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

Qamar‐un‐Nisa Tariq,

Maher‐un‐Nisa Tariq,

Wen‐Shuai Dong

et al.

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(9), P. 6974 - 6987

Published: Aug. 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.

Language: Английский

High Energy Explosive with Low Sensitivity: A New Energetic Cocrystal Based on CL-20 and 1,4-DNI DOI
Yanwei Tan, Zongwei Yang,

Haojing Wang

et al.

Crystal Growth & Design, Journal Year: 2019, Volume and Issue: 19(8), P. 4476 - 4482

Published: June 24, 2019

A new 1:1 cocrystal explosive composed of 2,4,6,8,10,12-hexanitrohexaazaiso-wurtzitane (CL-20) and 1,4-dinitroimidazole (1,4-DNI) was synthesized through cocrystallization by slow solvent evaporation. The has a crystal density 1.922 g/cm3 at 296 K belongs to the orthorhombic system with P212121 space group. properties including thermal stability, impact sensitivity, detonation performances were studied. DSC test shows that melting point 115 °C decomposition temperature 253 °C, suggesting an excellent stability. Furthermore, exhibits energy 50% ignition probability 10 J, showing substantial reduction in sensitivity compared pure CL-20 HMX. Besides, predicted velocity pressure are 9242 m/s 39.01 GPa, respectively, which similar those Therefore, CL-20/1,4-DNI may be attractive high low and, thus, act as promising candidate instead HMX for vulnerability formulations future.

Language: Английский

Citations

79
Review of the Intermolecular Interactions in Energetic Molecular Cocrystals DOI
Guangrui Liu, Su‐Huai Wei, Chaoyang Zhang

et al.

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

Citations

79
Recent Advances in Synthesis and Properties of Nitrated-Pyrazoles Based Energetic Compounds DOI Creative Commons
Shijie Zhang, Zhenguo Gao, Di Lan

et al.

Molecules, Journal Year: 2020, Volume and Issue: 25(15), P. 3475 - 3475

Published: July 30, 2020

Nitrated-pyrazole-based energetic compounds have attracted wide publicity in the field of materials (EMs) due to their high heat formation, density, tailored thermal stability, and detonation performance. Many nitrated-pyrazole-based been developed meet increasing demands power, low sensitivity, eco-friendly environment, they good applications explosives, propellants, pyrotechnics. Continuous growing efforts committed promote rapid development EMs last decade, especially through large amounts Chinese research. Some ultimate aims are develop potential candidates castable explore novel insensitive energy materials, search for cost synthesis strategies, efficiency, green environmental protection, further widen EMs. This review article present recent processes physical explosive performances Ems, including monopyrazoles with nitro, bispyrazoles nitropyrazolo[4,3-c]pyrazoles, derivatives, comb trend these compounds. intends prompt fresh concepts designing prominent high-performance nitropyrazole-based

Language: Английский

Citations

72
Fabrication and characterization of surface modified HMX@PANI core-shell composites with enhanced thermal properties and desensitization via in situ polymerization DOI
Shijie Zhang, Zhenguo Gao, Qian Jia

et al.

Applied Surface Science, Journal Year: 2020, Volume and Issue: 515, P. 146042 - 146042

Published: March 10, 2020

Language: Английский

Citations

51
Energetic Cocrystallization as the Most Significant Crystal Engineering Way to Create New Energetic Materials DOI
Guangrui Liu, Rupeng Bu, Xin Huang

et al.

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

Citations

30
A review on advancement of cocrystallization approach and a brief on screening, formulation and characterization of the same DOI Creative Commons
Dhruv C. Sakhiya, Chetan Borkhataria

Heliyon, Journal Year: 2024, Volume and Issue: 10(7), P. e29057 - e29057

Published: April 1, 2024

The objective of this review is, to discuss recent advancements in screening methods for co-formers, evaluation cum confirmation and co-crystallization with examples. Co-crystals are considered as a new form an old drug entity. improve the stability, hygroscopicity, solubility, dissolution, physicochemical properties pure drugs without altering chemical pharmacological properties. Advancement co-crystal formulation like electrospray laser-irradiation showing potential solvent-free tends give better yield lesser loss materials. Screening also transformed from trial error in-silico methods, which facilitate selection process by reducing time increasing number co-formers be screened. Advanced Raman solid-state NMR spectroscopy provide understanding crystal lattice pinpointing interaction between drug/co-former molecules. same can differentiate formation salt co-crystals. helping open door pharmaceutical industries field improvement existing molecules several With motto "making good better", co-crystals show scope vast research researchers ocean opportunities make impossible, possible.

Language: Английский

Citations

7
A novel cocrystal composed of CL-20 and an energetic ionic salt DOI
Xiaopeng Zhang,

Shusen Chen,

Yige Wu

et al.

Chemical Communications, Journal Year: 2018, Volume and Issue: 54(94), P. 13268 - 13270

Published: Jan. 1, 2018

A novel nitroamine/energetic ionic salt cocrystal explosive containing CL-20 and 1-AMTN in a 1 : molar ratio is presented. The structure of this determined by single-crystal X-ray diffraction (SC-XRD). predicted detonation performance slightly higher than that RDX, state-of-the-art explosive. In small-scale impact drop tests, the exhibits surprisingly low sensitivity relative to CL-20. These features make very promising replace RDX.

Language: Английский

Citations

47
Nitramine-Based Energetic Cocrystals with Improved Stability and Controlled Reactivity DOI
Zhihua Xue, Binbin Huang, Hongzhen Li

et al.

Crystal Growth & Design, Journal Year: 2020, Volume and Issue: 20(12), P. 8124 - 8147

Published: Nov. 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.

Language: Английский

Citations

44
Molecular dynamics application of cocrystal energetic materials: A review DOI Creative Commons
Fuping Wang,

Guangyan Du,

Xinchi Liu

et al.

Nanotechnology Reviews, Journal Year: 2022, Volume and Issue: 11(1), P. 2141 - 2153

Published: Jan. 1, 2022

Abstract Cocrystallization is an important method to obtain high-energy and low-sensitivity explosives. Therefore, the synthesis, structures, properties of cocrystal energetic materials have become a highly active research topic. Studying physical chemical by molecular dynamics great significance for in-depth understanding design/synthesis new materials. This review introduces dynamics, synthesized successfully date, application The existing problems future development directions are discussed. We hope that this will encourage researchers interested in field design synthesize low-sensitive with practical value.

Language: Английский

Citations

25
Progress in Energy−Safety Balanced Cocrystallization of Four Commercially Attractive Nitramines DOI Creative Commons
Veerabhadragouda B. Patil, Svatopluk Zeman

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(17), P. 7361 - 7388

Published: Aug. 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.

Language: Английский

Citations

6