Abstract
The mathematical modelling and the development of a numerical simulator of a bench-scale batch reactor are presented. The simulator is able to follow the influences of main operating conditions such as stirring, heat exchange and feeding of reactants and to treat complex thermo-kinetic data such as processes involving heterogeneous liquid-liquid reactions. A series of characterization tests were performed to obtain the equipment data required by the simulator and two different reactions were carried out to demonstrate its validity. Finally, the on-line application of the simulator is described by means of the analysis and kinetic parameter estimation of toluene mononitration carried out in semi-batch conditions.
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