استفاده از الگوریتم ژنتیک در تعیین مؤلفه‌های برهم‌کنش الگو‌های ضریب فعالیت در استخراج مایع- مایع

نویسندگان

دانشگاه گیلان

چکیده

به‌تازگی روشهای بهینه‌سازی، به‌طور گسترده در محاسبات تعادل فازی استفاده شده‌است. از بین این روشها، می‌توان از الگوریتم ژنتیک برای محاسبۀ مؤلفه‌های برهم‌کنش دوتایی الگوهای ضریب فعالیت در سامانه‌‌های تعادلی استفاده کرد. در این مطالعه، با استفاده از الگوریتم ژنتیک، مؤلفه‌های برهم‌کنش 5 الگو ضریب فعالیت شامل مارگولس
2- مؤلفه‌‌ای،3- مؤلفه‌‌ای، ویلسون،
NRTL و UNIQUAC برای 20 سامانۀ تعادلی سه‌جزئی (آب + اسیدهای کربوکسیلیک + حلال‌های آلی) شامل 126 خط رابط حساب شده است. اندازه‌های مؤلفه‌های برهم‌کنش دوتایی این الگوها بههمراه میانگین انحراف مربع ریشه (RMSD) گزارش شدهاست. مقادیر میانگین RMSD سامانه‌‌ها به‌ترتیب الگو‌های مذکور 0298/0، 0067/0، 0114/0، 0025/0 و 0052/0 شده است. نتایج حاکی از این است: به‌جز الگوی مارگولس 2- مؤلفه‌‌ای، بقیۀ الگو‌ها دقت نسبتاً مناسبی دارند. با مقایسۀ میانگین RMSD مقالات در الگو‌های NRTL و UNIQUAC مقدارها به ترتیب از 0124/0 و 0181/0 به 0025/0 و 0052/0 بهبود یافته‌اند.

کلیدواژه‌ها


عنوان مقاله [English]

Application of Genetic Algorithm to the Calculation of Interaction Parameters of Activity Coefficient Models in Liquid-Liquid Extraction

نویسندگان [English]

  • M. J. Ebrahimkhani
  • H. Ghanadzadeh Gilani
University of Guilan
چکیده [English]

Recently, optimization methods have been extensively applied in phase equilibrium calculations. Among these methods, Genetic Algorithm (GA) can be used to calculate the interaction parameters of activity coefficient models in equilibrium systems. In this study, based on the genetic algorithm, the interaction parameters of 5 activity coefficient models (2-suffix Margules, 3-suffix Margules, Wilson, NRTL and UNIQUAC) have been calculated for 20 ternary extraction systems (water + carboxylic acids + organic solvents) including 126
tie-lines. The values of binary interaction parameters of these models along with the root mean square deviations (RMSD) are reported. The mean values of RMSD of the systems in the order of the mentioned models have been calculated 0.0298, 0.0067, 0.0114, 0.0025 and 0.0052, respectively. The results show that all models except 2-suffix Margules model have relatively good accuracy. By comparing the RMSD values in literature and the values determined by GA for NRTL and UNIQUAC models, the RMSD values of the models improved from 0.0124 and 0.0181 to 0.0025 and 0.0052, respectively.

کلیدواژه‌ها [English]

  • Liquid-Liquid Extraction
  • Genetic Algorithm
  • Binary Interaction Parameters
  • Activity Coefficient Model
  • Carboxylic Acid
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