Retrieval of kinetic rates in reactions with semi batch liquid phase using ill-posed inverse problem theory

• Autor(a) principal: Borges, Emílio
• Data de Publicação: 2010
• Outros Autores: Virtuoso, Luciano S., Braga, João Pedro, Sebastião, Rita C. O.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: LOCUS Repositório Institucional da UFV
• Texto Completo: http://dx.doi.org/10.1590/S0100-40422011000200008; http://www.locus.ufv.br/handle/123456789/17898
• topic: Kinetic; Ill-posed inverse problem; Dynamical optimization

A neural network procedure to solve inverse chemical kinetic problems is discussed in this work. Rate constants are calculated from the product concentration of an irreversible consecutive reaction: the hydrogenation of Citral molecule, a process with industrial interest. Simulated and experimental data are considered. Errors in the simulated data, up to 7% in the concentrations, were assumed to investigate the robustness of the inverse procedure. Also, the proposed method is compared with two common methods in nonlinear analysis; the Simplex and Levenberg-Marquardt approaches. In all situations investigated, the neural network approach was numerically stable and robust with respect to deviations in the initial conditions or experimental noises.