تعیین پارامترهای برهم‌کنش مدل‌های ضریب‌فعالیت در استخراج مایع ـ مایع با بهینه‌سازی توده ذره ها

نوع مقاله : علمی-پژوهشی

نویسندگان

گروه مهندسی شیمی، دانشکده فنی، دانشگاه گیلان، رشت، ایران

چکیده

به ­تازگی روش‌های بهینه‌سازی فرا ابتکاری به ­طور گسترده در محاسبه ­های تعادل فازی مورد استفاده قرار گرفته است. از بین این روش‌ها، می‌توان از الگوریتم بهینه‌سازی توده ذره ­های (PSO) برای محاسبه پارامترهای برهم‌کنش دوتایی مدل‌های ضریب فعالیت در سامانه‌های تعادلی استفاده کرد. در این مطالعه، با استفاده از الگوریتم بهینه‌سازی توده ذره­ها، پارامترهای برهم‌کنش 5 مدل‌ (مارگولس 2-پارامتری، مارگولس 3-پارامتری، ویلسون، NRTL و UNIQUAC) برای 20 سامانه تعادلی سه‌جزئی (آب + اسیدهای کربوکسیلیک + حلال‌های آلی) شامل 126 خط رابط محاسبه شد.  مقدار پارامترهای برهم‌کنش دوتایی این مدل‌ها به همراه میانگین انحراف مربع ریشه (RMSD)  گزارش شد. مقدار میانگین RMSD سامانه‌ها به‌ترتیب مدل‌های یادشده 0294/0 ، 0041/0 ، 0114/0 ، 0016/0 و 0034/0 شد. نتیجه ­ها بیانگر این است، به‌جز مدل مارگولس 2-پارامتری، دیگر مدل‌ها دقت به ­نسبت مناسبی دارند. با مقایسه میانگین RMSD مقاله ­ها در مدل‌های NRTL و UNIQUAC مقدارها به ترتیب مدل‌ها از 0124/0 و 0181/0 به 0016/0 و 0034/0 بهبود یافته‌اند.

