Desensitization of spherical CL-20 composites by embedding insensitive nanosized energetic crystals†

IF 2.6 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
CrystEngComm Pub Date : 2024-09-19 DOI:10.1039/D4CE00833B
Zhi-Hua Xue, Ruixuan Xu, Jianheng Qin, Zikangping Wang, Yu Liu and Qi-Long Yan
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Abstract

The development of spherical CL-20-based co-particles, which incorporate nanosized nLLM-105@PDA and nFOX-7@PDA crystals at different ratios (1%, 5%, and 10%), has been achieved using a spray drying technique. This innovative approach results in solid spherical co-particles where the nanosized inclusions are tightly integrated in CL-20 based composite crystals, where the outer shell is primarily composed of CL-20. Scanning electron microscopy (SEM) confirms the structural integrity of these co-particles, and nano-computed tomography further elucidates the intricate interfacial structure. Differential scanning calorimetry (DSC) and thermogravimetric (TG) analyses reveal that these co-particles undergo a single-step decomposition process, akin to their energetic co-crystals. This behavior is indicative of a unified and predictable thermal response. Molecular dynamics (MD) simulations, employing a reactive forcefield, have been conducted to track their thermal decomposition products. Although the CL-20 polymorph in both co-LLM-105P/CL-20 and co-LLM-105P/CL-20 co-particles is in the β-phase, their impact initiation energy is approximately 4 to 6 times higher than that of raw ε-CL-20. Moreover, the co-particle formulation does not adversely affect the velocity of detonation (VoD) and detonation pressure (PC–J), showing that the energy density is preserved.

Abstract Image

Abstract Image

通过嵌入不敏感的纳米级高能晶体对球形 CL-20 复合材料进行脱敏处理
利用喷雾干燥技术开发了基于 CL-20 的球形共颗粒,其中包含不同比例(1%、5% 和 10%)的纳米 nLLM-105@PDA 和 nFOX-7@PDA 晶体。这种创新方法产生了固体球形共颗粒,其中纳米夹杂物紧密结合在基于 CL-20 的复合晶体中,外壳主要由 CL-20 组成。扫描电子显微镜(SEM)证实了这些共颗粒的结构完整性,纳米计算机断层扫描进一步阐明了错综复杂的界面结构。差示扫描量热法(DSC)和热重法(TG)分析表明,这些共颗粒经历了一个单步分解过程,类似于它们的高能共晶体。这种行为表明它们具有统一且可预测的热反应。我们采用反应力场进行了分子动力学(MD)模拟,以跟踪它们的热分解产物。虽然共 LLM-105P/CL-20 和共 LLM-105P/CL-20 共粒子中的 CL-20 多晶体都处于 β 相,但它们的冲击起始能比未加工的 ε-CL-20 高出约 4 到 6 倍。此外,共粒子配方不会对起爆速度(VoD)和起爆压力(PC-J)产生不利影响,表明能量密度得以保持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CrystEngComm
CrystEngComm 化学-化学综合
CiteScore
5.50
自引率
9.70%
发文量
747
审稿时长
1.7 months
期刊介绍: Design and understanding of solid-state and crystalline materials
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