Experiment and Simulations for the Thermal Safety of the Nitration Reaction Liquid of the Final State in the Synthesis Process of N-Nitrodihydroxyethyl Dinitrate (DINA)

In the synthesis process of N-nitrodihydroxyethyl dinitrate (DINA) with the HNO3-Mg(NO3)(2) method, the thermal stability of the nitration reaction liquid of the final state is poor, which leads to the thermal runaway of the entire reaction system easily. The research on the thermal runaway reaction under actual reaction conditions indicates high consumption and high risk. In this article, thermal decomposition behavior and isothermal thermal decomposition kinetics of the nitration reaction liquid of the final state in the synthesis process of DINA were investigated by differential scanning calorimetry (DSC) and microcalorimetry. The mechanism of the stability of the nitration reaction liquid was explored. The thermal safety of the material in a large-scale reactor was simulated and predicted by a thermal simulation software on the basis of kinetic parameters including activation energy, pre-exponential factors, and mechanistic functions. These findings not only avoid the risk and consumption of large-size materials but also guide their application in process optimization, inherent safety design, and handling.