Development and Evolution of Energetic Cocrystals

Accounts of Chemical Research, Journal Year: 2021, Volume and Issue: 54(7), P. 1699 - 1710

Published: March 16, 2021

In spite of the importance energetic materials to a broad range military (munitions, missiles) and civilian (mining, space exploration) technologies, introduction new chemical entities in field occurs at very slow pace. This situation is understandable considering stringent requirements for cost safety that must be met fielded. If existing manufacturing infrastructure could leveraged, then this would offer fundamental shift discovery paradigm. Cocrystallization an approach poised realize goal because it can use make compositions through assembly multiple unique components solid state. account describes early proof-of-principle studies with widely used energetics field, including 2,4,6-trinitrotoluene (TNT) octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), forming cocrystals nonenergetic coformers alter key properties such as density, sensitivity, morphology. The evolution these produce between two detailed, those exploiting intermolecular interaction motifs drive halogen bonding. Implications cocrystallization performance, sensitivity external stimuli, manufacturability are explored each stage. derivation many from common satisfies using already demonstrated cost-effective scale well-understood profiles. concludes discussion cocrystallizing molecules having excess oxidizing power oxygen-deficient push limits explosive performance unprecedented levels. purposeful production arbitrary combination into cocrystal far certain, but described motivate continued exploration novel development predictive models identifying crystallization partners. When form, their most important cannot predicted, pointing another challenge based on cocrystallization.

Language: Английский

---

Efficient construction of double-shelled Ammonium perchlorate based energetic microunits with multiple performance via solvent evaporation method

Fuel, Journal Year: 2025, Volume and Issue: 386, P. 134180 - 134180

Published: Jan. 7, 2025

Language: Английский

---

5,6-Fused bicyclic tetrazolo-pyridazine energetic materials

Chemical Communications, Journal Year: 2020, Volume and Issue: 56(10), P. 1493 - 1496

Published: Jan. 1, 2020

Two 5,6-fused tetrazolo-pyridazine compounds were synthesized and characterized, which exhibited high thermal stability, excellent energetic properties low mechanical sensitivity.

Language: Английский

---

Taming nitroformate through encapsulation with nitrogen-rich hydrogen-bonded organic frameworks

Nature Communications, Journal Year: 2021, Volume and Issue: 12(1)

Published: April 9, 2021

Abstract Owing to its simple preparation and high oxygen content, nitroformate [ − C(NO 2 ) 3 , NF] is an extremely attractive oxidant component for propellants explosives. However, the poor thermostability of NF-based derivatives has been unconquerable barrier more than 150 years, thus hindering application. In this study, first example a nitrogen-rich hydrogen-bonded organic framework (HOF-NF) designed constructed through self-assembly in energetic materials, which NF anions are trapped pores resulting via dual force ionic hydrogen bonds from strengthened framework. These factors lead decomposition temperature HOF-NF moiety being 200 °C, exceeds challenge thermal stability over 180 °C time among compounds. A large number compounds with stabilities excellent properties can be synthesized on basis work.

Language: Английский

---

A review on the high energy oxidizer ammonium dinitramide: Its synthesis, thermal decomposition, hygroscopicity, and application in energetic materials

Defence Technology, Journal Year: 2022, Volume and Issue: 19, P. 163 - 195

Published: May 28, 2022

Ammonium dinitramide (ADN) is considered as a potential substitute for ammonium perchlorate in energetic materials due to its high density, positive oxygen balance, and halogen-free characteristics. However, application has been severely limited because of strong hygroscopicity, difficult storage, incompatibility with isocyanate curing agents. In order better bloom the advantages highly environment-friendly ADN fields materials, an in-depth analysis current situation discussion key research points are particularly important. this paper, detailed overview on synthesis, thermal decomposition, hygroscopic mechanism, anti-hygroscopicity discussed, powdes explosives also presented, future directions proposed.

