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

Year 2014, Volume: 17 Issue: 1, 1 - 6, 01.02.2014
https://doi.org/10.5541/ijot.76986

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.

References

  • H. Zhang, G. P. Rangaiah, A. Bonilla-Petriciolet, Integrated differential evolution for global optimization and its performance for modeling vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 50, 1004710061, 2011
  • J. H. Holland, Algoritmos geneticos, Investigacion. Y. Ciencia, 192, 38-45, 1992.
  • S. Kirkpatrick, C. D. Gelatt, M. P. Vecchi, Optimization by simulated annealing, Science, 220, 671-680, 1983. K. V. Price, R. M. Storn, J. A. Lampinen, Differential Evolution a practical approach to global optimization, Germany: Springer-Verlag Berlin Heidelberg, 2005. M. K. Singh, T. Banerjee, A. Khanna, Genetic algorithm to estimate interaction parameters of multicomponent systems for liquid–liquid equilibria, Comput. Chem. Eng., 29, 1712–1719, 2005.
  • R. K. Sahoo, T. Banerjee, S. A. Ahmad, A. Khanna, Improved binary parameters using GA for multicomponent aromatic extraction: NRTL model without and with closure equations, Fluid Phase Equilib., 239, 107–119, 2006.
  • (22, 313.2 and 328.2) K, Fluid Phase Equilib., 282, 117–120, 2009.
  • J. García, A. Fernández, J. Torrecilla, M. Oliet, F. Rodríguez, Ternary liquid-liquid equilibria measurement for hexane and benzene with the ionic liquid 1-butyl-3-methylimidazolium methylsulfate at T = (22, 313.2, and 328.2) K, J. Chem. Eng. Data, 55, 258–261, 2010.
  • I. Domínguez, E. J. González, R. González, A. Domínguez, Extraction of benzene from aliphatic compounds using commercial ionic liquids as solvents: study of the liquid-liquid equilibrium at T = 298.15 K, J. Chem. Eng. Data, 56, 3376–3383, 2011.
  • R. M. Maduro, M. Aznar, Liquid–liquid equilibrium of ternary systems 1-butyl-3-methylimidazolium hexafluorophosphate + aromatic + aliphatic, Fluid Phase Equilib., 265, 129–138, 2008.
  • T. M. Letcher, N. Deenadayalu, Ternary liquid–liquid equilibria for mixtures of 1-methyl-3-octyl-imidazolium chloride + benzene + an alkane at T = 298.2 K and 1 atm, J. Chem. Thermodyn., 35, 67–76, 2003.
  • T. M. Letcher, P. Reddy, Ternary (liquid + liquid) equilibria for mixtures of 1-hexyl-3-methylimidazolium (tetrafluoroborate or hexafluorophosphate) + benzene + an alkane at T = 298.2 K and p = 0.1 MPa, J. Chem. Thermodyn., 37, 415–421, 2005.
  • T. Zhou, Z. Wang, L. Chen, Y. Ye, Z. Qi, H. Freund, K. Sundmacher, Evaluation of the ionic liquids 1-alkyl3-methylimidazolium hexafluorophosphate as a solvent for the extraction of benzene from cyclohexane: (Liquid + liquid) equilibria, J. Chem. Thermodyn., 48, 145–149, 20 A. B. Pereiro, A. Rodriguez, Application of ionic liquid Ammoeng 102 for aromatic/aliphatic
Year 2014, Volume: 17 Issue: 1, 1 - 6, 01.02.2014
https://doi.org/10.5541/ijot.76986

