Energetic compounds based on a new fused triazolo[4,5-d]pyridazine ring: Nitroimino lights up energetic performance

Chemical Engineering Journal, Год журнала: 2021, Номер 420, С. 129839 - 129839

Опубликована: Апрель 19, 2021

Язык: Английский

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Energetic Cocrystallization as the Most Significant Crystal Engineering Way to Create New Energetic Materials

Crystal Growth & Design, Год журнала: 2022, Номер 22(2), С. 954 - 970

Опубликована: Янв. 13, 2022

Crystal engineering is a highly efficient way to create new materials with the desired properties. Energetic cocrystallization has been thriving for ∼10 years since appearance of series TNT-based energetic cocrystals (ECCs). ECCs serve as one important aspect crystal (EMs). This article presents brief overview regarding component, intermolecular interaction, packing structure, main properties, and preparation, well theoretical treatment some issues raised future development. In most cases, properties an ECC are each moderated between those pure components, setting basis tuning by existing molecules, instead synthesizing molecules; meanwhile, there also exceptions, such higher density, detonation or lower impact sensitivity in comparison both components. These exceptions mutated will expand EMs. Generally, currently staying at primary stage, much effort being required solve urgent issues, property evaluation, large-scale fabrication, applications. Still, promising alternative EMs after all, it huge challenge synthesize satisfactory molecule.

Язык: Английский

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Two Novel CL-20 Cocrystals with Different Performances Obtained by Molecular Similarity Combined with Hydrogen Bonding Pairing Energy: An Effective Strategy to Design and Screen Energetic Cocrystals

Crystal Growth & Design, Год журнала: 2024, Номер 24(5), С. 1977 - 1986

Опубликована: Фев. 17, 2024

The development of energetic cocrystals currently faces a significant challenge in effectively screening cocrystals. In this study, simple and effective method was utilized to evaluate the possibility cocrystal formation between CL-20 (2,4,6,8,10,12-hexanitrohexaazaisowurtzitane) azole isomers. This combined molecular similarity with hydrogen bonding pairing energy. As result, two novel cocrystals, namely, (1) 1:2 CL-20/3,4-MDNP (1-methyl-3,4-dinitropyrazole) (2) 2:1 CL-20/3,5-MDNP (1-methyl-3,5-dinitropyrazole), were successfully prepared through solvent evaporation. It is worth noting that 2 exhibits desirable safety detonation properties, making it potential high-energy insensitive explosive substitute for RDX (1,3,5-trinitro-1,3,5-triazacyclohexane). Additionally, work provides feasible rapidly simultaneously offers further insights into design mechanism

Язык: Английский

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Progress in Energy−Safety Balanced Cocrystallization of Four Commercially Attractive Nitramines

Crystal Growth & Design, Год журнала: 2024, Номер 24(17), С. 7361 - 7388

Опубликована: Авг. 19, 2024

In 2011, cocrystallization of energetic materials became a hot topic and pathway to overcome the energy−safety contradiction; especially for commercially attractive nitramines, it first preference researchers. The present review focuses on energetic−energetic four CL20, HMX, BCHMX, RDX, structural aspects these cocrystals, their influence thermochemical detonation properties. Cocrystallization has proven be crystal engineering technique achieve safety morphological suitability cocrystals (EECCs). Overall, in most cases, impact sensitivities EECCs are decreased, this is phenomenal change; however, needed adjust with properties slightly, negligible if coformer (EMs) properly chosen. There other notable variations morphologies packing crystals, including key such as relatively high density melting point. These changes occur due binding energy, trigger bond length, cohesive energy during cocrystallization. Researchers highly focused nitramines; earlier reported methods lacking selectivity scalability. When comes adoption industrial scale production EECCs, more difficult. We conducted thorough literature survey. Also we discussed about recently developed VPSZ coagglomeration method, which provides huge opportunity tune performance existing easy up level.

Язык: Английский

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Nitramine-Based Energetic Cocrystals with Improved Stability and Controlled Reactivity

Crystal Growth & Design, Год журнала: 2020, Номер 20(12), С. 8124 - 8147

Опубликована: Ноя. 11, 2020

The inherent contradiction between the energy density and safety of energetic materials (EMs) is very challenging. To solve this problem, cocrystallization technology has been usually used in field EMs to better balance safety. preparation techniques cocrystals mainly include solvent evaporation, solvent/nonsolvent, grinding methods. prepared by these methods have structures completely different from starting crystals. comprehensive performance (ECCs), such as density, solubility, sensitivity, thermal stability, significantly improved. This review summaries ECCs their fundamental formation mechanisms, where HMX-based CL-20-based are selected typical examples. Their structures, thermodynamic characteristics, detonation parameters summarized compared detail. Finally, future research directions challenges proposed based on literature survey.

