Toluene Mono-nitration in a Semi-batch Reactor

Toluene mono-nitration in a semi-batch reactor was investigated with reaction calorimeter (RC1). The mixed acid HNO3/H2SO4/H2O (wt%) was used in proportion 13/66/21, which is similar to industrial parameters. The exothermic rates at different reaction temperatures were compared, and then the curves of heat generation rate after dosing were analyzed. The Maximal Temperature attainable by runaway of the desired Synthetic Reaction (MTSR) under different conditions were calculated for the course hazard evaluation. The results showed that the average reaction heat of mono-nitration was between 169.07~177.11 kJ mol-1, and the special heat of reactant was about 2 kJ kg-1 K-1. Average Ea of second order kinetic was about 30 kJ mol-1, and reaction rate was 10-4 mol s-1 l-1 order of magnitude when the strength of sulphuric acid was about 73.5%. It was also found that when temperature or stirring speed increases, the potential heat accumulation decreases.