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۱Liquid–Liquid Equilibrium Calculations with Two–Suffix Margules Model using Genetic Algorithm for Ternary Systems Containing Aromatic, Aliphatic and Ionic Liquid Components
اطلاعات انتشار: سومین همایش ملی تحقیقات نوین در شیمی و مهندسی شیمی، سال
تعداد صفحات: ۶
The stochastic global optimization methods have been extensively used in fluid phase equilibrium calculations. Among these methods, Genetic Algorithm (GA) has been applied here to calculate the parameters of Two–Suffix Margules activity coefficient model for ionic liquid based systems. This model is nonlinear with several local extrema. GA leads to globally optimum values; it does not require any initial guess and only the lower and upper bounds of the parameters as variables are required. In the present work, based on the GA method, the parameters of this activity coefficient model have been calculated for 20 different extraction systems including 20 different ionic liquids. Values of the parameters along with the root mean square deviations (rmsd) are reported. The obtained results, in terms of rmsd for this model are satisfactory, with the global value of 0.02341 for 172 tie–lines. The rmsd results show that this model can correlate the experimental data of ternary extraction systems containing ionic liquids. It is shown that Two–Suffix Margules activity coefficient model can be applied successfully in ternary liquid extraction systems calculations containing ionic liquids.<\div>

۲Application of Genetic Algorithm to Parameter Estimation in Liquid–Liquid Phase Equilibrium Modeling
اطلاعات انتشار: کنفرانس بین المللی مدل سازی غیر خطی و بهینه سازی، سال
تعداد صفحات: ۶
Parameter estimation problems for liquid–liquid equilibrium data modeling are challenging due to the nonlinearity of thermodynamic models. In this work, the stochastic global optimization technique, namely Genetic Algorithm is applied to calculate the interaction and non randomness parameters of NRTL model. Forty ternary extraction systems containing benzene, hexane and different ionic liquids as solvent at various temperatures reported in literature are selected. The parameters of NRTL model are calculated and the global rmsd value of 0.0076 for 357 tie–lines shows that these parameters can be considered as the global parameters of NRTL model in the studied ternary systems. The global parameters are applied in all systems and rmsd values for them are reported. The results showed that Genetic Algorithm as a powerful and effective tool can be used to optimize highly nonlinear problems in phase equilibrium modeling<\div>

۳Application of Genetic Algorithm to Calculate the Binary Interaction and Non–Randomness Parameters of the NRTL model for Ternary Ionic Liquid Systems
اطلاعات انتشار: هفتمین کنگره ملی مهندسی شیمی، سال
تعداد صفحات: ۹
One of the most important applications of thermodynamics is the accurate prediction of fluid phase equilibria problems related to the real chemical engineering processes. Various equation of states as as well as activity coefficient models have been developed for such calculations with a lotof interaction, size or randomness papameters which should be optimized based on the powerful and effective computational methods. To lead to globally optimal values, genetic algorithm (GA) has been established to predict the binary interaction parameters for multi–component liquid–liquidequilibrium data. GA requires only the lower and upper bounds for the interaction parameters and needs no initial guess. Ionic liquids (ILs) are being regarded favorable solvents for liquid–liquid extraction because of unique properties. In this work, a global optimization procedure based on theGA was developed to calculate the binary interaction and non–randomness parameters of the NRTL activity coefficient model for 30 ternary aromatic extraction systems containing the ionic liquids at various temperatures. The values of binary interaction parameters and root mean square deviation (rmsd) are reported. Comparison of the obtanied results with other estimation methods shows that GA is generally more effective and reliable. In order to confirm the accuracy of the results, the values of rmsd were compared with those reported in the literature.<\div>
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