Competition between transport phenomena in a Reaction-Diffusion-Convection system

This doctoral dissertation consists of three main parts.In part one, a general overview of the basic concepts of nonlinear science, nonlinear analysis and non-equilibrium thermodynamics is presented. Kinetics of chemical oscillations and the well known Belousov-Zhabotinsky reaction are also illustrated.In part two, a Reaction-Diffusion-Convection (RDC) model is introduced as a convenient framework for studying instability scenarios by which chemical oscillators are driven to chaos, along with its translation to an opportune code for numerical simulations.In part three, we report the methods and the data obtained. We observe that distinct bifurcation points are found in the oscillating patterns as Diu-sion coecients (di) or Grashof numbers (Gri) vary. Singularly there emerge peculiar bifurcation paths, inscribed in a general scenario of the RTN type, in which quasi{periodicity transmutes into a period-doubling sequence to chemical chaos. The opposite influence exhibited by the two parameters in these transitions clearly indicate that diusion of active species and natural convection are in `competition` for the stability of ordered dynamics. Moreover, a mirrored behavior between chemical oscillations and spatio-temporal dynamics is observed, suggesting that the emergence of the two observables are a manifestation of the same phenomenon. The interplay between chemical and transport phenomena instabilities is at the general origin of chaos for these systems.Further, a molecular dynamics study has been carried out for the calculation of diusion coecients of active species in the Belousov-Zhabotinsky reaction, namely HBrO2and Ce(III), by means of mean square displacement and velocity autocorrelation function. These data have been used for a deeper comprehension of the hydrodynamic competition observed between diusion and convective motions for the stability of the system.