Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems

Abstract

Genetic Algorithm as a powerful and effective tool can be used to calculate fitting parameters of activity coefficient models in equilibrium systems. In the previous work, the parameters of 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

• Liquid-liquid equilibrium; ionic liquid; genetic algorithm; three-suffix Margules model; parameter estimation.

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