Preparation of CL-20/TFAZ cocrystals under aqueous conditions: balancing high performance and low sensitivity

CrystEngComm, Год журнала: 2019, Номер 21(47), С. 7271 - 7279

Опубликована: Янв. 1, 2019

CL-20/TFAZ cocrystal explosives were prepared by a self-assembly method under aqueous conditions with both low sensitivity and high detonation performances.

Язык: Английский

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Triazene-bridged energetic materials based on nitrotriazole: synthesis, characterization, and laser-ignited combustion performance

Dalton Transactions, Год журнала: 2023, Номер 52(16), С. 5226 - 5233

Опубликована: Янв. 1, 2023

Compared to the widely concerned azo bridges (-NN-), triazene (-NN-NH-) with longer nitrogen chains are also favorable linking units leading novel energetic materials. In this work, a new family of nitrogen-rich nitrotriazolate-based compounds bridge were synthesized and well characterized. The experimental results indicated that most these have good thermal stabilities low sensitivities. Among these, ammonium 5,5'-dinitro-3,3'-triazene-1,2,4-triazolate (3) potassium 5-nitro-3,3'-triazene-1,2,4-triazolate (7) decomposed at relatively high temperature (240.6 °C for 3 286.9 7). impact sensitivities obtained ranged from 15 J 45 J. They positive heats formation between 667.5 817.3 kJ mol-1. calculated detonation pressures (P) located 23.7 34.8 GPa, velocities (D) 8011 9044 m s-1. Interestingly, (8) hydroxylammonium 5-nitro-3,3'-triazene-1,2,4-triazole (10) possessed excellent laser-ignited combustion performance.

Язык: Английский

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Comparative Studies of Synthesis, Performance, and Applications of Recently Developed CL-20 Based Co-crystals

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

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Novel approach for preparation of the energy-safety balanced cocrystals of attractive nitramines via coagglomeration

FirePhysChem, Год журнала: 2024, Номер 4(4), С. 283 - 294

Опубликована: Март 6, 2024

Co-agglomeration unique crystal engineering approach; in which the co-precipitated micro-particles of nitramines with other energetic materials co-agglomerated by slurry method; to modify properties attractive like CL20, HMX, BCHMX, and RDX etc. The interesting structural modifications newly prepared crystals (CACs) one are discussed here. There notable variations morphologies packing crystals, including key relatively high density, melting point, impact sensitivity, detonation properties. These CACs overwhelming majority showing co-crystals. Apart from these aspects, co-agglomeration provides a huge opportunity tune performance existing is easy scale-up for industrial level. preliminary results also suggest that chemical factors involved preparation have tremendous improvements than conventional crystallization. With technological optimization this method can be employable scale production.

Язык: Английский

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A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity

Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, Год журнала: 2022, Номер 78(2), С. 133 - 139

Опубликована: Фев. 19, 2022

A cocrystal explosive comprising 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and 1-methyl-2,4,5-trinitroimidazole (MTNI) (molar ratio, 1:1) was synthesized. The structure of the characterized by single-crystal X-ray diffraction. Its further determined powder diffraction, infrared spectroscopy differential scanning calorimetry which showed that its morphology different from mechanical mixture two raw materials. decomposition temperature is lower than CL-20 MTNI. calculated detonation performance slightly HMX, but has excellent sensitivity relative to CL-20, even RDX. These features make this ideal be used in applications with low-sensitivity requirements.

Язык: Английский

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Crystal Engineering of Ionic Cocrystals Sustained by the Phenol–Phenolate Supramolecular Heterosynthon

Crystal Growth & Design, Год журнала: 2022, Номер 22(7), С. 4582 - 4591

Опубликована: Июнь 21, 2022

Although crystal engineering strategies are generally well explored in the context of multicomponent crystals (cocrystals) formed by neutral coformers (molecular cocrystals), cocrystals comprised one or more salts (ionic cocrystals, ICCs) understudied. We herein address design, preparation, and structural characterization ICCs phenolic moieties, a common group natural products drug molecules. Organic inorganic bases were reacted with following coformers: phenol, resorcinol, phloroglucinol, 4-methoxyphenol, 4-isopropylphenol. Nine crystallized, each them sustained phenol-phenolate supramolecular heterosynthon (PhOH···PhO

Язык: Английский

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Progress in Predicting Ionic Cocrystal Formation: The Case of Ammonium Nitrate

Chemistry - A European Journal, Год журнала: 2023, Номер 29(27)

Опубликована: Фев. 22, 2023

In contrast to the mature predictive frameworks applied neutral cocrystals, ionic those including an ion pair, are difficult design. Furthermore, they generally excluded categorically from studies which correlate specific molecular properties cocrystal formation, leaving prospective engineer with few clear avenues success. Herein ammonium nitrate, energetic oxidizing salt, is targeted for cocrystallization in a potential coformer group selected based on likely interactions nitrate as revealed Cambridge Structural Database; six novel cocrystals were discovered. Molecular descriptors previously identified being related formation examined across screening but showed no relationship formation. High packing coefficient shown be constant among successful coformers set and utilized directly target two more coformers, bypassing need large group.

Язык: Английский

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Improving the stability of hydrazinium pentazolate through cocrystallization

CrystEngComm, Год журнала: 2023, Номер 25(14), С. 2027 - 2031

Опубликована: Янв. 1, 2023

An energetic cocrystal N 2 H 5 /PDO (2 : 1), which shows a lower sensitivity and hygroscopicity than detonation properties approaching those of RDX, was synthesized.

Язык: Английский

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Achieving Balanced Energetics through Cocrystallization

Angewandte Chemie, Год журнала: 2019, Номер 131(48), С. 17345 - 17348

Опубликована: Сен. 23, 2019

Abstract Achieving energetic materials with a balanced ratio of oxidant to fuel is challenge that has been difficult meet through molecular synthesis. The alternative approach, composite formulation, fails achieve intimate association the components detriment performance. Herein, oxidizer ammonium dinitramide (ADN) combined fuel‐rich pyrazine‐1,4‐dioxide via cocrystallization. result material oxidant/fuel in which maintain association. exhibits desirable physical and properties are much improved over ADN comparable contemporary energetics.

Язык: Английский

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Evaluation of solvate and co-crystal screening methods for CL-20 containing energetic materials

Journal of Energetic Materials, Год журнала: 2021, Номер 40(3), С. 258 - 272

Опубликована: Янв. 3, 2021

The difficulty synthesizing new co-crystals has made the development of efficient methods for screening co-formers a high priority. Co-crystals have been realized as generation materials with tuneable solubility, stability, and performance. Energetic exceptionally weak intermolecular interactions making selection co-crystallization method parameters critical to forming true co-crystal. COSMO-RS calculations coupled COSMOtherm software suite were used screen common solvents CL-20. predicted favorable solvates co-crystal formers compared experimentally confirmed assess accuracy COSMO CL-20-based materials. It was found that using excess enthalpy solvent cavity volume able predict CL-20 solvates. Co-crystal formation difficult method, highlighting importance entropy solid-state interactions. good is perhaps best maximizing entropy. Understanding dependence on energetic-energetic cocrystal an accurate allows intelligent design methods.

Язык: Английский

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