Kinetic Study of Homogeneous Alkene Hydrogenation by Model Discrimination

Model discrimination is one of the methods of choice to obtain a valid kinetic description of a catalytic reaction with minimal experimental effort. It allows fast judgement of catalyst behavior and its suitability for process development. Using dynamic experiments and modeling, the kinetics of a homogeneous hydrogenation with cationic rhodium-PyrPhos {[Rh(PyrPhos)(COD)]BF4} were investigated. A set of three batch experiments allowed the discrimination between 6 models. Qualitative and quantitative descriptions of the kinetic behavior could be derived. Most importantly, evidence for catalyst deactivation was gained.