Application of Genetic Algorithm to the calculation of parameters for NRTL and Two-Suffix Margules models in ternary extraction ionic liquid systems

Mostafa Vatani, Morteza Asghari, Gholamreza Vakili-Nezhaad

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

The stochastic global optimization methods have been extensively used in the fluid phase equilibrium calculations. Among these methods, Genetic Algorithm (GA) can be applied to calculate fitting parameters of activity coefficient models in equilibrium systems. In the present work, based on the GA method, the parameters of NRTL and Two-Suffix Margules models have been calculated for 20 ternary extraction systems containing ionic liquids. The values of the parameters of these models along with the root mean square deviations (rmsd) are reported. The obtained results, in terms of rmsd for these models are satisfactory, with the overall values of 0.0039 and 0.0195 for 169 tie-lines for NRTL and Two-Suffix Margules models, respectively.

Original languageEnglish
Pages (from-to)1715-1720
Number of pages6
JournalJournal of Industrial and Engineering Chemistry
Volume18
Issue number5
DOIs
Publication statusPublished - Sep 25 2012

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Ionic Liquids
Ionic liquids
Genetic algorithms
Activity coefficients
Global optimization
Phase equilibria
benzoylprop-ethyl
Fluids

Keywords

  • Genetic Algorithm
  • Ionic liquid
  • Liquid-liquid equilibrium
  • NRTL
  • Parameter estimation
  • Two-Suffix Margules

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

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abstract = "The stochastic global optimization methods have been extensively used in the fluid phase equilibrium calculations. Among these methods, Genetic Algorithm (GA) can be applied to calculate fitting parameters of activity coefficient models in equilibrium systems. In the present work, based on the GA method, the parameters of NRTL and Two-Suffix Margules models have been calculated for 20 ternary extraction systems containing ionic liquids. The values of the parameters of these models along with the root mean square deviations (rmsd) are reported. The obtained results, in terms of rmsd for these models are satisfactory, with the overall values of 0.0039 and 0.0195 for 169 tie-lines for NRTL and Two-Suffix Margules models, respectively.",
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AU - Vatani, Mostafa

AU - Asghari, Morteza

AU - Vakili-Nezhaad, Gholamreza

PY - 2012/9/25

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AB - The stochastic global optimization methods have been extensively used in the fluid phase equilibrium calculations. Among these methods, Genetic Algorithm (GA) can be applied to calculate fitting parameters of activity coefficient models in equilibrium systems. In the present work, based on the GA method, the parameters of NRTL and Two-Suffix Margules models have been calculated for 20 ternary extraction systems containing ionic liquids. The values of the parameters of these models along with the root mean square deviations (rmsd) are reported. The obtained results, in terms of rmsd for these models are satisfactory, with the overall values of 0.0039 and 0.0195 for 169 tie-lines for NRTL and Two-Suffix Margules models, respectively.

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