Journal ArticleDOI
High-pressure vapor-liquid equilibrium with a UNIFAC-based equation of state
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In this paper, the ability of the mixing rules proposed by Michelsen to predict high-pressure phase equilibrium, when used in combination with the parameter table of modified UNIFAC, was investigated.Abstract:
Recent procedures developed by Heidemann (1990) and by Michelsen (1990a, b) enable us to formally incorporate excess Gibbs energy model parameters into a fully consistent equation of state, cith accurate reproduction of the behavior of the excess Gibbs energy model at atmospheric pressure.
This paper investigates the ability of the mixing rules proposed by Michelsen to predict high-pressure phase equilibrium, when used in combination with the parameter table of modified UNIFAC. Considering that a group contribution method is used for the excess Gibbs energy and that model parameters are extrapolated over a 200 K temperature interval, quite satisfactory results are obtained for the mixtures investigated.read more
Citations
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Journal ArticleDOI
Parameter estimation for cubic equations of state models subject to sufficient criteria for thermodynamic stability
TL;DR: In this article, a bilevel structure is proposed for parameter estimation in cubic equations of state (CEOS) models for phase equilibrium thermodynamics. But this method is not suitable for the VLE of C5H12/H2S.
Journal ArticleDOI
Universal method for equations of state (UNIFEST) an application of UNIFAC to predict the parameters of cubic equations of state
TL;DR: In this article, a method is proposed to predict the parameters of cubic equations of state by a single application of UNIFAC, which avoids applying time-consuming group contribution methods for vapor-liquid equilibrium (VLE) calculations.
Journal ArticleDOI
Multiphase Equilibrium Calculations from Soave Equation of State with Chang-Twu/UNIFAC Mixing Rules for Mixtures Containing Water, Alcohols, and Esters
TL;DR: In this paper, various versions of the Soave-Redlich-Kwong (SRK) equation of state incorporating different mixing rules were applied to calculate vapor-liquid equilibrium (VLE), liquid liquid equilibrium (LLE), and VLLE properties for the systems containing water, alcohols, and esters.
Book ChapterDOI
Vapor–Liquid Equilibrium and Physical Properties for Distillation
Jürgen Gmehling,Michael Kleiber +1 more
TL;DR: In this article, the most important thermodynamic models for the calculation and prediction of VLEs and conditions for the occurrence of azeotropic points or miscibility gaps in nonelectrolyte and electrolyte systems are presented.
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