Thermodynamics and Catalytic Properties of Two Novel Energetic Complexes Based on 3-Amino-1,2,4-triazole-5-carboxylic Acid.

Huan Song,Xiaoyan Chen,Xiaoxia Ma,Bing Li,Xiaoyan Tian,Fenglin Shan,Xuezhi Gao

doi:10.1021/acsomega.1c06052

Huan Song, Xiaoyan Chen + Show 5 more

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https://doi.org/10.1021/acsomega.1c06052

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Journal: ACS omega	Publication Date: Jan 11, 2022
Citations: 8	License type: CC BY 4.0

Affiliation: Ningxia University

Abstract

For energetic materials (EMs), the key point of the present research is to improve the energetic property and reduce sensitivity. In this work, two new energetic complexes, Mn(atzc)2(H2O)2·2H2O (1) and Zn(atzc)2(H2O) (2) (Hatzc = 3-amino-1,2,4-triazole-5-carboxylic acid), were synthesized by solvent evaporation and diffusion methods, respectively. The structural analyses illustrate that 1 and 2 exhibit zero-dimensional structural units, which are linked by hydrogen-bonding interactions to give three-dimensional supramolecular architectures. For complexes 1 and 2, the detonation velocities (D) are 10.4 and 10.2 km·s–1 and detonation pressures (P) are 48.7 and 48.6 GPa, respectively. They are higher than most of the reported EMs, which present prominent detonation characteristics. In addition, two complexes can accelerate the thermal decomposition of ammonium perchlorate and exhibit excellent catalytic activity. Therefore, the two complexes can serve as a new class of promising EMs, which have potential application in the design of new high-efficiency solid catalysts.

Highlights

Energetic materials (EMs) are one of the most important components of organics with an irreplaceable role in solid propellants, which possess special properties of energy storage and stability.[1−3] the currently used EMs, such as hexanitrohexaazaisowurtzitane (CL-20),4 1,3,5-triamino-2,4,6trinitrobenzene (TATB),[5] and 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX),[6] have some limitations due to their high sensitivity or relatively low catalytic activity
Ammonium perchlorate (AP) is a commonly used oxidant, which is widely used as the main component of solid rocket propellants.[18]
The energetic complexes can be applied as an additive to the combustion catalytic of propellants

Summary

■ INTRODUCTION

Energetic materials (EMs) are one of the most important components of organics with an irreplaceable role in solid propellants, which possess special properties of energy storage and stability.[1−3] the currently used EMs, such as hexanitrohexaazaisowurtzitane (CL-20),4 1,3,5-triamino-2,4,6trinitrobenzene (TATB),[5] and 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX),[6] have some limitations due to their high sensitivity or relatively low catalytic activity. The activation energy (Ea) and pre-exponential factor (A) of thermal decomposition for AP and AP with complexes were measured at four different heat rates of 5, 10, 15, and 20 °C·min−1 by the Kissinger’s method[29] (Figures S2−S4). Thermal decomposition peak temperature, activation energy (Ea), and pre-exponent (A) were measured by DSC for AP (Figure S2) and AP with 1 (Figure S3) and 2 (Figure S4) at different heat rates. The high-energy ligands in these complexes can increase the decomposition heat and favor the thermal decomposition of AP; second, the formation of metals and oxides at the molecular level on the propellant surface during compound decomposition may contribute to the catalytic effect of the catalyst

■ CONCLUSIONS

■ ACKNOWLEDGMENTS

■ REFERENCES