CrystEngComm, Год журнала: 2022, Номер 24(16), С. 2948 - 2953
Опубликована: Янв. 1, 2022
Two novel low melting-point cocrystals with high performances were obtained by cocrystallizing TNB 1,4-DNI and DNMT, namely TNB/1,4-DNI (1) TNB/DNMT (2).
Язык: Английский
Crystal Growth & Design, Год журнала: 2023, Номер 23(9), С. 6974 - 6987
Опубликована: Авг. 19, 2023
Owing to promising characteristics including a high heat of formation (100 kcal·mol–1), density (2.04 g·cm–3), and powerful explosive nature (14–20% more potent than 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX)), the hollow cage-type molecular structure polycyclic nitramine 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (HNIW/CL-20) has recently attained significant attention from scientists. Its sensitivity toward mechanical stimuli raises safety concerns. The safety–power contradiction high-energy explosives can be alleviated certain extent via co-crystallization method. It is possible modify properties energetic materials such as melting decomposition point, density, detonation (detonation velocity pressure), sensitivities (friction impact) by forming new chemical composition new/existing molecules through noncovalent interactions (π–π stacking, hydrogen bonds, van der Waals forces). Energetic co-crystals have been developed various approaches solvent evaporation, solvent/nonsolvent, grinding, slurry, resonant acoustic mixing, etc. This Review highlights an interesting overview HNIW/CL-20 based co-crystals, their synthetic methods, intermolecular interactions, physicochemical properties. Moreover, applications, existing problems, challenges for future work on CL-20-based are also discussed.
Язык: Английский
Процитировано
10
Small, Год журнала: 2024, Номер unknown
Опубликована: Май 27, 2024
Abstract The fabrication of materials with hierarchical structures has garnered great interest, owing to the potential for significantly enhancing their functions. Herein, a strategy coupling molecular solvation and crystal growth is presented fabricate porous spherulites 2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane (CL‐20), an important energetic material. With addition polyvinylpyrrolidone in antisolvent crystallization, metastable solvate CL‐20 formed grows spherulitically, spontaneously desolvates obtain spherulite when filtration, which characteristic peak nitro group shifts detected by situ micro‐confocal Raman spectroscopy. effect thought induce CL‐20, confirmed density functional theory calculations, meanwhile acting on (020) face trigger spherulitic growth, demonstrated through infrared spectroscopy Rietveld refinement powder X‐ray diffraction. Moreover, compared common crystals, exhibit enhanced combustion increases 6.24% pressure, 40.21% pressurization rate, 9.63% pressure duration effect, indicating capability boost energy release crystals. This work demonstrates new route via solvation‐growth construct organic crystals provides insight into structure‐property relations material design.
Язык: Английский
Процитировано
4
FirePhysChem, Год журнала: 2024, Номер 5(1), С. 68 - 73
Опубликована: Июнь 1, 2024
The literature widely reported information about apparent high impact sensitivities of both the pure 2,4,6-trinitrotoluene (TNT; i.e. 14 - 16 J) and ɛ-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (ɛ-CL20; 2 4.4 J), which mostly correspond to BAM method determination. This brief overview discusses reasons these error data. physical organic chemistry approach this problem has confirmed Beijing Inst. Technology value 13.2 J for ɛ-CL20 LANL 39.2 TNT. morphological instability ɛ-CL20, when in contact with polar binders or plasticizers, might not have much influence on its application propellants. stabilization ɛ- β-CL20 upon entry into a cocrystal coformer having character polynitro compound (especially nitramines) could be practical importance. sensitivity TNT is important handling processing safety related specific samples. However, they cannot used molecular-structural analyses predictions as comparative standard, currently widespread literature.
Язык: Английский
Процитировано
4
Inorganic Chemistry, Год журнала: 2024, Номер 63(36), С. 16713 - 16725
Опубликована: Авг. 23, 2024
Ammonium dinitramide (ADN), as a novel and environmentally friendly oxidizer, has strong hygroscopicity when exposed to high-humidity air, which seriously hinders its application in solid propellants. Modification of oxidizers by cocrystallization is an effective strategy improve the energetic components. In this paper, theoretical simulation ADN/CL-20 cocrystals was developed via directional hydrogen bonding design establish cocrystal with improved hygroscopicity. Intermolecular interaction analyses reveal that bonds van der Waals interactions synergistically lead formation cocrystals. The prepared experimentally spray drying self-assembly technique, corresponding thermal analysis sensitivity properties were conducted illustrate stability high safety. Furthermore, critical relative humidity (CRH) measurement carried out evaluate cocrystal, exhibiting certain degree antihygroscopic effect CRH 65%. formed between ADN CL-20 saturate ammonium ions ADN, further preventing from absorbing water molecules air. specific impulse characteristics (
Язык: Английский
Процитировано
4
CrystEngComm, Год журнала: 2022, Номер 24(16), С. 2948 - 2953
Опубликована: Янв. 1, 2022
Two novel low melting-point cocrystals with high performances were obtained by cocrystallizing TNB 1,4-DNI and DNMT, namely TNB/1,4-DNI (1) TNB/DNMT (2).
Язык: Английский
Процитировано
16