Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part V: Multicomponent mixtures containing CO2 and alcohols

摘要: Abstract The Cubic plus association (CPA) equation of state has been previously applied to a variety binary systems containing CO2 with alkanes, water, alcohols and glycols as well few multicomponent mixtures (with triethylene glycol, water methane). In this study, we evaluate the performance CPA for ternary (methanol, ethanol or propanol) hydrocarbons. This work belongs series studies aiming arrive in single “engineering approach” applying acid gas mixtures, without introducing significant changes model. direction, results were obtained using various approaches, i.e. different schemes pure (assuming that it is non-associating compound, self-associating fluid two, three four sites) possibilities modelling (only use one interaction parameter kij assuming cross-association interactions obtaining relevant parameters either via combining rule an experimental value energy). It concluded powerful model can be used predictions mixture properties no adjustable fitted system data. are satisfactory rather similar most investigated approaches. However, overall assessment, also based on [Tsivintzelis et al. Fluid Phase Equilib. 306 (2011) 38–56, J. Chem. Eng. Data 59 (2014) 2955–2972, 397 (2015) 1–17], reveals best approaches those where (solvation) explicitly accounted alternatively when considered molecule sites). Furthermore, recommended values energy CO2–water CO2–alcohols.