Application of a Robust Hybrid Algorithm (Neural Networks-AGDC) for the Determination of Kinetic Parameters and Discrimination among Reaction Mechanisms

摘要

In this paper a Hybrid Algorithm (HA) is applied to determine the kinetic parameters and the discrimination between mechanisms responsible for the development of a chemical reaction. The HA used is formed by a combination of two complementary algorithms that are applied sequentially: the method "soft-modelling" of Artificial Neural Networks (ANN) and the Mathematical Optimization Algorithm, AGDC. The consecutively application of these methods means a great advantage due to the ANN methodology which is a treatment that does not (need to) use initial estimates of the parameters to determine. Initially the soft-modelling ANN methodology is applied and the obtained results are used as initial estimates in the second method (AGDC) that uses these values because it is a gradient optimization method.