A Numerical Comparison of Soave Redlich Kwong and Peng-Robinson Equations of State for Predicting Hydrocarbons’ Thermodynamic Properties

B. Hussain, M. Ahsan


Mixture phase equilibrium and thermodynamic properties have a significant role in industry. Numerical analysis of flash calculation generates an appropriate solution for the problem. In this research, a comparison of Soave Redlich Kwong (SRK) and Peng-Robinson (PR) equations of state predicting the thermodynamic properties of a mixture of hydrocarbon and related compounds in a critical region at phase equilibrium is performed. By applying mathematical modeling of both equations of states, the behavior of binary gases mixtures is monitored. The numerical analysis of isothermal flash calculations is applied to study the pressure behavior with volume and mole fraction. The approach used in this research shows considerable convergence with experimental results available in the literature.


Peng-Robinson; Soave Redlich-Kwong; equation of state; mathematical modeling; flash calculation; methane; carbon dioxide; hydrogen

Full Text:



Z. Yushan, X. Zhihong, “Lipschitz optimization for phase stability analysis: Application to Soave–Redlich–Kwong equation of state”, Fluid Phase Equilibria, Vol. 162, No. 1, pp. 19-29, 1999

E. M. Zivkovic, D. M. Bajic, I. R. Radovic, S. P. Serbanovic, M. L. J. Kijevtanin, “Volumetric and viscometric behavior of the binary systems ethyl lactate+1,2-propanediol,+1,3-propanediol, plus tetrahydrofuran and plus tetraethylene glycol dimethyl ether. New UNIFAC-VISCO and ASOG-VISCO parameters determination”, Fluid Phase Equilibria, Vol. 373, pp. 1-19, Jul 15, 2014

S.-E. K. Fateen, M. M. Khalil, A. O. Elnabawy, “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”, Journal of Advanced Research, Vol. 4, No. 2, pp. 137-145, 2013

F. Goncalves, M. Castier, O. Araujo, “Dynamic simulation of flash drums using rigorous physical property calculations”, Brazilian Journal of Chemical Engineering, Vol. 24, No. 2, pp. 277-286, 2007

J.-N. Jaubert, R. Privat, “Relationship between the binary interaction parameters (kij) of the Peng–Robinson and those of the Soave–Redlich–Kwong equations of state: Application to the definition of the PR2SRK model”, Fluid Phase Equilibria, Vol. 295, No. 1, pp. 26-37, 2010

K. Frey, M. Modell, J. Tester, “Density-and-temperature-dependent volume translation for the SRK EOS: 1. Pure fluids”, Fluid Phase Equilibria, Vol. 279, No. 1, pp. 56-63, 2009

X.-H. Xu, Y.-Y. Duan, Z. Yang, “Crossover volume translation Soave–Redlich–Kwong equation of state for fluids”, Industrial & Engineering Chemistry Research, Vol. 51, No. 18, pp. 6580-6585, 2012

J. A. P. Coelho, R. M. Filipe, G. P. Naydenova, D. S. Yankov, R. P. Stateva, “Semi-empirical models and a cubic equation of state for correlation of solids solubility in scCO2: Dyes and calix[4]arenes as illustrative examples”, Fluid Phase Equilibria, Vol. 426, pp. 37-46, 2016

A. Shen, Q. Liu, Y. Duan, Z. Yang, “Crossover Equation of State for Selected Hydrocarbons (C4–C7)”, Chinese Journal of Chemical Engineering, Vol. 22, No. 11–12, pp. 1291-1297, 2014

Z. Ziabakhsh-Ganji, H. Kooi, “An Equation of State for thermodynamic equilibrium of gas mixtures and brines to allow simulation of the effects of impurities in subsurface CO2 storage”, International Journal of Greenhouse Gas Control, Vol. 11, Supplement, pp. S21-S34, 2012

H. Baled, R. M. Enick, Y. Wu, M. A. McHugh, W. Burgess, D. Tapriyal, B. D. Morreale, “Prediction of hydrocarbon densities at extreme conditions using volume-translated SRK and PR equations of state fit to high temperature, high pressure PVT data”, Fluid Phase Equilibria, Vol. 317, pp. 65-76, 2012

F. Esmaeilzadeh, F. Samadi, “Modification of Esmaeilzadeh-Roshanfekr equation of state to improve volumetric predictions of gas condensate reservoir”, Fluid Phase Equilibria, Vol. 267, No. 2, pp. 113-118, 2008