Язык: Английский

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Optimized energetic HNTO/AN co-crystal and its thermal decomposition kinetics in the presence of energetic coordination nanomaterials based on functionalized graphene oxide and cobalt

RSC Advances, Год журнала: 2021, Номер 11(56), С. 35287 - 35299

Опубликована: Янв. 1, 2021

The present research aims to select the optimal molar ratio of hydrazine 3-nitro-1,2,4-triazol-5-one (HNTO) and ammonium nitrate (AN) produce an energetic co-crystal. For a comparison purpose, heat release, cost, density hygroscopicity different co-crystals were evaluated. obtained results indicated that HNTO/AN at 1 : 3 exhibited higher better thermal stability, low water content reasonable compared other co-crystals. This new co-crystal was fully characterized through powder X-ray diffraction (XRD), infrared spectroscopy (FTIR) differential scanning calorimetry (DSC), confirming this latter displayed similar characteristics those with ratio, which recently developed. On hand, catalytic activity two coordination polymers triaminoguanidine-cobalt (T-Co) complexes, or without graphene oxide (GO-T-Co-T), on thermolysis developed has been also assessed by DSC under non-isothermal conditions. It is revealed these catalysts have greatly decreased decomposition temperature cocrystal. Moreover, because complete in case (HNTO/AN)/GO-T-Co-T composite, release increased as well. Isoconversional integral kinetic methods exploited determine parameters systems. According results, strong action AN/HNTO for activation energy pre-exponential factor are considerably lowered. Consequently, could be considered potential ingredients next generation composite solid propellant formulations.

Язык: Английский

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Variable stoichiometry cocrystals: occurrence and significance

CrystEngComm, Год журнала: 2021, Номер 23(26), С. 4583 - 4606

Опубликована: Янв. 1, 2021

Stoichiometric variation in organic cocrystals, their synthesis, structure elucidation and properties are discussed. Accountable reasons for the occurrence of such cocrystals emphasised.

Язык: Английский

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Recent Progress on Synthesis, Characterization, and Performance of Energetic Cocrystals: A Review

Molecules, Год журнала: 2022, Номер 27(15), С. 4775 - 4775

Опубликована: Июль 26, 2022

In the niche area of energetic materials, a balance between energy and safety is extremely important. To address this “energy–safety contradiction”, cocrystals have been introduced. The investigation synthesis methods, characteristics, efficacy utmost importance for optimizing their design development. This review covers (i) various methods cocrystals; (ii) discusses characteristics such as structural properties, detonation performance, sensitivity analysis, thermal morphology mapping, along with other properties oxygen balance, solubility, fluorescence; (iii) performance respect to contents (detonation velocity pressure) sensitivity. followed by concluding remarks together future perspectives.

Язык: Английский

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Microchannel-confined crystallization: shape-controlled continuous preparation of a high-quality CL-20/HMX cocrystal

CrystEngComm, Год журнала: 2022, Номер 24(8), С. 1523 - 1528

Опубликована: Янв. 1, 2022

Shape-controlled continuous preparation of a high-quality CL-20/HMX cocrystal has been realized through microchannel-confined crystallization strategy.

Язык: Английский

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Improving the Stability of All-Carbon-Nitrated Azoles through Cocrystallization

Crystal Growth & Design, Год журнала: 2022, Номер 22(4), С. 2158 - 2167

Опубликована: Март 10, 2022

All-carbon-nitrated azoles have the advantages of high density and good oxygen balance, but they are rarely suitable for explosives applications due to their fatal deficiencies, such as poor thermal stability, sensitivity, deliquescence. Cocrystallization technology provides a feasible idea revive all-carbon-nitrated in presence flexible structure designability performance adjustability. In this study, three attractive energetic cocrystals 1–3 were synthesized with conjugate triimidazo[1,2-a:1′,2′-c:1″,2″-e][1,3,5]triazine (TT) another azole [5-nitrotetrazole (HNT), 3,5-dinitro-1,2,4-triazole (HDNT), 3,4,5-trinitropyrazole (TNP)], respectively. All existed stably safely under natural conditions exhibited better frictional sensitivity (FS), impact (IS) than pure HNT, HDNT, TNP. Therein, two melting points (Tm) 2 61.9 95.5 °C higher that its decomposition temperature (Td) was 81.2 HDNT. The mechanical 1 (FS = 80 N IS 24 J) significantly improved compared extremely sensitive HNT < 5 J). Moreover, 3 excellent controllable detonation performances (1.703 g cm–3, 6903 m s–1, 18.0 GPa), which 2,4,6-trinitrotoluene. single-crystal analysis theoretical calculation showed formation primarily depended on N–H···N, C–H···N, C–H···O hydrogen bonds NO2···π interaction π–π stacking. stability obviously energetics, attributed combination these strong bond interactions weak π-stacking interactions. Therefore, cocrystallization promising method give "dead" new life.

Язык: Английский

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