Soft-SAFT Transferable Molecular Models for the Description of Gas Solubility in Eutectic Ammonium Salt-Based Solvents

Research on new sustainable technologies focused on carbon capture is a priority in most industrial processes, particularly in the combustion of fossil fuels. One challenging option is the replacement of corrosive, volatile, and nonbiodegradable amine-based solvents by the more tunable, greener, and less expensive deep eutectic solvents (DESs). However, the large amount of eutectic mixture combinations requires an intense experimental characterization. The implementation of semipredictive theoretical models to describe the physicochemical properties is a useful tool to reduce the amount of experimental work. In this contribution, the well-established soft-SAFT equation of state is applied to develop consistent molecular models of different eutectic ammonium chloride and bromide salt-based DESs with ethylene glycol and levulinic acid to describe their density and the solubility of CO2 and SO2 in them. In all cases, DESs are modeled as a mixture of two independent entities, overcoming the limitations of the...