Purification, crystal structure and properties of azoxytriazolone (AZTO)
June 2023
•The separation and purification of AZTO was achieved for the first time by a simple salt formation reaction.•The high purity AZTO shows excellent thermal stability (Tdec = 352 °C).•AZTO exhibits a...
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Initial unimolecular decomposition of 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan from quantum mechanics and ReaxFF molecular dynamics simulation
June 2023
High-energy-density materials (HEDMs) have a wide range of applications in many usages. Recently synthesized 3,4-bis(3-fluorodinitromethylfuroxan-4-yl) furoxan (BFTF-1), composed of furoxan rings and...
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Low rank coal for fuel production via microwave-assisted pyrolysis: A review
June 2023
Not only its abundant resources, but also low rank coal (LRC) can be transformed into different valuable chemical products via syngas. This review focuses on technology of microwave-assisted pyrolysis...
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Novel energetic salts based on nitrogen-rich fused ring cations: Synthesis, characterization and infrared laser ignition property
June 2023
In this work, four energetic nitrates, i.e., 4,7-diamino-1H-[1,2,3]triazolo[4,5-d]pyridazin-5-ium nitrate (1), 2,6-diamino-1‑hydroxy-9H-purine-1,7-diium nitrate (2), 6-amino-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-2-ium...
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In situ coating of energetic crystals: A compact core-shell structure with highly reduced sensitivity
June 2023
•A facile, efficient and industrially potential in situ polymerization method was used to coat three nitramine explosives.•The prepared core-shell composites featured significantly reduced sensitivity...
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A combined theoretical and experimental study of photo-induced intramolecular hydrogen transfer of 2,4,6-trinitrotoluene
June 2023
Photo-induced decay may serve as a way to decompose energetic materials under some special conditions, and understanding the related mechanism is crucial to guide the determination of storage, transport...
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Synthesis, characterization and properties of halogen-substituted 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene derivatives as energetic materials
June 2023
Azo-bridged FOX-7 derivatives with ultra-high theoretical detonation performance were seen as potential high-performance energetic materials. So far, most of the researches were focused on the diverse...
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Mechanism of thermal decomposition of 1-tert-butyl- and 1-ethyl-2-methoxydiazene-1-oxides
June 2023
The mechanism of thermal decomposition of 1-tert-butyl-2-methoxydiazene-1-oxide and 1-ethyl-2-methoxydiazene-1-oxide was investigated by quantum chemistry methods at the CCSD/aug-cc-pVDZ level. It was...
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Theoretical study of the Meisenheimer and charge-transfer complexes formed upon colorimetric determination of nitroaromatic explosives
June 2023
•The problem of colorimetric detection of nitroexplosives is studied theoretically.•Factors determining the nature of bonding in colored complexes of nitroexplosives are revealed.•The most appropriate...
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Morphology and properties of CL-20/MTNP cocrystal prepared via facile spray drying
June 2023
Cocrystal of 2,4,6,8,10,12-hexaazaisowurtzitane/1-methyl-3,4,5-trinitropyrazole (CL-20/MTNP) in a 1:1 molar ratio is a promising energetic material, since it combines the superior detonation performance...
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A short review of challenges and prospects of boron-laden solid fuels for ramjet applications
Available online 3 June 2023
This short review article explores the advancement, challenges, and prospects of boron-laden solid fuel for ramjet. The energetic aspect of boron combustion is well known, but the complications associated...
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Energetic Materials for Propulsion Applications
Available online 26 May 2023
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Rheological and printability evaluation of melt-cast explosives for fused deposition modeling (FDM) 3D printing
Available online 26 May 2023
The rheology of melt-cast explosives is vital for the fused deposition modeling (FDM) manufacturing process. To address this problem, the rheological behavior of 2,4,6-trinitrotoluene/1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane...
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Research progress on design, synthesis and performance of energetic polynitro hexaazaisowurtzitane derivatives: towards improved CL-20 analogues
Available online 25 May 2023
In order to discover of high-energy materials with characteristics that surpass modern benchmarks, it is necessary to study the widest range of potential structures. The design of energetic compounds...
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The research progress of the azidonitramine plasticizers: synthesis, properties and applications
Available online 24 May 2023
Plasticizers are functional additives that have been widely utilized to enhance the mechanical properties and processing technology of explosive systems. However, due to the increasing demand for energetic...
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Effect of Carbon Nanotubes (CNTs) on the Performance of Solid Rocket Propellants (SRPs): A Short Review
Available online 9 May 2023
Burning rate catalysts (BRCs) are usually utilized to adjust the burning rates of solid rocket propellants (SRPs). Carbon nanotubes (CNTs), for their unique structure and properties, have been studied...
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Purity analysis and by-product separation of pentazole sodium
Available online 7 May 2023
As an important intermediate in the synthesis of most energetic pentazole compounds, the reaction system of sodium pentazole is complex and has many by-products, but there is no suitable HPLC analysis...
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Development of high burn rate propellant and testing in miniature rocket motor for control applications
Available online 7 May 2023
For aerospace vehicles, notably missiles or satellites for attitude and divert control, impulsive thrusters are most desirable if they are quantized as exact instantaneous pulses available over and...
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Facile synthesis of fluorinated graphene for surface self-assembly of aluminum hydride
Available online 5 May 2023
A facile method, refluxing with hydrothermal process, was used to synthesize the fluorinated graphene sheets (FGS) with high F/C ratio. Then, the surface of Aluminum hydride (AlH3) was coated with FGS...
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Energetic Derivatives of 3,3’,5,5’-Tetranitro-4,4’-bipyrazole (TNBPz): Synthesis, Characterization and Properties
Available online 25 April 2023
3,3‘,5,5‘-Tetranitro-4,4‘-bipyrazole monohydrate (TNBPz, 1⋅H2O) is an excellent precursor for the synthesis of new energetic materials (2–12). Several nitrogen-rich salts (e.g. guanidinium, aminoguanidinium,...
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Theoretical Study on the Interaction between Cis-2 Bis(benzofuro) [60]fullerene Derivative and NO Dominated Double Gas Molecule
Available online 14 April 2023
The interaction between cis-2 bis(benzofuro) [60]fullerene derivative and NO dominated double gas molecule was studied at the 6-311G(d,p) basis set level by density functional theory B3LYP-D3 method....
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The relationships between direct substituents, aromaticity and kinetic stability of pentazole ring
Available online 7 April 2023
The two directly substituted pentazoles, N5NH2 and N5COOH, were designed to theoretically study the relationships between substituents, aromaticity and kinetic stability thereof. Analysis shows their...
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Searching for the analogues of 1,1-dinitro-2,2-diamino ethylene (FOX-7) by high-throughput computation and machine learning
Available online 5 April 2023
1,1-dinitro-2,2-diamino ethylene (FOX-7) is typically representative of low sensitivity and high energy compound. In this work, analogues of FOX-7 are screened using a combined method of high-throughput...
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Atomic insights into the thermal decomposition mechanism and cluster growth law of nanoscale HMX and LLM-126 mixture: A ReaxFF-lg molecular dynamics study
Available online 5 April 2023
In this paper, the thermal decomposition process and cluster growth law of the HMX/LLM-126 nanoscale mixture system were studied by ReaxFF-lg combined with DFT, and the thermostability of the mixture...
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Agglomeration of particles stored in a box
Available online 1 April 2023
Metallic nanoparticles are an essential part of advanced rocket fuels. Because of difficulties caused by hard ignition, incomplete reaction, and large size of combustion residues metallic particles...
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