Litzmann O., Grützner T., Merz T., Mueller C., Wozny G., Repke J.-U., 2012, Reconnaissance of Reaction Networks and Kinetics by New Combination of Analytical Techniques, Chemical Engineering Transactions, 29, 997-1002.
The proper description of reaction networks and the underlying reaction kinetics are crucial points for the design of new chemical processes. Even in the case of well known reaction mechanisms, the solvents or side products may have significant influence on the reaction path and kinetic. This paper describes an industrial relevant reaction for which preliminary investigations have revealed a system of reactants and solvent that is leading to a satisfactory yield. In order to scale up a reactor concept the reaction path and kinetic had to be explained. Therefore a method was developed which combines online-Raman-spectroscopy with offline quantitative nuclear magnetic resonance measurements for the hydrogen atoms (1H-QNMR). Combining these methods and using statistical methods like principal components analysis an autocatalytic effect could be detected and described in the reaction model. The model parameters are fitted to the experiments so the model can be used for the scale up from the lab scale. The paper presents the experimental set-up as well as the mathematical development of the reaction model.
