J. Phys. IV France 12 (2002) Pr7-299
Evaluation of dinitration energetic and kinetic parameters in a calorimetric reactorL. Balland1, J.-M. Cosmao1, J.-P. Hebert1, L. Estel1 and O. Besnard2
1 Laboratoire des Risques Chimiques et Procédés, INSA Rouen, BP. 08, 76131 Mont-Saint-Aignan, France
2 CEA Le Ripault, Explosives Division, BP. 16, 37260 Monts, France
An aromatic compound dinitration reaction was studied for the settling of an industrial process. The study was realized in a calorimetric reactor establishing the power balance on the reaction mixture every two seconds. A software developed in the laboratory allows us to calculate the profile of power from a kinetic model. A parameters estimation method is based on a genetic algorithm coupled with a locally convergent method. The kinetic and energy parameters were also estimated. The first nitration leads to compounds ortho (8 %) and para (92 %) nitrated. The kinetic of this first nitration is very fast and superior at the speed reagent addition. The kinetics of second nitration of ortho and para nitrated compounds were differentiated.
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