The structural diversity of hybrid qy-HMX crystals with constraint of 2D dopants and the resulted changes in thermal reactivity

Xue, Zhi-Hua; Zhang, Xuexue; Huang, Binbin; Bai, Xin; Zhu, Lingyu; Chen, Shuwen; Yan, Qi‐Long

doi:10.1016/j.cej.2020.124565

Cited by 38 publications

(30 citation statements)

References 31 publications

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“…In order to balance these two requirements, crystal engineering is an effective strategy. − After many years of research, it has been found that the macroscopic properties of energetic materials are related not only to the microscopic molecular structures but also to the stacking mode of the crystal. − By means of controlling crystal shape and morphology or eutectic preparation, the properties of various explosives have been modified. CL-20, HMX, FOX-7, and LLM-105 are the most commonly investigated explosives.…”

Section: Introductionmentioning

confidence: 99%

Polymorphism in a Nonsensitive-High-Energy Material: Discovery of a New Polymorph and Crystal Structure of 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine

Zhang

Qian

et al. 2020

Crystal Growth & Design

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Polymorphism has attracted significant attention in the area of pharmaceutical chemistry and materials chemistry. For energetic materials, polymorphism may affect their physical performances such as energy, sensitivity, thermal stability, etc. 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine (DATNBI) exhibits high density (d: 1.93 g cm–3), superior detonation performance (D: 9063 m s–1) and comprehensive sensitivity (IS: 15 J), suggesting it is a nonsensitive-high-energy material (NSHEM) compared with HMX as a sensitive-high-energy material (SHEM). In this work, a new polymorph of DATNBI was discovered for the first time. To elucidate its phase transformation behavior and morphology-performance relationship, single X-ray diffraction (SXRD), variable temperature powder X-ray diffraction (VT-PXRD), Raman spectroscopy, differential scanning calorimetry-thermal gravity (DSC-TG), and scanning electron microscopy (SEM) were characterized thoroughly. Solvation and temperature effects on the polymorph formation of DATNBI were also investigated.

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Section: Introductionmentioning

confidence: 99%

Polymorphism in a Nonsensitive-High-Energy Material: Discovery of a New Polymorph and Crystal Structure of 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine

Zhang

Qian

et al. 2020

Crystal Growth & Design

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“…In order to obtain more accurate calculation results, the Fraser–Suzuki equation [ 41 ] was adopted to fit the DSC peaks of the original data in the Friedman method. It can be found that all the correlation coefficients were greater than 0.98, which meets the accuracy requirement of the kinetic evaluation.…”

Section: Resultsmentioning

confidence: 99%

Fabrication of CL-20/HMX Cocrystal@Melamine–Formaldehyde Resin Core–Shell Composites Featuring Enhanced Thermal and Safety Performance via In Situ Polymerization

Duan¹,

Lu²,

Hu³

et al. 2022

IJMS

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Safety concerns remain a bottleneck for the application of 2,4,6,8,10,12-hexanitro- 2,4,6,8,10,12-hexaazaisowurtzitane (CL-20)/1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX) cocrystal. Melamine–formaldehyde (MF) resin was chosen to fabricate CL-20/HMX cocrystal-based core–shell composites (CH@MF composites) via a facile in situ polymerization method. The resulted CH@MF composites were comprehensively characterized, and a compact core–shell structure was confirmed. The effects of the shell content on the properties of the composites were explored as well. As a result, we found that, except for CH@MF–2 with a 1% shell content, the increase in shell content led to a rougher surface morphology and more close-packed structure. The thermal decomposition peak temperature improved by 5.3 °C for the cocrystal enabled in 1.0 wt% MF resin. Regarding the sensitivity, the CH@MF composites exhibited a significantly reduced impact and friction sensitivity with negligible energy loss compared with the raw cocrystal and physical mixtures due to the cushioning and insulation effects of the MF coating. The formation mechanism of the core–shell micro-composites was further clarified. Overall, this work provides a green, facile and industrially potential strategy for the desensitization of energetic cocrystals. The CH@MF composites with high thermal stability and low sensitivity are promising to be applied in propellants and polymer-bonded explosive (PBX) formulations.

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“…Thus, we presumed that it might be the different growth behaviors of MPNs (on the HMX surface and in solution) that resulted in their distinct densities, which was further responsible for the abnormal density of HMX@ MPNs. 29,30 To support this assumption, HMX@MPNs(3) was etched with acetone, and the indiscerptible MPNs shell was then dried followed by density analysis (Figure S10). As expected, the density of the MPNs coating layer (2.054 g cm −3 ) is distinct from that of free-growth MPNs (1.672 g cm −3 ) and even surpasses the density of pristine HMX (1.908 g cm −3 ), which could rationalize the high overall density for HMX@MPNs.…”

Section: Resultsmentioning

confidence: 99%

Multilayer Deposition of Metal–Phenolic Networks for Coating of Energetic Crystals: Modulated Surface Structures and Highly Enhanced Thermal Stability

Zhao

Gong

et al. 2020

ACS Appl. Energy Mater.

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Phase transition under thermal stimulation remains a long-standing problem for practical applications of polymorphic energetic crystals such as 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). Herein, tannic acid (TA)-based metal−phenolic networks (MPNs), an emerging class of coatings formed through coordination chemistry, were introduced to improve the thermal stability of energetic HMX. Detailed characterizations were systematically conducted and confirmed the formation of a compact core−shell structure upon in situ noncovalent decoration of polyphenols and Fe III under ambient conditions. Additionally, the dynamic nature of MPNs assembly facilitated multilayer deposition with tunable coverage and thickness. As a result, the phase transition (β → δ) temperature of optimized HMX@MPNs was significantly improved by 42.3 °C at low coating loadings (1.8 wt %), as revealed by thermogravimetry−differential scanning calorimetry (TG−DSC) and in situ X-ray diffraction (XRD) techniques. On this basis, an in-depth understanding of the phasetransition mechanism was achieved by employing isothermal kinetics modeling. This work demonstrates a facile and robust coating strategy for modularized surface engineering of energetic crystals, resulting in remarkably enhanced thermal stability.

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The structural diversity of hybrid qy-HMX crystals with constraint of 2D dopants and the resulted changes in thermal reactivity

Cited by 38 publications

References 31 publications

Polymorphism in a Nonsensitive-High-Energy Material: Discovery of a New Polymorph and Crystal Structure of 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine

Polymorphism in a Nonsensitive-High-Energy Material: Discovery of a New Polymorph and Crystal Structure of 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine

Fabrication of CL-20/HMX Cocrystal@Melamine–Formaldehyde Resin Core–Shell Composites Featuring Enhanced Thermal and Safety Performance via In Situ Polymerization

Multilayer Deposition of Metal–Phenolic Networks for Coating of Energetic Crystals: Modulated Surface Structures and Highly Enhanced Thermal Stability

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