The performance of EoS/GE models in the prediction of Vapor-Liquid Equilibria in asymmetric systems

Voutsas, Epaminondas; Boukouvalas, Christos; Kalospiros, Nikolaos S.; Tassios, Dimitrios P.

doi:10.1016/0378-3812(95)02921-4

Cited by 45 publications

(44 citation statements)

References 25 publications

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“…The LCVM model uses the t-mPR EoS coupled with the original UNIFAC G E model and introduces a new mixing rule, a linear combination of the Vidal and Michelsen ones, for parameter a in the attractive term of the EoS. The original UNIFAC interaction parameter table used with LCVM has been enhanced to include gas/gas, gas/CH 2 , gas/ACH and gas/ACCH 2 parameters for the gases CO 2 , CH 2 , C 2 H 6 , N 2 and H 2 S. The use of the LCVM model for this purpose is justified by its successful performance in the VLE prediction for asymmetric systems (Apostolou et al, 1995;Spiliotis et al, 1994aSpiliotis et al, , 1994bVoutsas et al, 1996;Yakoumis et al, 1996).…”

Section: Interaction Parameters Of H S/hydrocarbon Binary Systemsmentioning

confidence: 99%

Prediction of Phase Equilibria and Volumetric Behavior of Fluids with High Concentration of Hydrogen Sulfide

Stamataki

Magoulas

2000

Oil & Gas Science and Technology - Rev. IFP

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Section: Interaction Parameters Of H S/hydrocarbon Binary Systemsmentioning

confidence: 99%

Prediction of Phase Equilibria and Volumetric Behavior of Fluids with High Concentration of Hydrogen Sulfide

Stamataki

Magoulas

2000

Oil & Gas Science and Technology - Rev. IFP

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“…The prediction of phase equilibria for the systems CO 2 /alcohol by the PSRK and LCVM models with the parameters published in the literature [20,25,30] gives rise to a mean quadratic deviations of 0.076 and 0.085, respectively. Since these values are slightly high, it was attempted the calculation of new interaction parameters for these models using the same data bank used to obtain the parameters for the WS mixing rule.…”

Section: Systems Co 2 /Alcoholmentioning

confidence: 99%

“…The LCVM mixing rule has also been applied with the original UNIFAC group contribution model, using the published interaction parameters for vapor-liquid equilibrium and the new parameters obtained for gases, such as CO 2 [30].…”

Section: Lcvm Mixing Rulementioning

confidence: 99%

“…For the WS mixing rule, the G E was obtained by the modified UNIFAC method, whose group and [30] sub-group parameters used in this work are summarized in Table B.4.…”

Section: Appendix B Unifac Parametersmentioning

confidence: 99%

“…The group and sub-group interaction parameters for the original UNIFAC method are presented in Table B.1, and the published interaction parameters of interest are summarized in Tables B.2 and B.3, for the PSRK and LCVM models, respectively. For the LCVM mixing rule, the parameters for the group CO 2 published by Voutsas et al [30] were used (i.e. R k = 1.296 and Q k = 1.261).…”

Section: Appendix B Unifac Parametersmentioning

confidence: 99%

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Prediction of the solubility of aromatic components of wine in carbon dioxide

Silva

Barbosa

2004

The Journal of Supercritical Fluids

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The possibility of using group contribution methods to predict the solubility of the most important families of aromatic compounds of wine-alcohols, esters and aldehydes-in carbon dioxide (CO 2 ) is analyzed in this work by comparing the results obtained with three different predictive methods, which couple equations of state and mixing rules based on the concept of the excess Gibbs free energy. The methods studied are the Predictive Soave-Redlich-Kwong (PSRK), the Linear Combination of the Vidal and Michelsen mixing rules (LCVM) and the Wong-Sandler mixing rule (WS). In all these models the excess Gibbs free energy is calculated by the UNIFAC method. For the WS mixing rule, interaction parameters between the groups CO 2 /CH 2 , CO 2 /OH, CO 2 /CCOO and CO 2 /CHO are obtained. For the LCVM mixing rule, interaction parameters are calculated for the groups CO 2 /CHO, and revised values for the groups CO 2 /OH are suggested. Finally, for the PSRK mixing rule, revised values are proposed for the interaction parameters between the groups CO 2 /OH and CO 2 /CHO. The results of this work show that the PSRK is the method that best predicts the phase equilibria for the systems studied, with a quadratic mean deviation lower than 5.5%.

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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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The performance of EoS/GE models in the prediction of Vapor-Liquid Equilibria in asymmetric systems

Cited by 45 publications

References 25 publications

Prediction of Phase Equilibria and Volumetric Behavior of Fluids with High Concentration of Hydrogen Sulfide

Prediction of Phase Equilibria and Volumetric Behavior of Fluids with High Concentration of Hydrogen Sulfide

Prediction of the solubility of aromatic components of wine in carbon dioxide

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

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