Thermochemical properties and thermokinetic behavior of energetic triazole ionic salts

Abstract

The properties of dissolution in different solvents, the specific heat capacity and thermal decomposition process under the non-isothermal conditions for energetic triazole ionic salts 1,2,4-triazolium nitrate (1a), 1,2,3-triazolium nitrate (1b), 3,4,5-triamino-1,2,4-triazolium nitrate (2a), 3,4,5-triamino-1,2,4-triazolium dinitramide (2b) were precisely measured using a Calvet Microcalorimeter. The thermochemical equation, differential enthalpies of dissolution (ΔdifHmΘ), standard molar enthalpies of dissolution (ΔdifHmΘ), apparent activation energy (E), pre-exponential constant (A), kinetic equation, linear relationship of specific heat capacity with temperature over the temperature range from 283 to 353 K, standard molar heat capacity (Cp,mΘ) and enthalpy, entropy and Gibbs free energy at 283–353 K, taking 298.15 K as the benchmark for 1a, 1b, 2a and 2b were obtained with treating experimental data and theoretical calculation method. The kinetic and thermodynamic parameters of thermal decomposition reaction, critical temperature of thermal explosion (Tb), self-accelerating decomposition temperature (TSADT) and adiabatic time-to-explosion (t) of 1a, 1b, 2a and 2b were calculated. Their heat-resistance abilities were evaluated. Information was obtained on the relation between molecular structures and properties of 1a, 1b, 2a and 2b.