Thermodynamic Calculations Using a Simulated Annealing Optimization Algorithm <br>

Thermodynamic Calculations Using a Simulated Annealing Optimization Algorithm

Abstract:

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 of this optimization method for other thermodynamic calculations. Its reliability and efficiency are tested using phase equilibrium and parameter estimation problems. The obtained results indicate that proposed method is generally robust for the global minimization of the objective functions involved in flash calculations using Gibbs energy minimization and in the calculation of homogeneous azeotropes in non-reactive mixtures. However, this method is not suitable for data correlation in electrolyte systems. Finally, it requires a reasonable computational time for solving these thermodynamic problems. Keywords: Global optimization, Simulated Annealing, Thermodynamic calculations

Issue: 2007, Volume 58, Issue 4

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This article is published under the Creative Commons Attribution 4.0 International License

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