A. M. Abudour, S. A. Mohammad, R. L. Robinson Jr, K. A. M. Gasem, “Generalized binary interaction parameters for the Peng–Robinson equation of state”, Fluid Phase Equilibria, Vol. 383, pp. 156-173, 2014

V. H. Alvarez, M. Aznar, “Thermodynamic modeling of vapor–liquid equilibrium of binary systems ionic liquid + supercritical {CO2 or CHF3} and ionic liquid + hydrocarbons using Peng–Robinson equation of state”, Journal of the Chinese Institute of Chemical Engineers, Vol. 39, No. 4, pp. 353-360, 2008

L. Mingjian, M. Peisheng, X. Shuqian, “A modification of α in SRK equation of state and vapor-liquid equilibria prediction”, Chinese Journal of Chemical Engineering, Vol. 15, No. 1, pp. 102-109, 2007

G.-B. Hong, C.-T. Hsieh, H.-m. Lin, M.-J. Lee, “Multiphase Equilibrium Calculations from Soave Equation of State with Chang-Twu/UNIFAC Mixing Rules for Mixtures Containing Water, Alcohols, and Esters”, Industrial & Engineering Chemistry Research, Vol. 51, No. 13, pp. 5073-5081, 2012

H. Lin, Y.-Y. Duan, T. Zhang, Z.-M. Huang, “Volumetric property improvement for the Soave-Redlich-Kwong equation of state”, Industrial & Engineering Chemistry Research, Vol. 45, No. 5, pp. 1829-1839, 2006

K. Nasrifar, O. Bolland, “Square-well potential and a new α function for the soave-Redlich-Kwong equation of state”, Industrial & Engineering Chemistry Research, Vol. 43, No. 21, pp. 6901-6909, 2004

L. Y. Zang, Q. L. Zhu, Z. Yun, “Extension of a Quartic Equation of State to Pure Polar Fluids”, Canadian Journal of Chemical Engineering, Vol. 89, No. 3, pp. 453-459, 2011

L. Martinez-Banos, J. M. Embid, S. Otin, M. Artal, “Vapour-liquid equilibrium at T=308.15 K for binary systems: Dibromomethane plus n-heptane, bromotrichloromethane plus n-heptane, bromotrichloromethane plus dibromomethane, bromotrichloromethane plus bromochloromethane and dibromomethane plus bromochlormethane. Experimental data and modelling”, Fluid Phase Equilibria, Vol. 395, pp. 1-8, 2015

L. Lugo, M. J. P. Comunas, E. R. Lopez, J. Fernandez, “Volumetric properties of 1-iodoperfluorohexane plus n-octane binary system at several temperatures - Experimental data and EoS prediction”, Journal of Thermal Analysis and Calorimetry, Vol. 87, No. 1, pp. 179-187, 2007

I. Ashour, N. Al-Rawahi, A. Fatemi, G. Vakili-Nezhaad, Applications of Equations of State in the Oil and Gas Industry, INTECH Open Access Publisher, 2011

K. Liu, Y. Wu, M. A. McHugh, H. Baled, R. M. Enick, B. D. Morreale, “Equation of state modeling of high-pressure, high-temperature hydrocarbon density data”, The Journal of Supercritical Fluids, Vol. 55, No. 2, pp. 701-711, 2010

D. S. H. Wong, S. I. Sandler, “A theoretically correct mixing rule for cubic equations of state”, AIChE Journal, Vol. 38, No. 5, pp. 671-680, 1992

G. Soave, S. Gamba, L. A. Pellegrini, “SRK equation of state: Predicting binary interaction parameters of hydrocarbons and related compounds”, Fluid Phase Equilibria, Vol. 299, No. 2, pp. 285-293, 2010

T. Sugahara, S. Murayama, S. Hashimoto, K. Ohgaki, “Phase equilibria for H 2+ CO 2+ H 2 O system containing gas hydrates”, Fluid Phase Equilibria, Vol. 233,No. 2, pp. 190-193, 2005

G. Soave, “Equilibrium constants from a modified Redlich-Kwong equation of state”, Chemical Engineering Science, Vol. 27, No. 6, pp. 1197-1203, 1972

eISSN: 1792-8036     pISSN: 2241-4487