Kinetic Modelling Of Complex Reforming Reaction Networks On Platinum – Alumina And Silica - Alumina Catalysts.

ABSTRACT

The kinetic analysis of three complex reaction networks of catalytic reforming reaction systems has been studied. The complex systems of reaction networks were first fashioned into a system of single reactions. Each single reaction is then delineated into a sequence of elementary reaction steps. The principles of rate determining step, steady state approximations and microscopic reversibility were then involved for necessary simplifications

Kinetic and equilibrium parameters for models of complex chemical reaction kinetics must be determined prior to use in analysis, simulation and reactor design. Innumerable ways have been suggested to obtain the best estimates of these parameters from experimental data for any proposed model. Some of the methods are only successful for small reactions describable by simple rate equations and are often not feasible for most realistic and complex reactions

Integration of simple rate equations can be performed analytically leading to simple expressions for the time-concentrations profiles. However, for many complex systems of reaction networks, a search for an analytical solution can be demanding, challenging and a tremendously arduous or completely elusive. Furthermore, because of the complexity of the integrated time-concentration profile, more than one set of rate constants arise leading to a local minimum. In order to obviate the numerous dangers inherent in some of the procedures for simulating kinetic data, the Tikhonov regularization algorithm was used in this work for the conversion of concentration - time data directly into the concentration - reaction rate data without going through any rate mechanism or model. Tikhonov regularization is a relatively complicated mathematical technique which has proven very successful for solving practical inverse problems.