In chemical industries, fast and strongly exothermic reactions are often to be carried out to
synthesize a number of intermediates and final desired products. Such processes can exhibit a phenomenon
known as \u201cthermal runaway\u201d that consists in a reactor temperature loss of control.
During the course of the years, lots of methods, aimed to detect the set of operating parameters (e.g., dosing
times, initial reactor temperature, coolant temperature, etc..) at which such a dangerous phenomenon can
occur, have been developed. Moreover, in the last few years, the attention has been posed on safe process
optimization, that is how to compute the set of operating parameters able to ensure high reactor productivity
and, contextually, safe conditions.
To achieve this goal, with particular reference to industrial semibatch synthesis carried out using both
isothermal and isoperibolic temperature control mode, a dedicated optimization software has been
implemented. Such a software identifies the optimum set of operating parameters using a topological
criterion able to bind the so-called \u201cQFS region\u201d (where reactants accumulation is low and all the heat
released is readily removed by the cooling equipment) and, then, iteratively searching for the constrained
system optimum. To manage the software, only a few experimental parameters are needed; essentially:
heat(s) of reaction, apparent system kinetics (Arrhenius law), threshold temperature(s) above which
unwanted side reactions, decompositions or boiling phenomena are triggered, heat transfer coefficients and
reactants heat capacities. Such parameters can be obtained using simple calorimetric techniques (DSC, ARC,
RC1, etc..). Over the optimization section, the software posses a simulation section where both normal and
upset operating conditions (such as pumps failure and external fire) can be tested
