A new solvate of a powerful explosive 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and liquid oxidizer N O has been synthesized. When stored at room temperature, the white crystals turn yellowish brown, which indicates partial dissociation of N O with the formation of a stable NO free radical, which is confirmed by ESR spectroscopy. The resulting solvate was analyzed by powder X-ray diffraction, IR-spectroscopy, differential scanning calorimetry and thermogravimetric analysis. The vapor pressure of NO above the solvate crystals is similar to the pressure above common hydrates. The presence of the NO radical does not affect the thermal stability of CL-20. However, under closed conditions, NO increases the rate of the autocatalytic decomposition reaction. The kinetics of this reaction at the surface temperature determine the burning rate of the solvate. The novel solvate has a high density (1.98 g cm ), a high predicted detonation velocity and pressure, and sensitivity to impact slightly higher to that of ϵ-CL-20.
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http://dx.doi.org/10.1002/cplu.202000534 | DOI Listing |
Phys Chem Chem Phys
January 2025
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China.
Energetic materials often possess different polymorphs that exhibit distinguishable performances. As a typical energetic material, hexanitrohexaazaisowurtzitane (CL-20 or HNIW) is one of the most powerful explosives nowadays. Phase transition of CL-20 induced by ubiquitous water vapor leading to an increase in sensitivity and a decrease in energy level is a key bottleneck that limits the widespread application of CL-20-based explosives.
View Article and Find Full Text PDFJ Mol Model
January 2025
Shanxi Jiangyang Chemical Industry Corporation, Taiyuan, 030041, Shanxi, China.
Context: To address the issue that the output charge in existing Deflagration to Detonation Transition (DDT) detonators cannot withstand high temperatures of 200 °C, and to improve the output performance of the detonator, a CL-20 (Hexanitrohexaazaisowurtzitane) based polymer bonded explosive (PBX) was investigated as the primary charge material for the detonator. To select the most suitable binder for thermal resistance, molecular dynamics (MD) simulations were employed to evaluate the performance of different binders at various crystal planes and temperatures. The results indicate that among the five PBXs models, CL-20/F exhibits the highest binding energy and the shortest bond initiation length at both ambient and elevated temperatures.
View Article and Find Full Text PDFChemistry
January 2025
Department of Chemistry, Moscow State University, 119991, Moscow, Leninskie gory 1-3, Russia.
We provide important novel insights into skeletal transformations of fullerene by reporting new cases of cage shrinkage in the most abundant C fullerene via a C loss. High-temperature (400-500 °C) chlorination of IPR C with SbCl or SbCl/SbCl mixtures predominantly gives non-IPR CCl compounds via Stone-Wales rearrangements, but the present study further reveals non-classical CCl chlorofullerenes as by-products. The new C(NC1)Cl and C(NC1)Cl chlorides have been isolated by air-free HPLC and structurally characterized by X-ray crystallography.
View Article and Find Full Text PDFJDS Commun
November 2024
Department of Medical Sciences, School of Veterinary Medicine, University of Wisconsin-Madison, Madison, WI 53706.
We investigated the effect of an additional GnRH 2 d after initiation of resynchronization on d 25 post-AI on the proportion of cows without a corpus luteum (CL) at nonpregnancy diagnosis (NPD) and pregnancy per AI (P/AI) of cows with a CL at NPD that were reinseminated. Once per week, cows that were inseminated 25 d earlier were randomly assigned to receive either a GnRH treatment only (G25) or GnRH on this day and 2 d later (G25&27). Pregnancy diagnosis and CL presence were determined d 32 post-AI using ultrasonography.
View Article and Find Full Text PDFNanomaterials (Basel)
November 2024
Institute for Computation in Molecular and Materials Science, School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
The reactive molecular dynamics method was employed to examine the thermal decomposition process of aluminized hydride (AlH) containing explosive nanoparticles with a core-shell structure under high temperature. The core was composed of the explosives RDX, HMX, and CL-20, while the shell was composed of AlH. It was demonstrated that the CL-20@AlH NPs decomposed at a faster rate than the other NPs, and elevated temperatures could accelerate the initial decomposition of the explosive molecules.
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