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Runaway reaction and thermal hazards simulation of 4-amino-1,2,4-triazole picrate by HP-DSC and ARC

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Abstract

4-Amino-1,2,4-triazole picrate (4-ATPA) is a type of ionic liquids, as well as an explosive with sound thermal stability and low mechanical sensitivity. However, under upset conditions such as high temperature and pressure, an unpredictable explosion would occur and result in huge casualties and property losses. The purpose of this research was to evaluate the thermal hazard and runaway reaction of 4-ATPA through high-pressure differential scanning calorimetry and accelerating rate calorimeter. The kinetic parameters of decomposition reaction under non-isothermal and different pressure conditions were calculated based on the experiment results. Experimental results showed that the β and test pressure had no effect on the amount of heat release. Adiabatic experiments indicated that 4-ATPA had a high onset temperature at 196.8 °C. The maximum self-heating rate (3567.9 °C min−1) and pressure rise rate (202.0 bar min−1) revealed the vulnerability of 4-ATPA to suffer a disastrous explosion. Moreover, the apparent activation energy and pre-exponential factor were evaluated as 110.2 kJ mol−1 and 1.8 × 10−15 s−1 by ASTM E698 method. The correctness of the thermodynamic calculation formula under adiabatic conditions is verified by ARC tests. Finally, the thermal hazard risk of 4-ATPA was classified as unacceptable based on the risk classification criteria.

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Abbreviations

A :

Pre-exponential factor (s−1)

c :

Concentration (g cm−3)

c 0 :

Initial concentration (g cm−3)

C VB :

Heat capacity of bomb (J g−1 K−1)

C VS :

Heat capacity of sample (J g−1 K−1)

E a :

Apparent activation energy (kJ mol−1)

k :

Arrhenius rate constant

n :

Reaction order

OB:

Oxygen balance (%)

P max :

Maximum pressure (bar)

(dP dt−1)max :

Maximum pressure rise rate (bar min−1)

R :

Universal gas constant (8.314 J mol−1 K−1)

r :

Rate of reaction (s−1)

T onset :

Onset decomposition temperature (°C)

T e :

End decomposition temperature (°C)

T peak :

Peak decomposition temperature (°C)

TMRad :

Time to the maximum rate (h)

(dT dt−1)max :

Maximum self-heating rate (°C min−1)

V :

Volume of the sample (m3)

W p :

Peak power (W g−1)

ΔHd :

Heat of decomposition (J g−1)

ΔPad :

Adiabatic pressure rise (bar)

ΔTad :

Adiabatic temperature rise (°C)

α :

Degree of conversion

β :

Heating rate (°C min−1)

Φ:

Thermal inertia

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Acknowledgements

The authors would like to express their appreciation to the Anhui Provincial Natural Science Foundation, China, for its financial support under contract number 1908085ME125 for financial support of this study.

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Authors and Affiliations

  1. School of Chemical Engineering, Anhui University of Science and Technology (AUST), Huainan, 232001, Anhui, China

    Zhi-He Zhang, Shang-Hao Liu, Bin Zhang & Zhi-Ling Xu

  2. State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines, AUST, Huainan, 232001, Anhui, China

    Shang-Hao Liu

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  1. Zhi-He Zhang
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Zhang, ZH., Liu, SH., Zhang, B. et al. Runaway reaction and thermal hazards simulation of 4-amino-1,2,4-triazole picrate by HP-DSC and ARC. J Therm Anal Calorim 139, 1367–1377 (2020). https://doi.org/10.1007/s10973-019-08529-6

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  • DOI: https://doi.org/10.1007/s10973-019-08529-6

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