Application of co-crystallization method for the production of ammonium perchlorate/ammonium nitrate oxidizer for solid rocket propellants

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 487, P. 150654 - 150654

Published: March 24, 2024

Language: Английский

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Hydrogen Bonding in CHON-Containing Energetic Crystals: A Review

Crystal Growth & Design, Journal Year: 2019, Volume and Issue: 19(10), P. 5981 - 5997

Published: Sept. 9, 2019

Hydrogen bonding (HB) universally exists in CHON-containing energetic materials (EMs) and significantly influences their structures, properties, performances. As time proceeds, some new types of EMs such as cocrystals (ECCs) ionic salts (EISs) are thriving currently richening insight into the HB EMs, these reviewed this article well. The intramolecular mostly stable molecules while seldom less molecules; weak abundant HBs dominate intermolecular interactions consolidate crystal packing. For ECCs with neutral heterogeneous molecules, serve one strategies for design. In comparison, EISs greatly strengthened polarity increases ionization. A strong usually enhances molecular stability large π-bonds packing coefficients facilitates reversible H transfer, which is advantageous low mechanical sensitivity. HB-aided π–π stacking that favors sensitivity observed all three kinds including traditional homogeneous EISs. However, a an EM causes ready thereby worsening thermal stability. Thus, influence on can go both ways, there should be balance when HB-containing designed.

Language: Английский

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Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host–guest inclusion strategy

Journal of Materials Chemistry A, Journal Year: 2019, Volume and Issue: 7(33), P. 19248 - 19257

Published: Jan. 1, 2019

A versatile host–guest driven explosive-oxidant inclusion strategy was proposed to develop advanced high-energy-density materials (HEDMs) with high detonation performances, low mechanical sensitivities and excellent combustion properties.

Language: Английский

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Advanced energetic materials: novel strategies and versatile applications

Mendeleev Communications, Journal Year: 2021, Volume and Issue: 31(6), P. 731 - 749

Published: Nov. 1, 2021

Language: Английский

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Review of the Intermolecular Interactions in Energetic Molecular Cocrystals

Crystal Growth & Design, Journal Year: 2020, Volume and Issue: 20(10), P. 7065 - 7079

Published: Aug. 26, 2020

Energetic cocrystallization is thriving now and presents a promising perspective to create new energetic materials (EMs). In comparison with the single-component EMs, creation of cocrystals exhibits greater significance crystal engineering, whose central scientific issue intermolecular interaction. This article reviews current progress in studying interactions molecular (EMCCs), as well stacking thermodynamics for EMCC formation. The include hydrogen bonding (HB), π interactions, halogen bonding. strength these found be generally weak, similar that crystals. By means cocrystallization, can improved prone layered stacking, facilitating low impact sensitivity. could feasible alleviating energy–safety contradiction EMs. driving force formation thought increase entropy, because EMCCs are nature products an randomness, small variation original pure components. Finally, dependence properties on compositions structures components proposed attract increasing attention, it base creating EMs tunable compositions, structures, by way engineering.

Language: Английский

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Strategies for constructing melt-castable energetic materials: A critical review

Energetic Materials Frontiers, Journal Year: 2021, Volume and Issue: 2(1), P. 69 - 85

Published: Feb. 16, 2021

Melt-castable energetic materials are utilized in a wide variety of civilian and military applications, such as construction, demolition, underwater blasting, mining, oil well perforation, munitions. 2,4,6-Trinitrotoluene (TNT) is traditionally-applied melt-castable explosive; however, its low physical-performance output, environmental pollution characteristics, safety issues restrict further development towards future industrial applications. This review addresses advances the design, synthesis, characterization new featuring fluorine, gem-dinitrofluoroethyl, nitrate ester groups nitrofurazan 1,2,4-oxadizaole skeletons, which have led to novel high-performance TNT candidates between 2012 2020.

Language: Английский

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Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation

CrystEngComm, Journal Year: 2018, Volume and Issue: 20(14), P. 2060 - 2067

Published: Jan. 1, 2018

A CL-20/DNDAP cocrystal explosive prepared by a spray drying method exhibited small particle size with narrow distribution and good comprehensive performance.

Language: Английский

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Packing Structures of CL-20-Based Cocrystals

Crystal Growth & Design, Journal Year: 2018, Volume and Issue: 18(11), P. 7065 - 7078

Published: Oct. 2, 2018

The CL-20-based cocrystals (CCCs) are now the most active in field of energetic cocrystals, due to an advantage high energy density while a disadvantage low stability CL-20, which may be tuned with desired structures and properties by cocrystallization. This work presents comprehensive insight into packing 27 CCCs observed since 2017. First, it shows multiplicity coformer molecules various shapes sizes. Regarding conformers, β-, γ-, η-, ε-, ζ-forms appear CCCs, total above that CL-20 polymorphs; two forms can exist same CCC highlights difference conformers between single component crystals cocrystals; γ- β-forms govern population 87%. conformational diversity serves as reason for abundance CCCs. Meanwhile, stoichiometric ratios from 1:1 1:6 except 1:5 observed, lower ones predominate populations 48 40% 1:2, respectively. Moreover, exhibits wavelike, sandwich, channel, caged molecular stacking Among these stacking, O···H, O···N, O···O contacts dominate weak intermolecular interactions, feature hydrogen bonding H atoms acyl/ether O molecules, p (of on NO2 CL-20)−π big π-bonds molecules) interactions. interactions contribute small volume variations after cocrystallization, maximum relative error ∼3%. Besides, each mediates those related pure components; no outperforms ε-CL-20 density. Finally, we find contents N facilitate increase coefficients densities. All findings expected enrich knowledge both materials enhance rationalization crystal design.

Language: Английский

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

Crystal Growth & Design, Journal Year: 2022, Volume and Issue: 22(2), P. 954 - 970

Published: Jan. 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.

Language: 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, Journal Year: 2024, Volume and Issue: 24(5), P. 1977 - 1986

Published: Feb. 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

Language: Английский

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