Synthesis, characterization, pyrolysis and thermokinetic studies of an energetic ionic liquid: 4-amino-1-methyl-1,2,4-triazolium nitrate

• A promising energetic ionic liquid viz., 4-amino-1-methyl-1,2,4-triazolium nitrate (AMTN) was synthesized and characterized by FT-IR, elemental, TG, LC-MS and ESI-MS analyses. • Thermal decomposition kinetics of AMTN was studied under non-isothermal conditions and the dependence of activation energy with conversion was evaluated using a model-free method. • The primary decomposition products under pyrolysis conditions were identified, and a detailed pyrolysis mechanism and decomposition pathway for AMTN is proposed and reported here for the first time. • The thermochemistry of AMTN was explored theoretically by computational method and its physiochemical and thermodynamic properties were evaluated. Energetic ionic liquids (EILs) are continuously being explored in the field of energetic materials and are attractive candidates for use in explosives and propellants. A promising energetic ionic liquid viz., 4-amino-1-methyl-1,2,4-triazolium nitrate (AMTN) was synthesized and characterized by FT-IR, elemental, TG, LC-MS and ESI-MS analyses. The thermal decomposition of AMTN was studied by non-isothermal thermogravimetric analysis (TGA) under variable heating rates from 5 to 20 °C/min. The TG data of AMTN showed a single stage decomposition in the temperature range of 180-260 ° C. Pyrolysis GC-MS studies were undertaken at 300 ° C and the major decomposition fragments were identified as nitrous oxide (N 2 O), aziridine 1-amine, 1,2,3-triazine and 1-methyl-1,2,4-triazole and a mechanism was evolved. The activation energy (E a ) for the thermal decomposition of AMTN was evaluated using Kissinger method and is found to be 126.6 ± 14.1 kJ/mol. Kinetic analyses using isoconversional method of Vyazovkin, showed a strong dependence of E a on fractional conversion (α).