Badanie ciepła reakcji i kinetyki nitrowania 1,2,4-triazol-5-onu (TO)

W pracy dokonano pomiaru efektów cieplnych procesów nitrowania i rozpuszczania 1,2,4-triazol-5-onu (TO) w środowisku kwasowym. W badaniach wykorzystano kalorymetr reakcyjny. Kinetykę nitrowania badano techniką spektrofotometrii UV-VIS. Zaproponowano model kinetyki procesu syntezy 3-nitro-1,2,4-triazol-5-onu (NTO) i zastosowano go do symulacji zjawisk występujących w kalorymetrze i reaktorze. Porównano dane doświadczalne z wynikami modelowania i wyznaczano parametry równania Arrheniusa dla nitrowania TO w zastosowanych mieszaninach kwasów.

In the paper, the effects of heat and dissolving processes of nitration of 1,2,4-triazol-5-one (TO) in an acidic environment were measured. The reaction calorimeter was used for the study. The kinetics of TO nitration in a 200-ml reactor was investigated by the use of a UV-VIS technique. Determined heat of TO nitration in the mixture of HNO₃/H₂SO₄/H₂O 60/40/40 was 1320 J/g, while in the case of nitration with 70% HNO₃, the heat was 1195 J/g. Heat of solution of TO in concentrated sulfuric acid was 576 J/g for 95% H₂SO₄ and 256 J/g for 80% H₂SO₄. The total heat of nitration in the mixture HNO₃/H₂SO₄/H₂O consists of the heat effects of TO solution and its nitration. A model of kinetics of synthesis of 3-nitro-1,2,4-triazol-5-one (NTO) was proposed and it was used to simulate the phenomena occurring in the calorimeter and in the reactor. The experimental data were compared with modelling results and parameters of Arrhenius equation for synthesis of NTO in the used nitration mixtures were determined.