Genetic algorithm to estimate interaction parameters of multicomponent systems for liquid–liquid equilibria

A modified differential evolution algorithm (MDE) has been used for solving different process related design problems (namely calculation of the NRTL and Two-Suffix Margules activity coefficient models parameters in 20 ternary extraction systems including different ionic liquids and reactor network design problem). The obtained results, in terms of root mean square deviations (rmsd) for these models are satisfactory, with the overall values of 0.0023 and 0.0170 for 169 tie-lines for NRTL and Two-Suffix Margules models, respectively. The results showed that the MDE algorithm results in better solutions compared to the previous work based on genetic algorithm (GA) for correlating liquid-liquid equilibrium (LLE) data in these systems. MDE also outperformed DE algorithm when tested on reactor network design problem with respect to convergence and speed.

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“…NRTL and UNIQUAC) (Singh et al 2005). They proved that their results were better than local search methods.…”

Section: Introductionmentioning

confidence: 87%

Optimization of Process Design Problems Using Differential Evolution Algorithm

2016

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“…The molecular interaction-based model of UNIQUAC successfully has correlated many LLE data of ternary and quaternary systems [10,[15][16][17]24] within Aspen Plus-for example, see Table 5; however, as previously mentioned, during the last 10 years, many LLE-based algorithm-GA, SA, and BA-have been developed and introduced in the literature [57,60,61]. Recently, a study on improved binary parameters using GA for ternary mixtures: UNIQUAC model has been carried out by Hamidi [63].…”

Section: Phosphoric Acid Industry -Problems and Solutionsmentioning

confidence: 99%

“…Many NRTL LLE values for the ternary and quaternary systems containing water, phosphoric acid, and solvent have appeared in the available literature [11,16,17]. For example, in Figure 3, the calculated NRTL data have been used to plot and show the variation of distribution coefficients of acid for (water þ phosphoric acid þ mixed-solvent (DCM þ DCE)) system at temperature T ¼ 298.15 K. Furthermore, several optimization algorithms such as genetic algorithm (GA) [57], bee algorithm (BA) [58], and simulated annealing (SA) [59] can be applied to predict the binary interaction parameters. As can be seen in Table 3, the SA and NRTL models have been used to estimate the optimized binary interaction parameters for an aqueous ternary system containing phosphoric acid [60].…”

Section: Nrtl Equationmentioning

confidence: 99%

Purification of Phosphoric Acid by Liquid‐Liquid Equilibrium

Bahrpaima¹

2017

Phosphoric Acid Industry - Problems and Solutions

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Various ternary and quaternary liquid-liquid phase equilibrium data for water þ phosphoric acid þ solvent(s) have been reported. Salting-out, solvent, and temperature effects on the binodal curve and the tie lines have been highlighted and the capability of solvents with different functional groups to extract phosphoric acid from water has been compared. Studying of influence of magnetic, electromagnetic, and ultrasonic fields on the separation factors and distribution coefficients of aqueous phosphoric acid mixtures has been proposed. Moreover, a summary of the optimized binary interaction values, which resulted from non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) thermodynamic models using genetic algorithm (GA), bee algorithm (BA), and simulated annealing (SA), has been presented. Group method of data handling (GMDH) and linear solvation energy relationship (LSER) methods for the correlation of experimental liquid-liquid equilibrium (LLE) data have been used.

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“…Recently, Singh et al [5] utilized GA to estimate the binary interaction parameters for NRTL and UNIQUAC models in multi-component LLE systems and demonstrated that their performance was better than inside variance estimation method (IVEM) and the techniques applied in ASPEN and DECHEMA. Sahoo et al [6,7] calculated the interaction parameters for NRTL and UNIQUAC models in ternary, quaternary and quinary LLE systems based on GA and showed that the results obtained using GA were better than other techniques in literature.…”

Section: Introductionmentioning

confidence: 99%

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

Vakili‐Nezhaad¹,

Vatani²

2014

Int. J. Thermo

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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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Genetic algorithm to estimate interaction parameters of multicomponent systems for liquid–liquid equilibria

Cited by 61 publications

References 13 publications

Optimization of Process Design Problems Using Differential Evolution Algorithm

Optimization of Process Design Problems Using Differential Evolution Algorithm

Purification of Phosphoric Acid by Liquid‐Liquid Equilibrium

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

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