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 [1] Ghanadzadeh Gilani H.,  Ghanadzadeh Gilani A.,  Sangashekan M., Tie-Line Data for the Aqueous Solutions of Phenol with Organic Solvents at T = 298.2 K, J. Nanomat., 58: 142-148 (2013).
[2] Shekarsaraee S. L., Ghanadzadeh Gilani A., Ghanadzadeh Gilani H., Kashef A., Fallahi S., Liquid Phase Equilibria of Aqueous Mixtures of Carboxylic Acids (C1−C4) with Ethylbenzene: Thermodynamic and Mathematical Modelling, J. Chem. & Eng. Data, 61: 3391–3397 (2016).
[3] Ghanadzadeh Gilani A., Azadian M., Tie-Line Data for Water–Formic Acid–1-Decanol Ternary System at T = 298.2, 303.2, 313.2, and 323.2 K, J. Therm. Acta, 547: 141-145 (2012).
[4] Sangashekan M., Asan Sh., Ghanadzadeh Gilani H., Investigation of Eosin B Removal from Aqueous Solution Employing Combined Graphene Oxide Adsorption and Zinc Oxide Coagulation Processes, J. Fib. and Poly., 20: 1411-1417 (2019).
[5] Matlock M. M., Werton B. S., Atwood D. A., Chemical Precipitation of Heavy Metals from Acid Mine Drainage, J. Water Res., 36: 4757-4764 (2002).
[6] Hunsom M., Pruksathorn K., Damronglerd S., Vergnes H., Duverneuil P., Electrochemical Treatment of Heavy Metals (Cu 2+, Cr 6+, Ni 2+) from Industrial Effluent and Modeling of Copper Reduction, J. Water Res., 39: 610-616 (2005).
[7] Maturana H. A., Peric I. M., Rivas B. L., Pooley S. A., Interaction of Heavy Metal Ions with an Ion Exchange Resin Obtained from a Natural Polyelectrolyte, J. Poly. Bull., 67: 669-676 (2011).
[8] Lintomen L., Pinto R. T. P., Batista E., Meirelles A. J. A., Maciel M. R. W., Liquid-Liquid Equilibrium of the Water + Citric Acid + 2-Butanol + Sodium Chloride System at 298.15 K, J. Chem. & Eng. Data, 45: 1211-1214 (2000).
[9] Lintomen L., Pinto R.T.P., Batista E., Meirelles A.J.A., Maciel M.R.W., Liquid-Liquid Equilibrium of the Water + Citric Acid + Short Chain Alcohol + Tricaprylin System at 298.15 K, J. Chem. & Eng. Data, 46: 546-550 (2001).
[10] Wu X. M., Guo H., Soyekwo F., Zhang Q. G., Lin C. X., Liu Q. L., Zhu A.M., Pervaporation Purification of Ethylene Glycol Using the Highly Permeable PIM-1 Membrane,  J. Chem. & Eng. Data, 46: 579−586 (2016).
[11] Yu L., Zhou W., Li Y., Zhou Q., Xu H., Gao B., Wang Zh., Antibacterial Thin-Film Nanocomposite Membranes Incorporated with Graphene Oxide Quantum Dot-Mediated Silver Nanoparticles for Reverse Osmosis Application, J. Sust. Chem. & Eng., 7: 8724-8734 (2019).
[12] González E. J., Calvar N., Gómez E., Domínguez Á., Application of [EMim][ESO 4] Ionic Liquid as Solvent in the Extraction of Toluene from Cycloalkanes: Study of Liquid–Liquid Equilibria at T= 298.15 K, J. Fluid Phase Equil., 303: 174–179 (2011).
[13] Calvar N., Domínguez I., Gómez E., Domínguez Á., Separation of Binary Mixtures Aromatic+ Aliphatic Using Ionic Liquids: Influence of the Structure of the Ionic liquid, Aromatic and Aliphatic, J. Chem. & Eng. Data, 175: 213–221 (2011).
[14] Fandary M. S., Alkhaldi K. H., Al-Jimaz A. S., Al-Rashed M. H., AlTuwaim M. S., Evaluation of [Bmim][PF 6] as an Ionic Solvent for the Extraction of Propylbenzene from Aliphatic Compounds, J. Chem. Thermodynamics, 54: 322–329 (2012).
[15] Corderi S., Calvar N., Gómez E., Domínguez A., Capacity of Ionic Liquids [EMim][NTf2] and [EMpy][NTf2] for Extraction of Toluene from Mixtures with Alkanes: Comparative Study of the Effect of the Cation, J. Fluid Phase Equil., 315: 46–52(2012).
[16] Sahoo R. K., Banerjee T., Ahmad S. A., Khanna A., Improved Binary Parameters using GA for Multi-Component Aromatic Extraction: NRTL Model Without and with Closure Equations, J. Fluid Phase Equil., 239: 107–119 (2006).
[17] Singh M. K., Banerjee T., Khanna A., Genetic Algorithm to Estimate Interaction Parameters of Multicomponent Systems for Liquid–Liquid Equilibria, J. Comp. & Chem. Eng., 29: 1712–1719 (2005).
[18] Sahoo R. K., Banerjee T., Khanna A., UNIQUAC Interaction Parameters with Closure for Imidazolium Based Ionic Liquid Systems Using Genetic Algorithm, Canad. J. Chem. Eng., 85: 833–840 (2007).
[19] Rashtchian D., Ovaysi S., Taghikhani V., Ghotbi C., Application of the Genetic Algorithm to Calculate the Interaction Parameters for Multiphase and Multicomponent Systems, Iran. J. Chemistry and Chemical Eng. (IJCCE), 26(3): 89–96 (2007).
[20] Alvarez V. H., Larico R., Ianos Y., Aznar M., Parameter Estimation for VLE Calculation by Global Minimization: The Genetic Algorithm, Braz. J. Chem. Eng., 25: 409–416 (2008).
[21] Vatani M., Asghari M., Vakili-Nezhaad Gh., Application of Genetic Algorithm to the Calculation of Parameters for NRTL and Two-Suffix Margules Models in Ternary Extraction Ionic Liquid Systems, J. Ind. and Eng. Chem., 18: 1715–1720 (2012).
[22] Kabouche A., Boultif A., Abidi A., Gherraf N., Interaction Parameter Estimation in Liquid–Liquid Phase Equilibrium Modeling using Stochastic and Hybrid Algorithms, J. Fluid Phase Equil., 336: 113– 121 (2012).
[23] Asgarpour M., Hallaji A., Using genetic Algorithm (GA) and Particle Swarm Optimization (PSO) Methods for Determination of Interaction Parameters in Multicomponent Systems of Liquid–Liquid Equilibria, J. Fluid Phase Equil., 365: 141– 145 (2014).
[24] Ghanadzadeh H., Ghanadzadeh A., Saadat S. L. S., Experimental and Correlational Study of Phase Equilibria in Aqueous Solutions of Formic and Butyric Acids with Isoamyl Acetate and Methyl Isoamyl Ketone at T = 298.15 K, J. of Chem. & Eng. Data, 59: 917–925 (2014).
[25] Shekarsaraee S., mohamadizad F., Liquid-Liquid Equilibria for the Aqueous Mixture of C5 Carboxylic Acids and Heavier Than Water Solvents at T = 298.2 K, J. Chem. Thermodynamics, 118: 316–324 (2017).
 [27] Ghanadzadeh A., Amouzadeh F., Ghalami-Choobar B., A Comparative Study of Liquid–Liquid Equilibria for Aqueous Mixtures of Straight Chain and Branched Chain Carboxylic Acids with Methyl Isobutyl Carbinol, J. Chem. Thermodynamics, 143: 16–26 (2020).
[28] Ghanadzadeh A., Ghanadzadeh H., Saadat S. L. S., Nasiri-Touli E., Peer M., Liquid-Liquid Equilibrium data in Aqueous Solutions of Propionic and Butyric Acids with 1-Heptanol at T=(298.15, 308.15, and 318.15) K,  Korean J. Chem. Eng., 33: 1408–1415 (2016).
[29] Ghanadzadeh A., Ghanadzadeh H., Saadat S. L. S., Solubility and Tie Line Data for the Aqueous Solutions of Butyric Acid with 1-Octanol and 2-Ethyl-1-Hexanol at Various Temperatures, J. Fluid Phase Equil., 361: 45– 53 (2014).
[30] Demirel C., Cehreli S., Phase Equilibrium of (Water + Formic or Acetic Acid + Ethyl Heptanoate) Ternary Liquid Systems at Different Temperatures, J. Fluid Phase Equil., 356: 71– 77 (2013).
[31] Seader J. D., Henley E. J., "Separation Process Principles", 2nd ed., John Wiley & Sons, Inc, New York, USA (2006).
[32] Prausnitz J. M., Lechtenthaler R. N. Azevedo E. G., "Molecular Thermodynamics of Fluid Phase Equilibria", 3rd ed., Prentice-Hall, New York, USA (1999).
[33] Kennedy J., Eberhart R., Particle Swarm Optimization, IEEE International Conference on Neural Networks, 4: 1942–1948 (1995).
[34] Bondi A., "Physical Properties of Molecular Crystals Liquids and Glasses", John Wiley and Sons Inc, New York, USA (1968)

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