Process Analysis of Ionic Liquid-Based Blends as H₂S Absorbents: Search for Thermodynamic/Kinetic Synergies

Acid gas absorption by ionic liquids (ILs) has arisen as a promising alternative technique for biogas or natural upgrading. In the present work, IL-based blends are evaluated potential thermodynamic/kinetic synergistic effects on hydrogen sulfide (H2S) capture through physical and/or chemical absorption. First, molecular simulation analysis means of COSMO-RS was used to select with enhanced H2S absorbent thermodynamic properties. Physical parameters reference (KHenry) in several were calculated at 298 K, involving both IL mixtures and conventional industrial absorbents (tetraglyme (TGM)) ILs different compositions. A Henry’s constant deviation parameter (?HKHenryH2S) employed analyze nonideal mixture solubility blends. addition, viscosities diffusivities estimated key controlling diffusion uptake rates. From this analysis, sample kinetic properties selected process using COSMO-based/Aspen Plus methodology then carried out modeling an industrial-scale commercial packed column. One IL, 1-butyl-3-methylimidazoium acetate ([Bmim][OAc]), presenting high low viscous solvent (TGM) also included. The strong control indicated limited performance neat equipment. contrast, COSMO/Aspen revealed that adequate formulations based [Bmim][OAc] TGM compared compounds. These computational results may be guide future experimental research design new absorbents, reducing highly demanding input.