Resumo

LANGE-BREGADO, Jurgen; DAVIDENKO, Natalia  e  RIEUMONT-BRIONES, Jacques. Sensitivity Analysis of the Kinetics Constants of a Mechanism as a Tool to Elucidate the Phenomenology of a Chemical Reaction. Rev Cub Quim [online]. 2014, vol.26, n.1, pp.55-65. ISSN 2224-5421.

Sensitivity analysis is a mathematical tool that allows to obtain a quantitative criterion of which elementary steps do not contribute considerably to the proposed reaction mechanism. In this way, it is possible to be notably simplified a complex kinetic mechanism, and also, to appreciate the influence of parameters (between them kinetics constants) on the model answer. In this analysis, the application of Come’s methodology permits to classify the elementary steps of a mechanism in three category: Non-sensible, Non-determinant, Sensible. The results obtained with this tool in modeling of experimental data in free radical polymerization of furfuryl methacrylate suggest that kinetic mechanism consists mainly of five elementary steps: 1) primary initiation, 2) propagation, 3) degradative transfers (which include intermolecular and primary), 4) re-initiation and 5) cross-termination.

Palavras-chave : mathematical modeling; numerical integration; furfuryl metacrylate; kinetic study.

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