Evaluation of Covariance Matrix Adaptation Evolution Strategy, Shuffled Complex Evolution and Firefly Algorithms for phase stability, phase equilibrium and chemical equilibrium problems

• Published in: Chemical engineering research & design 2012-12, Vol.90 (12), p.2051-2071
• Main Authors: Fateen, Seif-Eddeen K., Bonilla-Petriciolet, Adrián, Rangaiah, Gade Pandu
• Format: Article
• Language: English
• Subjects: Algorithms; Applied sciences; Chemical engineering; Chemical equilibrium calculations; Covariant Matrix Adaptation Evolution Strategy; Evolution; Exact sciences and technology; Fireflies; Mathematical analysis; Optimization; Phase equilibrium calculations; Phase stability; Phase stability analysis; Reactors; Shuffled Complex Evolution; Strategy
• ISSN: 0263-8762
• DOI: 10.1016/j.cherd.2012.04.011

► FA, CMA-ES and SCE algorithms were tested in phase equilibrium calculations. ► Their strengths for phase equilibrium and phase stability problems were identified. ► FA was found to be the most reliable among the three techniques. ► CMA-ES can find the global minimum reliably and accurately with fewer iterations. Phase equilibrium calculations and phase stability analysis of reactive and non-reactive systems play a significant role in the simulation, design and optimization of reaction and separation processes in chemical engineering. These challenging problems, which are often multivariable and non-convex, require global optimization methods for solving them. Stochastic global optimization algorithms have shown promise in providing reliable and efficient solutions for these thermodynamic problems. In this study, we evaluate three alternative global optimization algorithms for phase and chemical equilibrium calculations, namely, Covariant Matrix Adaptation-Evolution Strategy (CMA-ES), Shuffled Complex Evolution (SCE) and Firefly Algorithm (FA). The performance of these three stochastic algorithms was tested and compared to identify their relative strengths for phase equilibrium and phase stability problems. The phase equilibrium problems include both multi-component systems with and without chemical reactions. FA was found to be the most reliable among the three techniques, whereas CMA-ES can find the global minimum reliably and accurately even with a smaller number of iterations.