Process optimization and thermal risk analysis for 1,3,5-trihydroxy-2,4,6-trinitrobenzenen synthesis

Abstract

Abstract 1,3,5-Trihydroxy-2,4,6-trinitrobenzene (TNPG) is an important precursor material for high-performance explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). In this work, TNPG was synthesized by nitration of phloroglucinol (PG) using the nitrating agent of ammonium nitrate (AN) and sulfuric acid (H2SO4) mixture. The reaction rate and thermodynamics of the nitration reaction was studied. On the basis of a series of reaction calorimetry experiments and thermal stability tests, the feeding sequence and reaction temperature were optimized. The feed sequence of dosing PG/H2SO4 solution into the AN/H2SO4 solution is better than the opposite feed sequence. The best reaction temperature is at 5°C. The highest yield of ˜93% TNPG was obtained. In addition, the thermal risk analysis revealed that the thermal risk at the optimal operating condition was low.