Multivariate non-linear-regression kinetics and thermal simulation of reactions with exothermal decomposition potential

摘要

Experience in kinetic analysis of heterogeneous reactions shows in most cases, that the assumption of a single step process does not apply. Independent, competitive and following reactions are combined in up to 4-step reaction models for a complete description of a heat generating decomposition reaction. The reaction types include n-th order reactions or typical solid state reactions, such as phase boundary or diffusion reactions. The thermal simulations are based on the reliable kinetic parameters, determined for the decomposition process, the thermophysical properties of the sample material and the reactor types, as well as the boundary and start conditions. It will be shown that the combination of DSC measurements with results from highly sensitive micro-calorimeters allows a reliable prediction of the hazardous potential of exothermal decomposition reactions.