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

Journal of Industrial and Engineering Chemistry, Vol.18, No.5, 1715-1720, September, 2012

DOI10.1016/j.jiec.2012.03.008 Export Citation

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

Mostafa Vatani^{1, 2}, Morteza Asghari², and Gholamreza Vakili-Nezhaad^{1, 2, †}

¹Department of Petroleum and Chemical Engineering, College of Engineering, Sultan Qaboos University, P.O. Box: 33, Muscat 123, Oman
²Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan, P.O. Box: 87317-51167, Iran

E-mail:

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.

Keywords:Genetic Algorithm;NRTL;Two-Suffix Margules;Parameter estimation;Liquid.liquid equilibrium;Ionic liquid

[References]

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Hansmeier AR, Minoves Ruiz M, Meindersma GW, de Haan AB, J. Chem. Eng.Data., 55, 708 (2010)
Garcı´a J, Garcı´a S, Torrecilla J, Oliet M, Rodrı´guez F, J. Chem. Eng. Data., 55, 2862 (2010)
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[2] Sahoo RK, Banerjee T, Ahmad SA, Khanna A, Fluid Phase Equilib., 239(1), 107 (2006)

[3] Holland JH, Investigacion. Y. Ciencia., 38 (1992)

[4] Kirkpatrick S, Gelatt CD, Vecchi MP, Science., 220, 671 (1983)

[5] Price KV, Storn RM, Lampinen JM, Differential Evolution: A Practical Approach to Global Optimization, Springer-Verlag, Berlin Heidelberg, Germany (2005)

[6] Singh MK, Banerjee T, Khanna A, Comput. Chem. Eng., 29(8), 1712 (2005)

[7] Sahoo RK, Banerjee T, Khanna A, Can. J. Chem. Eng., 85(6), 833 (2007)

[8] Rashtchian D, Ovaysi S, Taghikhani V, Ghotbi C, Iran. J. Chem. Chem. Eng., 26, 89 (2007)

[9] Alvarez VH, Larico R, Ianos Y, Aznar M, Braz. J. Chem. Eng., 25, 409 (2008)

[10] Marsh KN, Boxall JA, Lichtenthaler R, Fluid Phase Equilib., 219(1), 93 (2004)

[11] Lei ZG, Zhang JG, Li QS, Chen BH, Ind. Eng. Chem. Res., 48(5), 2697 (2009)

[12] Preechakul C, Kheawhom S, J. Ind. Eng. Chem., 15(1), 110 (2009)

[13] Genetic Algorithm and Direct Search Toolbox Users Guide, Copyright by the Math Works, Inc., 2004-2006.

[14] Seader JD, Henley EJ, Separation Process Principles, second ed., John Wiley & Sons, Inc., New York (2006)

[15] Renon H, Prausnitz JM, AIChE J., 14, 135 (1968)

[16] Prausnitz JM, Lichtenthaler RN, Azevedo EG, Molecular Thermodynamics of Fluid Phase Equilibria, third ed., Prentice-Hall, New York (1999)

[17] Alkhaldi KHAE, Al-Tuwaim MS, Fandary MS, Al-Jimaz AS, Fluid Phase Equilib., 309(1), 102 (2011)

[18] Hansmeier AR, Jongmans M, Meindersma GW, de Haan AB, J. Chem. Thermodyn., 42(4), 484 (2010)

[19] Garcia J, Fernandez A, Torrecilla JS, Oliet M, Rodriguez F, Fluid Phase Equilib., 282(2), 117 (2009)

[20] Garcı´a J, Ferna´ ndez A, Torrecilla J, Oliet M, Rodrı´guez F, J. Chem. Eng. Data., 55, 258 (2010)

[21] Revelli AL, Mutelet F, Jaubert JN, J. Phys. Chem. B, 114(13), 4600 (2010)

[22] Domı´nguez I, Gonza´ lez EJ, Gonza´ lez R, Domı´nguez A, J. Chem. Eng. Data., 56, 3376 (2011)

[23] Maduro RM, Aznar M, Fluid Phase Equilib., 265(1-2), 129 (2008)

[24] Letcher TM, Deenadayalu N, J. Chem. Thermodyn., 35(1), 67 (2003)

[25] Letcher TM, Reddy P, J. Chem. Thermodyn., 37(5), 415 (2005)

[26] Zhou T, Wang Z, Chen L, Ye Y, Qi Z, Freund H, Sundmacher K, J. Chem.Thermodyn., 48, 145 (2012)

[27] Pereiro AB, Rodriguez A, J. Chem. Thermodyn., 41(8), 951 (2009)

[28] Hansmeier AR, Minoves Ruiz M, Meindersma GW, de Haan AB, J. Chem. Eng.Data., 55, 708 (2010)

[29] Garcı´a J, Garcı´a S, Torrecilla J, Oliet M, Rodrı´guez F, J. Chem. Eng. Data., 55, 2862 (2010)

[30] Selvan MS, McKinley MD, Dubois RH, Atwood JL, J. Chem. Eng. Data., 45, 841 (2000)

[31] Gutierrez JP, Meindersma W, de Haan AB, J. Chem. Thermodyn., 43(11), 1672 (2011)

[32] Maduro RM, Aznar M, Fluid Phase Equilib., 296(2), 88 (2010)

[33] Domanska U, Pobudkowska A, Krolikowski M, Fluid Phase Equilib., 259(2), 173 (2007)