LAUSR

Abstract This is the second paper in a series which describes the development of a general PC-SAFT hydrocarbon model. In instalment I, a new treatment of aromaticity was included in the PC-SAFT equation of state by mapping aromatic π-π attractions onto a dipolar free energy. In this paper we include this aromatic-polar map into the development of a generalized thermodynamic model for hydrocarbons. The characterization model incorporates heteroatom polarity as well as aromaticity. The minimum level of input to the model is boiling point, molecular weight, and specific gravity. If a specific molecular structure is known, the model formalism accommodates inclusion of various aromatic and heteroatom functional groups. We demonstrate by comparison to pure component properties of defined hydrocarbon molecules that the new approach is of nearly quantitative accuracy. We also demonstrate how the use of the polarity contributions allows for accurate prediction of non-idealities in mixture phase equilibria.