This work illustrates several practical examples based on the solubility of greenhouse gases on selected ionic liquids (ILs) and Deep Eutectic Solvents (DESs), in order to evaluate its feasibility as a possible greener media for gas separation. A coarse-grained molecular model, within the framework of the soft-SAFT equation of state is presented for each molecule based on structural information. Particular attention is paid on the hydrogen-bonding effects on these molecules when building an accurate molecular model to describe the main gas-solvent interactions. The absorption of relevant gases is accurately describe and compared with experimental data using a minimum amount of information, trying to assess the most appropriate solvent and the optimal operating conditions to maximize each gas separation.
展开▼
