大学化学 >> 2026, Vol. 41 >> Issue (1): 133-143.doi: 10.12461/PKU.DXHX202506017

所属专题: 化学实验数字化设计竞赛获奖作品

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MOFs催化高氯酸铵分解的数字化实验设计

鲁智灿, 李俊宇, 黄子君, 曾子艺, 黄驰, 龚楚清, 钟亚兰   

  1. 武汉大学化学与分子科学学院, 武汉 430072
  • 收稿日期:2025-06-03 录用日期:2025-10-13 发布日期:2025-12-30
  • 通讯作者: 龚楚清, 钟亚兰 E-mail:gongcq@whu.edu.cn;ylzhong@whu.edu.cn Chuqing Gong, Yalan Zhong
  • 基金资助:
    拔尖计划2.0 重点研究课题(20211042, 20251011)

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

摘要: 高氯酸铵(AP)是固体火箭推进剂的关键原材料,其热分解行为会直接影响推进剂的燃烧性能。金属有机框架(MOFs)作为目前催化领域的研究热点之一,对于改善AP热分解性能具有巨大潜力。在本科阶段引入航天关键材料AP和化学学科前沿材料MOFs的相关教学实验有助于培养学生的科研兴趣和实践技能,还能将航天强国思政元素隐性融入教学过程。但AP作为含能材料具有易爆炸等安全风险,制备MOFs所使用的溶剂热法反应过程高压,在实际操作中存在安全风险且反应时间过长。基于上述背景,本实验采用虚拟仿真以及机器学习进行实验模拟,设计了拉瓦锡研究院骨架材料(MIL)-101(Fe)的合成和利用差示扫描量热仪(DSC)测试MIL-101(Fe)催化AP热分解效果两部分内容。该数字化实验能在安全的实验条件下,带领同学们认识AP与MOFs材料,实现传授知识、培养能力和塑造价值观相统一的教学目标。

关键词: 高氯酸铵, 固体火箭推进剂, 金属有机框架(MOFs), 机器学习, 虚拟仿真

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