Modelling, mathematical analysis, numerical solution and parameter identification in reaction systems

Resumo

This thesis is divided in three different parts in which an extensive study of reactors is done. It is complemented with three appendices describing some tools and results used . The first part is devoted to the description of the reactors we are interested in. We formulate the models of the main STR reactors. Then, we describe the general convection-diffusion-reaction model. Finally, the FBR model is also described. In second part an extensive study is done for the convection-diffusion-reaction model beginning with the mathematical analysis for the n-dimensional reactor and then numerical solution of the reactor models is designed. The last part deals with the identification of the best kinetic model from a list of proposed functional forms, and also of the values of its corresponding parameters by means of an optimization process. For this purpose, we use a combination of an incremental and an integral method.