Thermal Kinetics and Decomposition Mechanism of 1-Amino-1, 2, 3-triazolium Nitrate

doi:10.1007/s40242-014-3299-4

Abstract

Abstract:

The thermal decomposition kinetics of 1-amino-1,2,3-triazolium nitrate(ATZ-NO₃) was investigated by non-isothermal TG-DTG at various heating rates(2, 5, 10, 15 and 20 ℃/min). The results show that the thermal decomposition of ATZ-NO₃ consists of two stages corresponding to the losing of nitrate anion, substituent group and the splitting of triazole ring respectively. The kinetic triplets of the two stages were described by a three-step method. First, the differential Kissinger and intergral Ozawa methods were used to calculate the apparent activation energies(E) and pre-exponential factors(A) of the two decomposition stages. Second, two calculation methods(intergral Šatava-Šesták and differential Achar methods) were used to obtain several probable decomposition mechanism functions. Third, three judgment methods(average, double-extrapolation and Popescu methods) were used to confirm the most probable decomposition mechanism functions. Both reaction models of the two stages were random-into-nucleation and random-growth mechanisms with n=3/2 for the first stage and n=1/3, m=3 for the second stage. The kinetic equations for the two decomposition stages of ATZ-NO₃ may be expressed as da/dt=10^13.60·e^-(RT/128970)(1-a)[-ln(1-a)]^-(2/3) and da/dt=10^11.41·e^-(RT/117370)(1-a)[-ln(1-a)]^-(1/2). The thermodynamic parameters including Gibbs free energy of activation(ΔG^≠), entropy of activation(ΔS^≠) and enthalpy of activation(ΔH^≠), for the thermal decomposition reaction were also derived.

Key words: 1-Amino-1,2,3-triazolium nitrate, Thermal decomposition, Thermal gravimetric analysis, Non-isothermal kinetics, Gibbs free energy of activation(ΔG^≠), Kinetic triplets, Compensation effect

DU Xujie, LI Xiaodong, YANG Rongjie, LI Yuchuan, PANG Siping. Thermal Kinetics and Decomposition Mechanism of 1-Amino-1, 2, 3-triazolium Nitrate[J]. Chemical Research in Chinese Universities, 2014, 30(1): 130-136.

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