Language: Английский

---

Challenging the Limitations of Tetranitro Biimidazole through Introducing a gem-Dinitromethyl Scaffold

Organic Letters, Journal Year: 2023, Volume and Issue: 25(8), P. 1290 - 1294

Published: Feb. 16, 2023

A gem-dinitromethyl group was successfully introduced into the TNBI·2H2O structure (TNBI: 4,4′,5,5′-tetranitro-2,2′-bi-1H-imidazole) to obtain 1-(dinitromethyl)-4,4′,5,5′-tetranitro-1H,1′H-2,2′-biimidazole (DNM-TNBI). Benefiting from transformation of an N-H proton a group, current limitations TNBI were well solved. More importantly, DNM-TNBI has high density (1.92 g·cm–3, 298 K), good oxygen balance (15.3%), and excellent detonation properties (Dv = 9102 m·s–1, P 37.6 GPa), suggesting that it great potential as oxidizer or high-performance energetic material.

Language: Английский

---

Metal-Free Hexagonal Perovskite High-Energetic Materials with NH3OH+/NH2NH3+ as B-Site Cations

Engineering, Journal Year: 2020, Volume and Issue: 6(9), P. 1013 - 1018

Published: July 16, 2020

Designing and synthesizing more advanced high-energetic materials for practical use via a simple synthetic route are two of the most important issues development energetic materials. Through an elaborate design rationally selected molecular components, new metal-free hexagonal perovskite compounds, which named as DAP-6 DAP-7 with general formula (H2dabco)B(ClO4)3 (H2dabco2+ = 1,4-diazabicyclo[2.2.2]octane-1,4-diium), were fabricated easily scaled-up using NH3OH+ NH2NH3+ B-site cations, respectively. Compared their NH4+ analog ((H2dabco)(NH4)(ClO4)3; DAP-4), has cubic structure, have higher crystal densities enthalpies formation, thus exhibiting calculated detonation performances. Specifically, ultrahigh thermal stability (decomposition temperatures (Td) 375.3 °C), high velocity (D 8.883 km·s−1), pressure (P 35.8 GPa); therefore, it exhibits potential heat-resistant explosive. Similarly, (Td 245.9 °C) excellent performance 9.123 km·s−1, P 38.1 GPa). Nevertheless, also possesses remarkably heat (Q 6.35 kJ·g−1) specific impulse (Isp 265.3 s), is superior to that hexanitrohexaazaisowurtzitane (CL-20; Q 6.23 kJ·g−1, Isp 264.8 s). Thus, can serve promising high-performance material use.

Language: Английский

---

Embellishing bis-1,2,4-triazole with four nitroamino groups: advanced high-energy-density materials with remarkable performance and good stability

Journal of Materials Chemistry A, Journal Year: 2020, Volume and Issue: 8(23), P. 11752 - 11760

Published: Jan. 1, 2020

Tetranitroamino HEDMs based on bis-triazole with comparable performance to CL-20 (D: 9421 and 9609 m s⁻¹) superior stability.

Language: Английский

---

Structure–Performance Relationship in Thermally Stable Energetic Materials: Tunable Physical Properties of Benzopyridotetraazapentalene by Incorporating Amino Groups, Hydrogen Bonding, and π–π Interactions

Crystal Growth & Design, Journal Year: 2020, Volume and Issue: 20(3), P. 2106 - 2114

Published: Feb. 14, 2020

Structure–performance investigation has become one of those significant trends for energetic materials and crystallography inevitably. Herein, we report two new deriving from a famous thermally stable explosive benzopyridotetraazapentalene, which was first developed by Huynh Hiskey, et al., at Los Alamos National Laboratory. Owing to the incorporation amino groups, these exhibit different amusing physical performance. Understanding their structures, properties, performances, relationship among them is basis rational design materials. Moreover, conjugated systems, density overlap regions indicator analysis also employed necessarily visualizing quantifying covalent noncovalent interactions. It evident that this strategy incorporating groups into increased coplanarity fused ring, owing contribution hydrogen bonding π–π interactions, can further decrease sensitivity. However, found integrity intramolecular -bonding interaction critical factor, affected thermal stability molecules with inserting progressively. notable diamino-substituted compound 8 exhibits comparable (320 °C) HNS, more dense (d: 1.84 g cm–3), higher nitrogen content (37.43%), lower sensitivity (impact sensitivity: 12 J, friction > 360 N), superior HNS. These discoveries effectively assist preparation other promising toward future high-performing energy applications.

Language: Английский

---

Unraveling the direct effect of hydrogen bonding on density and thermostability of energetic materials through isomerism

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 444, P. 136539 - 136539

Published: April 22, 2022

Language: Английский

---