Analysis of zero‐reference‐pressure EoS/G<sup>E</sup> models

Kalospiros, Nikolaos S.; Tzouvaras, Nikolaos; Coutsikos, Philippos; Tassios, Dimitrios P.

doi:10.1002/aic.690410420

Cited by 34 publications

(16 citation statements)

References 24 publications

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“…For the liquid density representation, polar species such as 1,2-dichloroethane and ethanol showed more pronounced deviations from the vdWt EoS. To overcome these limitations, association and more rigorous repulsive terms should be considered in the thermodynamic model (Kalospiros et al, 1995;Kontogeorgis and Folas, 2010). However, in general, the EoS vdWt+MHV2 was able to satisfactorily represent both phase equilibrium and volumetric behavior.…”

Section: Results and Final Remarksmentioning

confidence: 99%

“…On the other hand, activity coefficient models are characterized by their capability to describe phase equilibrium data for complex systems due to their mathematical flexibility. Thus, a cubic and simple EoS, combined with the UNIFAC model via the mixing rule, may provide the required tool for predicting thermodynamic properties valid for various classes of mixtures as well as for wide ranges of T and P. Mixing rules for cubic EoS using group contribution excess free energy models have been studied by various researchers, including Twu et al (1998), Heidemann (1996), Orbey and Sandler (1996), Novenario et al (1996), Kalospiros et al (1995), Kontogeorgis and Folas (2010), Haghtalab and Mahmoodi (2010), Staud andSoares (2012), andCosta et al (2014). The modified HuronVidal mixing rule was introduced by Michelsen (1990), properly matching the excess Gibbs energy calculated by the EoS at zero pressure.…”

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confidence: 99%

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Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Chiavone‐Filho¹,

Foletto²,

Terron³

2014

ing.inv.

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Section: Results and Final Remarksmentioning

confidence: 99%

mentioning

confidence: 99%

Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Chiavone‐Filho¹,

Foletto²,

Terron³

2014

ing.inv.

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“…7. Kalospiros et al [142] 4. Orbey and Sandler [137] explored the reason MHV1, MHV2, PSRK and other ZRP based models fare poorly for asymmetric mixtures.…”

Section: Reviewmentioning

confidence: 98%

Prediction of Vapor-Liquid Equilibria Using Peng-Robinson and Soave-Redlich-Kwong Equations of State

Ghosh¹

1999

Chem. Eng. Technol.

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Knowledge of vapor-liquid equilibria is essential for chemical process design. Development of algebraically simple cubic equations of state, particularly Peng-Robinson and Soave-Redlich-Kwong equations of state has encouraged vapor-liquid equilibria calculation using the equation of state approach. To extend applicability to complex mixtures, several modifications to these equations of state were proposed. Also, many new mixing rules have been developed besides the already existing ones that incorporate excess free energy models. Some of these EoS/G E models are found to be applicable to complex systems in which the components can be highly polar, differ vastly in size or may be forming association. In spite of a large number of publications on this field, this subject is still open for further research. In this article, an overview on the work done using the most successful of the cubic equations of state, i.e., Peng-Robinson and Soave-Redlich-Kwong equations of state is presented. In the later part of this article, VLE predictions (using these two equations of state) of some interesting systems like water/hydrocarbon mixtures, polymer solutions, electrolyte solutions and refrigerant mixtures are discussed. The objective is to present the available information for ready reference that will prove to be useful from a designers point of view. It is seen from the existing literature that with a proper choice of equation of state and mixing rule based on the available knowledge on the properties of the system of interest, VLE of highly complex systems can be predicted with accuracy. Several comparative studies that are cited here (and discussed) will help the designer to pick-up the right combination for the system under investigation.

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“…F X ð Þ is the molar Gibs free energy, H Y ð Þ is a function of the r À 1 chemical components, defined by the Equation (8), which can be rewritten as the following inequality:…”

Section: First Approachmentioning

confidence: 99%

Modelling the Vapor-Liquid Equilibrium of Polymer Solutions Using a Cubic Equation of State

Gomes¹,

Henderson²,

Rocha³

2001

Macromol. Theory Simul.

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Analysis of zero‐reference‐pressure EoS/G^E models

Cited by 34 publications

References 24 publications

Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Prediction of Vapor-Liquid Equilibria Using Peng-Robinson and Soave-Redlich-Kwong Equations of State

Modelling the Vapor-Liquid Equilibrium of Polymer Solutions Using a Cubic Equation of State

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Analysis of zero‐reference‐pressure EoS/GE models

Cited by 34 publications

References 24 publications

Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Representation of phase equilibria and densities for complex systems using a van der Waals volume translated equation of state with a UNIFAC mixing rule

Prediction of Vapor-Liquid Equilibria Using Peng-Robinson and Soave-Redlich-Kwong Equations of State

Modelling the Vapor-Liquid Equilibrium of Polymer Solutions Using a Cubic Equation of State

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Analysis of zero‐reference‐pressure EoS/G^E models