Parameter estimation and optimal experimental design in flow reactors [Elektronische Ressource] / vorgelegt von Thomas Carraro

INAUGURAL-DISSERTATIONzurErlangung der DoktorwurdederNaturwissenschaftlich-Mathematischen Gesamtfakult atderRuprecht-Karls-Universit atHeidelbergvorgelegt vonDiplom-Ingenieur Thomas Carraroaus: Castelfranco V.to, ItalienTag der mundlic hen Prufung: 30.11.2005Parameter estimation and optimalexperimental design in o w reactorsGutachter: Professor Dr. Rolf RannacherProfessor Dr. Vincent HeuvelineiAbstractIn this work we present numerical techniques for the simulation of reactive o ws in a chemi-cal reactor as well as for the identi cation of the kinetic of the reactions, using measurementsof observable quantities. In this context we introduce methods for the optimal design ofexperiments.We present a model to simulate the detailed interplay between o w variables and thosevariables that describe the chemistry. We consider a model for the o w motion in the regimeof low Mach number, where the velocity of the o w is much slower than the sound speed,to exploit the advantage of this phenomenology.For the solution of the system of equations we consider the nite elements method forthe discretization in space. The resulting nonlinear system of equations is time dependentand we are interested in the transitory phase during the reaction. The system has the char-acteristic of being sti , this suggests the use of implicit methods for the solution in time.