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Thermodynamics

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Selected Works

2007

Articles 1 - 5 of 5

Full-Text Articles in Chemical Engineering

Reliable Initialization Strategy For The Equal Area Rule In Flash Calculations Of Ternary Systems, Adrian Bonilla-Petriciolet Jan 2007

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.

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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 Jan 2007

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.

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Modeling, Simulation, And Optimization Of The Catalytic Reactor For Methanol Oxidative Dehydrogenation, Seif-Eddeen K. Fateen Jan 2007

Modeling, Simulation, And Optimization Of The Catalytic Reactor For Methanol Oxidative Dehydrogenation, Seif-Eddeen K. Fateen

Seif-Eddeen K Fateen

No abstract provided.

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Thermodynamic Calculations Using A Simulated Annealing Optimization Algorithm, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández, Florianne Castillo-Borja, Ulises I. Bravo-Sánchez Dec 2006

Thermodynamic Calculations Using A Simulated Annealing Optimization Algorithm, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández, Florianne Castillo-Borja, Ulises I. Bravo-Sánchez

Adrian Bonilla-Petriciolet

This paper reports the application and evaluation of a Simulated Annealing – type stochastic optimization method in several thermodynamic calculations for Chemical Engineering. This method is a modified version of the Direct Search Simulated Annealing proposed by Ali et al. [12] which is a memory-based algorithm that associates a set of points with a Markov chain and uses a probabilistic point generation mechanism. It uses a modified Metropolis criterion and an adaptive cooling schedule. Until now, it has been successfully applied in phase stability analysis of non-reacting and reacting mixtures. Considering these results, we have decided to extend the application …

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Thermodynamic Calculations For Chemical Engineering Using A Simulated Annealing Optimization Method, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández, Florianne Castillo-Borja, Ulises I. Bravo-Sánchez Dec 2006

Thermodynamic Calculations For Chemical Engineering Using A Simulated Annealing Optimization Method, Adrian Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández, Florianne Castillo-Borja, Ulises I. Bravo-Sánchez

Adrian Bonilla-Petriciolet

In this paper, a memory-based Simulated Annealing is proposed to solve several thermodynamic calculations that are related to the modeling of phase equilibrium and thermodynamic properties. Specifically, we have tested the numerical performance of this optimization method in Gibbs energy minimization for flash calculations, calculation of homogeneous azeotropes and data fitting in thermodynamic models. Our results indicate that, in general, proposed method is reliable to solve these problems and shows a reasonable computational effort.

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