A new GE-mixing-rule using the Dohrn-Prausnitz equation of state for the prediction of phase equilibria of nonideal mixtures

A new mixing rule for the attractive term parameter in the Dohrn-Prausnitz equation of state (DP-EOS) has been developed by combining the EOS with a group contribution GE-model. The application of the Dohrn-Prausnitz perturbation term for the Carnahan-Starling EOS in combination with original- or modified-UNIFAC leads to a new GEEOS model, the predictive-Dohrn-Prausnitz model (PDP), that successfully allows the prediction of phase equilibria of various nonideal systems at low and high pressures without introducing any parameters that have to be fitted to experimental data. Moreover, PDP is excellently suitable to predict both vapor-liquid equilibria (VLE) and vapor-solid equilibria of mixtures containing polar compounds, such as waterethanol, methanolacetone or carbon dioxidenaphthalene. The PDP equation of state can be used for predictions over large range of temperature and pressure and is easily extended to mixtures with supercritical components.