Quantification of Dipolar Contribution and Modeling of Green Polar Fluids with the Polar Cubic-Plus-Association Equation of State

Water, alcohols, ketones, esters, and ionic liquids are usually ranked as green solvents. There is still no consensus how to model these substances in the best manner due their strong polarities. In this work, with a newly developed polar Cubic-Plus-Association equation of state (PCPA EoS), influence dipole–dipole interaction on thermophysical properties investigated for associating fluids (water alcohols), nonassociating (hydrogen sulfide, esters), liquids. Special attention paid heat capacity, which difficult so-called second-order derivative property. The correlation capabilities PCPA CPA first compared vapor pressure, liquid density, capacity primary evaluation interaction. Then contributions residual estimated individual terms reflecting different molecular interactions. It found that from negligible compounds, while they very important both accurate capacities can be correlated only after counted model.