutectic Solvents (DESs) are the most recently introduced green solvents which have shown good capability for H2S absorption. Thus, DESs are one of the most possible candidates for green solvents to replace amine solutions. Experimental studies to choose suitable solvents is a tough challenge because working with H2S is very dangerous and requires expensive facilities. Therefore, an accurate and global thermodynamic model is necessary to predict the solubilities of H2S in DESs without the requirement of experimental data. This study for the first time in open literature, proposes two accurate and global thermodynamic models of group contribution (GC) and atomic contribution (AC) for predicting the H2S solubilities in various nature DESs. The largest and most updated data bank for H2S solubility in DESs was developed from open literature, including 415 solubility data of 37 different nature DESs. The proposed GC and AC models were developed according to the gathered data bank and their results were analyzed by statistical parameters. Both GC and AC models show normal behavior and promising results concerning experimental data by the calculated AARD% of 9.64, and 12.86, respectively.