Industrial & Engineering Chemistry Research, Vol.49, No.16, 7589-7596, 2010
Modeling of Highly Nonideal Systems: 2. Prediction of High Pressure Phase Equilibria with the Group Contribution NRTL-PR EoS
The purpose of this study is to propose a simple cubic equation of state for the prediction of phase equilibria in highly non ideal systems. The NRTL-PR equation of state is based on the association of the Peng-Robinson EoS and the generalized NRTL model developed in the first part of this work. This model, which derives from the lattice two-fluid theory, was specially developed to take account for the differences in size and shape between mixture components. The main advantage of the resulting NRTL-PR equation of state is to yield a simple and predictive model, depending on very few interaction parameters. In addition, it also allows satisfactory predictions of excess enthalpies, liquid vapor and liquid liquid equilibria occurring in mixtures formed by very asymmetric compounds, such as hydrocarbons, water, and ethylene glycols.