Kinetics of Toluene Disproportionation: Modeling and Experiments

This work presents modeling and experimental studies on the kinetics of toluene disproportionation in operation ranges that include real industrial operation conditions. The influence of reaction temperature, reactor pressure, feed composition, and residence time on conversion of reactants and product selectivity was investigated. Experiments were performed according to a sequential experimental design strategy, in order to provide maximum accuracy for model predictions. Statistical treatment of parameter estimates and model adequacy was performed with the help of maximum likelihood principles. Excellent agreement between model predictions and available experimental data was obtained in the full ranges of investigated experimental conditions.