André L. Alberton

Critical Analysis of Kinetic Modeling Procedures

In this work, issues related to the mathematical modeling and statistical analyses of kinetic data are discussed. Firstly, problems related to the combinatorial explosion of the number of plausible kinetic models are analyzed, when complex reaction mechanisms are taken into consideration and distinct rate determining steps are assumed. Although modeling procedures based on rate-determining steps can lead to oversimplification of kinetic models, these procedures are still very popular because the existence of multiple rate-determining steps usually renders the analytical derivation of kinetic rate expressions impossible. However, if the derived kinetic models are too simple, one can face serious difficulties to fit the proposed models to available experimental data. Secondly, problems related to the statistical analyses of experimental data are discussed. Particularly, very often statistical tools are used even when some of the fundamental assumptions required for their validity are violated. For this reason, the fundamental grounds that support some of the most popular statistical tools are discussed in the framework of the kinetic analysis.