Application of genetic algorithm to calculation of three-suffix margules parameters in ternary extraction ionic liquid systems

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4 Citations (Scopus)

Abstract

The genetic algorithm is a powerful and effective tool and can be used to calculate fitting parameters of activity coefficient models in equilibrium systems. In previous work, the parameters of non-random two liquid, (NRTL) and two-suffix Margules models were calculated for 20 ternary extraction ionic liquid systems using the genetic algorithm method. This work is continuation of recent paper, in which the adjustable parameters of three-suffix Margules model have been calculated for considered ternary systems. For each system, the values of adjustable parameters along with the root mean square deviations (rmsd) are calculated. While the overall values of rmsd for 169 tie-lines in NRTL and two-suffix Margules models were 0.0039 and 0.0195 respectively, the overall rmsd value in three-suffix Margules model is 0.0091 and illustrate that also this model can be useful in prediction of phase behavior of liquid-liquid equilibrium in these systems.

Original languageEnglish
Pages (from-to)1-6
Number of pages6
JournalInternational Journal of Thermodynamics
Volume17
Issue number1
DOIs
Publication statusPublished - Mar 2014

Fingerprint

Ionic liquids
genetic algorithms
Genetic algorithms
liquids
Liquids
deviation
Activity coefficients
Ternary systems
Phase behavior
ternary systems
coefficients
predictions

Keywords

  • Genetic algorithm
  • Ionic liquid
  • Liquid-liquid equilibrium
  • Parameter estimation
  • Three-suffix Margules model

ASJC Scopus subject areas

  • Engineering(all)
  • Condensed Matter Physics

Cite this

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title = "Application of genetic algorithm to calculation of three-suffix margules parameters in ternary extraction ionic liquid systems",
abstract = "The genetic algorithm is a powerful and effective tool and can be used to calculate fitting parameters of activity coefficient models in equilibrium systems. In previous work, the parameters of non-random two liquid, (NRTL) and two-suffix Margules models were calculated for 20 ternary extraction ionic liquid systems using the genetic algorithm method. This work is continuation of recent paper, in which the adjustable parameters of three-suffix Margules model have been calculated for considered ternary systems. For each system, the values of adjustable parameters along with the root mean square deviations (rmsd) are calculated. While the overall values of rmsd for 169 tie-lines in NRTL and two-suffix Margules models were 0.0039 and 0.0195 respectively, the overall rmsd value in three-suffix Margules model is 0.0091 and illustrate that also this model can be useful in prediction of phase behavior of liquid-liquid equilibrium in these systems.",
keywords = "Genetic algorithm, Ionic liquid, Liquid-liquid equilibrium, Parameter estimation, Three-suffix Margules model",
author = "Gholamreza Vakili-Nezhaad and Mostafa Vatani and Gujarathi, {Ashish M.}",
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AU - Vakili-Nezhaad, Gholamreza

AU - Vatani, Mostafa

AU - Gujarathi, Ashish M.

PY - 2014/3

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N2 - The genetic algorithm is a powerful and effective tool and can be used to calculate fitting parameters of activity coefficient models in equilibrium systems. In previous work, the parameters of non-random two liquid, (NRTL) and two-suffix Margules models were calculated for 20 ternary extraction ionic liquid systems using the genetic algorithm method. This work is continuation of recent paper, in which the adjustable parameters of three-suffix Margules model have been calculated for considered ternary systems. For each system, the values of adjustable parameters along with the root mean square deviations (rmsd) are calculated. While the overall values of rmsd for 169 tie-lines in NRTL and two-suffix Margules models were 0.0039 and 0.0195 respectively, the overall rmsd value in three-suffix Margules model is 0.0091 and illustrate that also this model can be useful in prediction of phase behavior of liquid-liquid equilibrium in these systems.

AB - The genetic algorithm is a powerful and effective tool and can be used to calculate fitting parameters of activity coefficient models in equilibrium systems. In previous work, the parameters of non-random two liquid, (NRTL) and two-suffix Margules models were calculated for 20 ternary extraction ionic liquid systems using the genetic algorithm method. This work is continuation of recent paper, in which the adjustable parameters of three-suffix Margules model have been calculated for considered ternary systems. For each system, the values of adjustable parameters along with the root mean square deviations (rmsd) are calculated. While the overall values of rmsd for 169 tie-lines in NRTL and two-suffix Margules models were 0.0039 and 0.0195 respectively, the overall rmsd value in three-suffix Margules model is 0.0091 and illustrate that also this model can be useful in prediction of phase behavior of liquid-liquid equilibrium in these systems.

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