Semi-empirical correlation for binary interaction parameters of the Peng-Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor-liquid equilibrium

Seif-Eddeen K Fateen; Menna M Khalil; Ahmed O Elnabawy

doi:10.1016/j.jare.2012.03.004

Semi-empirical correlation for binary interaction parameters of the Peng-Robinson equation of state with the van der Waals mixing rules for the prediction of high-pressure vapor-liquid equilibrium

J Adv Res. 2013 Mar;4(2):137-45. doi: 10.1016/j.jare.2012.03.004. Epub 2012 May 5.

Authors

Seif-Eddeen K Fateen¹, Menna M Khalil¹, Ahmed O Elnabawy¹

Affiliation

¹ Department of Chemical Engineering, Faculty of Engineering, Cairo University, P.O. Box 12613, Giza, Egypt.

Abstract

Peng-Robinson equation of state is widely used with the classical van der Waals mixing rules to predict vapor liquid equilibria for systems containing hydrocarbons and related compounds. This model requires good values of the binary interaction parameter kij . In this work, we developed a semi-empirical correlation for kij partly based on the Huron-Vidal mixing rules. We obtained values for the adjustable parameters of the developed formula for over 60 binary systems and over 10 categories of components. The predictions of the new equation system were slightly better than the constant-kij model in most cases, except for 10 systems whose predictions were considerably improved with the new correlation.

Keywords: Binary interaction parameters; Mixing rules; Peng–Robinson equation of state; Vapor–liquid equilibrium.