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Reliable Initialization Strategy For The Equal Area Rule In Flash Calculations Of Ternary Systems, Adrian Bonilla-Petriciolet
Reliable Initialization Strategy For The Equal Area Rule In Flash Calculations Of Ternary Systems, Adrian Bonilla-Petriciolet
Adrian Bonilla-Petriciolet
In this paper, we describe a new approach for the initialization and application of the Equal Area Rule (EAR) algorithm in flash calculations of ternary systems. Specifically, the composition vector that globally minimizes the Tangent Plane Distance Function is used to estimate good initial values for the tie-line vector used in the EAR algorithm. We have applied this strategy in flash calculations of several ternary systems including polymer mixtures and our results show that the proposed approach is robust and efficient for the initialization of EAR algorithm.
The Performance Of Simulated Annealing In Parameter Estimation For Vapor-Liquid Equilibrium Modeling, Adrian Bonilla-Petriciolet, Ulises I. Bravo-Sánchez, Florianne Castillo-Borja, Javier G. Zapiain-Salinas, Juan José Soto-Bernal
The Performance Of Simulated Annealing In Parameter Estimation For Vapor-Liquid Equilibrium Modeling, Adrian Bonilla-Petriciolet, Ulises I. Bravo-Sánchez, Florianne Castillo-Borja, Javier G. Zapiain-Salinas, Juan José Soto-Bernal
Adrian Bonilla-Petriciolet
In this paper we report the application and evaluation of the simulated annealing (SA) optimization method in parameter estimation for vapor-liquid equilibrium (VLE) modeling. We tested this optimization method using the classical least squares and error-in-variable approaches. The reliability and efficiency of the data-fitting procedure are also considered using different values for algorithm parameters of the SA method. Our results indicate that this method, when properly implemented, is a robust procedure for nonlinear parameter estimation in thermodynamic models. However, in difficult problems it still can converge to local optimums of the objective function.