Designing and property prediction of a novel three-component CL-20/HMX/TNAD energetic cocrystal explosive by MD method DOI

Guiyun Hang,

Tao Wang, Chao Lü

и другие.

Journal of Molecular Modeling, Год журнала: 2023, Номер 29(3)

Опубликована: Фев. 27, 2023

Язык: Английский

Particle Size-Controllable Preparation of a CL-20/HMX Cocrystal with High Energy and Low Sensitivity DOI Creative Commons

Songyuchen Ma,

Tao Liu,

Deqi Wang

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Апрель 21, 2025

To address the quality issues arising from uncontrollable morphological grain size in preparation of CL-20/HMX cocrystals, a novel method for producing high-quality cocrystals with well-defined sizes has been developed. The cocrystallization process was conducted using solvent/nonsolvent method, wherein mixing efficiency and solution supersaturation were precisely controlled through systematic optimization key parameters, including solvent composition, ratio, reaction temperature, stirring rate. Through experimental three distinct rhombohedral cocrystal samples uniform particle distributions morphologies successfully prepared, exhibiting characteristic D 50 values 20, 63, 130 μm. Comprehensive characterization revealed that SEM analysis demonstrated possess smooth surfaces regular geometric shapes. Combined XRD micro-CT analyses confirmed high crystallinity particularly noting reduced internal defects superior crystal perfection larger-grained samples. DSC measurements indicated enhanced thermal stability larger sizes. Furthermore, sensitivity testing showed are less sensitive than smaller-grained ones, which can be attributed to more compact structure crystals.

Язык: Английский

Процитировано

0

Discovery of energetic-energetic cocrystal polymorphs with high-energy, low-sensitivity DOI Creative Commons
Shen Qiao, Yanwei Tan, Zening Liu

и другие.

Defence Technology, Год журнала: 2025, Номер unknown

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material DOI
Victor P. Zelenov, Nikita М. Baraboshkin, Dmitry V. Khakimov

и другие.

CrystEngComm, Год журнала: 2020, Номер 22(29), С. 4823 - 4832

Опубликована: Янв. 1, 2020

A computer simulation of cocrystal structures [1,2,5]oxadiazolo[3,4-e][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzotrifuroxan (BTF) in ratios (3–1 : 1) was performed. Theoretically and experimentally shown: a (3 is formed.

Язык: Английский

Процитировано

23

Co-agglomerated crystals of 2,2′,4,4′,6,6′-hexanitro -stilbene/-azobenzene with attractive nitramines DOI
Veerabhadragouda B. Patil, Petr Bělina, W. A. Trzciński

и другие.

Chemical Engineering Journal, Год журнала: 2022, Номер 457, С. 141200 - 141200

Опубликована: Дек. 28, 2022

Язык: Английский

Процитировано

13

Designing and property prediction of a novel three-component CL-20/HMX/TNAD energetic cocrystal explosive by MD method DOI

Guiyun Hang,

Tao Wang, Chao Lü

и другие.

Journal of Molecular Modeling, Год журнала: 2023, Номер 29(3)

Опубликована: Фев. 27, 2023

Язык: Английский

Процитировано

8