Models representación de los equilibrios líquidos multifásicos de sistemas cuaternarios con los modelos NRTL y UNIQUAC

Fernando García-Sánchez; Daimler N. Justo-García; Jacinto Águila-Hernández; Ascención Romero-Martínez

doi:10.4067/S0718-07642012000100014

Models representación de los equilibrios líquidos multifásicos de sistemas cuaternarios con los modelos NRTL y UNIQUAC

Translated title of the contribution: Modeling of multiphase liquid equilibria for quaternary systems with the NRTL and UNIQUAC

Fernando García-Sánchez, Daimler N. Justo-García, Jacinto Águila-Hernández, Ascención Romero-Martínez

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The modeling of multiphase liquid equilibria for quaternary systems using the activity coefficient models NRTL and UNIQUAC is presented. The numerical procedure used to calculate the multiphase liquid equilibria of these systems is based on the minimization of the system Gibbs energy in conjunction with thermodynamic stability tests to find the most stable state of the system. The algorithms presented to estimate the binary interaction parameters of the NRTL and UNIQUAC models were applied to the correlation of the experimental data for two quaternary systems with two and three liquid phases in equilibrium. The agreement between experimental equilibrium data and those calculated with both models was satisfactory for the two systems studied.

Translated title of the contribution	Modeling of multiphase liquid equilibria for quaternary systems with the NRTL and UNIQUAC
Original language	Spanish
Pages (from-to)	129-138
Number of pages	10
Journal	Informacion Tecnologica
Volume	23
Issue number	1
DOIs	https://doi.org/10.4067/S0718-07642012000100014
State	Published - 2012
Externally published	Yes

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title = "Models representaci{\'o}n de los equilibrios l{\'i}quidos multif{\'a}sicos de sistemas cuaternarios con los modelos NRTL y UNIQUAC",

abstract = "The modeling of multiphase liquid equilibria for quaternary systems using the activity coefficient models NRTL and UNIQUAC is presented. The numerical procedure used to calculate the multiphase liquid equilibria of these systems is based on the minimization of the system Gibbs energy in conjunction with thermodynamic stability tests to find the most stable state of the system. The algorithms presented to estimate the binary interaction parameters of the NRTL and UNIQUAC models were applied to the correlation of the experimental data for two quaternary systems with two and three liquid phases in equilibrium. The agreement between experimental equilibrium data and those calculated with both models was satisfactory for the two systems studied.",

keywords = "Gibbs energy, Liquid-liquid equilibrium, Numerical algorithm, Solution models, Thermodynamic stability",

author = "Fernando Garc{\'i}a-S{\'a}nchez and Justo-Garc{\'i}a, {Daimler N.} and Jacinto {\'A}guila-Hern{\'a}ndez and Ascenci{\'o}n Romero-Mart{\'i}nez",

year = "2012",

doi = "10.4067/S0718-07642012000100014",

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journal = "Informacion Tecnologica",

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T1 - Models representación de los equilibrios líquidos multifásicos de sistemas cuaternarios con los modelos NRTL y UNIQUAC

AU - García-Sánchez, Fernando

AU - Justo-García, Daimler N.

AU - Águila-Hernández, Jacinto

AU - Romero-Martínez, Ascención

PY - 2012

Y1 - 2012

N2 - The modeling of multiphase liquid equilibria for quaternary systems using the activity coefficient models NRTL and UNIQUAC is presented. The numerical procedure used to calculate the multiphase liquid equilibria of these systems is based on the minimization of the system Gibbs energy in conjunction with thermodynamic stability tests to find the most stable state of the system. The algorithms presented to estimate the binary interaction parameters of the NRTL and UNIQUAC models were applied to the correlation of the experimental data for two quaternary systems with two and three liquid phases in equilibrium. The agreement between experimental equilibrium data and those calculated with both models was satisfactory for the two systems studied.

AB - The modeling of multiphase liquid equilibria for quaternary systems using the activity coefficient models NRTL and UNIQUAC is presented. The numerical procedure used to calculate the multiphase liquid equilibria of these systems is based on the minimization of the system Gibbs energy in conjunction with thermodynamic stability tests to find the most stable state of the system. The algorithms presented to estimate the binary interaction parameters of the NRTL and UNIQUAC models were applied to the correlation of the experimental data for two quaternary systems with two and three liquid phases in equilibrium. The agreement between experimental equilibrium data and those calculated with both models was satisfactory for the two systems studied.

KW - Gibbs energy

KW - Liquid-liquid equilibrium

KW - Numerical algorithm

KW - Solution models

KW - Thermodynamic stability

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U2 - 10.4067/S0718-07642012000100014

DO - 10.4067/S0718-07642012000100014

M3 - Artículo

SN - 0716-8756

VL - 23

SP - 129

EP - 138

JO - Informacion Tecnologica

JF - Informacion Tecnologica

IS - 1

ER -

Models representación de los equilibrios líquidos multifásicos de sistemas cuaternarios con los modelos NRTL y UNIQUAC

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