LAUSR

Abstract Prediction of alcohol-hydrocarbon phase behavior within a SAFT equation of state is a well-studied topic in the recent literature. Most of these studies focus on the phase behavior of alcohols with n-alkanes, and have demonstrated the successful prediction of non-ideal phase behavior. If the same predictability is to be attained for mixtures of alcohols with aromatic species, there must be a systematic approach to allow for the aromatic cores to receive hydrogen bonds. In this work, we develop a new alcohol parameterization within the PC-SAFT equation of state which is shown to give accurate predictions of alcohol-hydrocarbon phase behavior with both saturated and aromatic hydrocarbons. A major application of alcohol-hydrocarbon phase behavior is the prediction of the phase behavior of alcohol-gasoline blends. In a refinery setting, gasoline will be described by a series of petroleum pseudo-components. In conjunction with the developed alcohol parameterization, we demonstrate the ability of the recently developed EMPETRO characterization scheme to predict the phase behavior of alcohols with petroleum pseudo-components. In a sister publication [Vella J. R. and Marshall B. D., Fuel, 2019] we apply this methodology to predict refinery blending properties of alcohol-gasoline blends such as Reid vapor pressure and ASTM D86 distillation curves.