University Chemistry ›› 2026, Vol. 41 ›› Issue (1): 133-143.doi: 10.12461/PKU.DXHX202506017

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Digital Experimental Design of Decomposition of Ammonium Perchlorate Catalyzed by MOFs

Zhican Lu, Junyu Li, Zijun Huang, Ziyi Zeng, Chi Huang, Chuqing Gong, Yalan Zhong   

  1. College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China
  • Received:2025-06-03 Accepted:2025-10-13 Published:2025-12-30
  • Contact: Chuqing Gong, Yalan Zhong E-mail:gongcq@whu.edu.cn;ylzhong@whu.edu.cn

Abstract: Ammonium perchlorate (AP) serves as an essential component in solid rocket propellants, with its thermal decomposition characteristics directly determining propellant combustion performance. Metal-organic frameworks (MOFs), currently at the forefront of catalytic research, demonstrate considerable potential for enhancing AP’s thermal decomposition properties. Incorporating undergraduate experiments involving aerospace-critical AP materials and cutting-edge MOF materials not only fosters students’ research interests and practical skills but also seamlessly integrates ideological elements of aerospace advancement into the curriculum. However, AP’s energetic nature presents explosion hazards, while conventional solvothermal MOF synthesis involves high-pressure conditions and prolonged reaction times. To address these safety concerns, this study implements a digital approach combining virtual simulation and machine learning. The experimental design comprises two modules: Materials of institute Lavoisier (MIL)-101(Fe) synthesis and evaluation of its catalytic effects on AP decomposition via differential scanning calorimetry (DSC) analysis. This virtual methodology enables safe exploration of AP and MOF materials while achieving comprehensive educational objectives encompassing knowledge acquisition, skill development, and value cultivation.

Key words: Ammonium perchlorate, Solid rocket propellant, Metal organic frameworks (MOFs), Machine learning, Virtual simulation