Abstract

References

  • H. Zhang, G. P. Rangaiah, A. Bonilla-Petriciolet, Integrated differential evolution for global optimization and its performance for modeling vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 50, 1004710061, 2011
  • J. H. Holland, Algoritmos geneticos, Investigacion. Y. Ciencia, 192, 38-45, 1992.
  • S. Kirkpatrick, C. D. Gelatt, M. P. Vecchi, Optimization by simulated annealing, Science, 220, 671-680, 1983. K. V. Price, R. M. Storn, J. A. Lampinen, Differential Evolution a practical approach to global optimization, Germany: Springer-Verlag Berlin Heidelberg, 2005. M. K. Singh, T. Banerjee, A. Khanna, Genetic algorithm to estimate interaction parameters of multicomponent systems for liquid–liquid equilibria, Comput. Chem. Eng., 29, 1712–1719, 2005.
  • R. K. Sahoo, T. Banerjee, S. A. Ahmad, A. Khanna, Improved binary parameters using GA for multicomponent aromatic extraction: NRTL model without and with closure equations, Fluid Phase Equilib., 239, 107–119, 2006.
  • (22, 313.2 and 328.2) K, Fluid Phase Equilib., 282, 117–120, 2009.
  • J. García, A. Fernández, J. Torrecilla, M. Oliet, F. Rodríguez, Ternary liquid-liquid equilibria measurement for hexane and benzene with the ionic liquid 1-butyl-3-methylimidazolium methylsulfate at T = (22, 313.2, and 328.2) K, J. Chem. Eng. Data, 55, 258–261, 2010.
  • I. Domínguez, E. J. González, R. González, A. Domínguez, Extraction of benzene from aliphatic compounds using commercial ionic liquids as solvents: study of the liquid-liquid equilibrium at T = 298.15 K, J. Chem. Eng. Data, 56, 3376–3383, 2011.
  • R. M. Maduro, M. Aznar, Liquid–liquid equilibrium of ternary systems 1-butyl-3-methylimidazolium hexafluorophosphate + aromatic + aliphatic, Fluid Phase Equilib., 265, 129–138, 2008.
  • T. M. Letcher, N. Deenadayalu, Ternary liquid–liquid equilibria for mixtures of 1-methyl-3-octyl-imidazolium chloride + benzene + an alkane at T = 298.2 K and 1 atm, J. Chem. Thermodyn., 35, 67–76, 2003.
  • T. M. Letcher, P. Reddy, Ternary (liquid + liquid) equilibria for mixtures of 1-hexyl-3-methylimidazolium (tetrafluoroborate or hexafluorophosphate) + benzene + an alkane at T = 298.2 K and p = 0.1 MPa, J. Chem. Thermodyn., 37, 415–421, 2005.
  • T. Zhou, Z. Wang, L. Chen, Y. Ye, Z. Qi, H. Freund, K. Sundmacher, Evaluation of the ionic liquids 1-alkyl3-methylimidazolium hexafluorophosphate as a solvent for the extraction of benzene from cyclohexane: (Liquid + liquid) equilibria, J. Chem. Thermodyn., 48, 145–149, 20 A. B. Pereiro, A. Rodriguez, Application of ionic liquid Ammoeng 102 for aromatic/aliphatic
There are 11 citations in total.

Details

Primary Language English
Journal Section Regular Original Research Article
Authors

Gholamreza Vakili-nezhaad

Mostafa Vatani This is me

Publication Date February 1, 2014
Published in Issue Year 2014 Volume: 17 Issue: 1

Cite

APA Vakili-nezhaad, G., & Vatani, M. (2014). Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems. International Journal of Thermodynamics, 17(1), 1-6. https://doi.org/10.5541/ijot.76986
AMA Vakili-nezhaad G, Vatani M. Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems. International Journal of Thermodynamics. February 2014;17(1):1-6. doi:10.5541/ijot.76986
Chicago Vakili-nezhaad, Gholamreza, and Mostafa Vatani. “Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems”. International Journal of Thermodynamics 17, no. 1 (February 2014): 1-6. https://doi.org/10.5541/ijot.76986.
EndNote Vakili-nezhaad G, Vatani M (February 1, 2014) Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems. International Journal of Thermodynamics 17 1 1–6.
IEEE G. Vakili-nezhaad and M. Vatani, “Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems”, International Journal of Thermodynamics, vol. 17, no. 1, pp. 1–6, 2014, doi: 10.5541/ijot.76986.
ISNAD Vakili-nezhaad, Gholamreza - Vatani, Mostafa. “Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems”. International Journal of Thermodynamics 17/1 (February 2014), 1-6. https://doi.org/10.5541/ijot.76986.
JAMA Vakili-nezhaad G, Vatani M. Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems. International Journal of Thermodynamics. 2014;17:1–6.
MLA Vakili-nezhaad, Gholamreza and Mostafa Vatani. “Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems”. International Journal of Thermodynamics, vol. 17, no. 1, 2014, pp. 1-6, doi:10.5541/ijot.76986.
Vancouver Vakili-nezhaad G, Vatani M. Application of Genetic Algorithm to Calculation of Three-Suffix Margules Parameters in Ternary Extraction Ionic Liquid Systems. International Journal of Thermodynamics. 2014;17(1):1-6.