What Is the Optimal Activity Coefficient Model To Be Combined with the translated–consistent Peng–Robinson Equation of State through Advanced Mixing Rules? Cross-Comparison and Grading of the Wilson, UNIQUAC, and NRTL aE Models against a Benchmark Database Involving 200 Binary Systems

Objectives. This study aims to draw PT-phase envelopes and calculate the critical points for multicomponent systems using flash calculations.Methods. Flash calculations with an equation of state and a mixing rule were used to construct phase envelopes for multicomponent systems. In general, the methodology uses the Soave–RedlichKwong equation of state and Van der Waals mixing rules; and the Peng–Robinson equation of state with Wong–Sandler mixing rules and the non-random two-liquid activity coefficient model.Results. The method was applied to the following mixtures: ethane (1)–butane (2) (four different compositions); ethane (1)–propane (2) (four different compositions); butane (1)–carbon dioxide (2) (three different compositions); C2C3C4C5C6 (one composition); isobutane–methanol–methyl tertbutyl ether–1-butene (one composition); and propylene–water–isopropyl alcohol–diisopropyl ether (one composition).Conclusions. Our results agreed to a large extent with the experimental data available in the literature. For mixtures that contained CO2 , the best results were obtained using the PengRobinson equation of state and the Wong–Sandler mixing rules. Our methodology, based on flash calculations, equations of state, and mixing rules, may be viewed as a shortcut procedure for drawing phase envelopes and estimating critical points of multicomponent systems.

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Prediction of mixture vapor–liquid equilibrium from the combined use of Peng–Robinson equation of state and COSMO-SAC activity coefficient model through the Wong–Sandler mixing rule

Fluid Phase Equilibria ◽

10.1016/j.fluid.2007.02.012 ◽

2007 ◽

Vol 254 (1-2) ◽

pp. 28-34 ◽

Cited By ~ 31

Author(s):

Ming-Tsung Lee ◽

Shiang-Tai Lin

Keyword(s):

Equation Of State ◽

Activity Coefficient ◽

Mixing Rule ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

Activity Coefficient Model ◽

Combined Use ◽

Robinson Equation ◽

Vapor Liquid

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Experimental measurement and modelling of vapour-liquid equilibrium data for the C2F4-C3F6-s-C4F8 system

Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie ◽

10.4102/satnt.v30i1.99 ◽

2011 ◽

Vol 30 (1) ◽

Author(s):

Francois J. Conradie

Keyword(s):

Experimental Data ◽

Equation Of State ◽

Binary System ◽

Activity Coefficient ◽

Mixing Rule ◽

Liquid Equilibrium ◽

Activity Coefficient Model ◽

Equilibrium Data ◽

Robinson Equation ◽

Alpha Function

The vapour-liquid equilibrium data for the C2F4-C3F6-s-C4F8 system are presented. Each binary system was evaluated at three isotherms. The experimental data will be correlated to the Peng-Robinson equation of state, incorporating the Mathias-Copeman alpha function, with the Wong-Sandler mixing rule utilising the NRTL activity coefficient model.

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