Modelling phase equilibria of sulphur compounds in mixtures relevant to carbon capture and storage with new association schemes

This study models the phase equilibria of sulphur compounds – SO2, H2S, and COS in mixtures relevant to carbon capture storage (CCS). The modelling tool used this investigation is cubic plus association (CPA) equation state. Modelling binary multicomponent these with CO2, water, glycols, methane, other inert performed. Different approaches are considered mixtures. Sulphur treated as non-associating or self-associating multiple sites, culminating proposal new schemes. Throughout study, predictive correlative performance CPA assessed. It has been found that allocating sites for leads improved behaviour. Further analysis against systems will need be performed conclude on appropriate schemes compounds.