Enhancement on performance of molecular perovskite energetic material DAP-4 by boron element based thermites paired with bismuth oxyhalide BiOX(X=Cl,Br)

IF 4.7 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-06-05 Epub Date: 2025-02-03 DOI:10.1016/j.molstruc.2025.141660
Xiaolan Song , Hao Peng , Yi Wang , Dan Song , Chongwei AN , Fengsheng Li
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Abstract

As a new type of catalytic material, thermite is of great importance in promoting the overall performance of molecular perovskite energy materials. In this paper, the thermal decomposition and combustion effects of nano-boron/bismuth oxyhalide (nB/BiOClBr) composite microspheres on molecular perovskite energetic material (DAP-4) have been studied. In this study, 5, 10, 15, 20 and 30 %nB/BiOClBr/DAP-4 mixtures were prepared by solvent evaporation. The thermal decomposition and combustion properties of nB/BiOClBr/DAP-4 were characterised. The experimental results showed that nB/BiOClBr was capable of catalysis of thermal decomposition and combustion of DAP-4. When nB/BiOClBr was added at 15 %, which was the optimum preparation ratio, the activation energy required for the thermal decomposition reaction of nB/BiOClBr/DAP-4 was the lowest, 135.6 kj/mol, and it was able to significantly lower the peak temperature of the exothermic decomposition of DAP-4. During the combustion process, the addition of 15 %nB/BiOClBr significantly increased the combustion intensity of DAP-4, increasing the combustion pressure up to 1.5 MPa, resulting in a combustion rate of 3.59 MPa/s, releasing more combustion heat compared to the feedstock and other proportions of the nB/BiOClBr/DAP-4 blends. Based on the results of thermal analyses and combustion tests, a possible combustion mechanism for nB/BiOClBr/DAP-4 composites was proposed. This work provides a new idea to improve the combustion performance of DAP-4 using novel catalysts.

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硼基热剂与氧化卤化铋BiOX(X=Cl,Br)对分子钙钛矿含能材料DAP-4性能的增强
铝热剂作为一种新型的催化材料,对提高分子钙钛矿能源材料的综合性能具有重要意义。本文研究了纳米硼/氧化卤化铋(nB/BiOClBr)复合微球在分子钙钛矿含能材料(DAP-4)上的热分解和燃烧效应。本研究采用溶剂蒸发法制备了5、10、15、20和30% nB/BiOClBr/DAP-4混合料。研究了nB/BiOClBr/DAP-4的热分解和燃烧性能。实验结果表明,nB/BiOClBr能够催化DAP-4的热分解和燃烧。当nB/BiOClBr以15%的最佳配比加入时,nB/BiOClBr/DAP-4热分解反应所需活化能最低,为135.6 kj/mol,且能显著降低DAP-4放热分解的峰值温度。在燃烧过程中,添加15% nB/BiOClBr显著提高了DAP-4的燃烧强度,燃烧压力最高可达1.5 MPa,燃烧速率为3.59 MPa/s,与原料和其他配比的nB/BiOClBr/DAP-4共混物相比,释放的燃烧热量更多。基于热分析和燃烧试验结果,提出了nB/BiOClBr/DAP-4复合材料可能的燃烧机理。本研究为利用新型催化剂提高DAP-4的燃烧性能提供了新的思路。
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来源期刊
Journal of Molecular Structure
Journal of Molecular Structure 化学-物理化学
CiteScore
7.10
自引率
15.80%
发文量
2384
审稿时长
45 days
期刊介绍: The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.
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