CL‐20/4,5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation DOI
Xuan Zhou, Liang Song, Xing Li

и другие.

Journal of the Chinese Chemical Society, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 25, 2024

Abstract CL‐20/4,5‐MDNI exists in two cocrystal forms with different stoichiometric ratios of 1:1 and 1:3. The properties (such as blast performance, thermal sensitivity, density) the cocrystals are significantly different, but both expected to become new high‐energy insensitive explosives have good applications. AE model molecular dynamics were used simulate crystal morphology important planes 1:3 under vacuum conditions, well five solvents temperatures. has main growth (002), (102), (111), (020) (021), which (002) largest proportion. six (001), (010), (011), (100), (101) (001) accounts for aspect ratio acetonitrile methanol 1.936 1.680, respectively. results consistent experiments, certain guiding significance obtain a closer spherical shape.

Язык: Английский

Interfacial self-assembling of nano-TATB@PDA embedded football-like CL-20 co-particles with reduced sensitivity DOI
Zhihua Xue, Ruixuan Xu,

Zikangping Wang

и другие.

Chemical Engineering Journal, Год журнала: 2024, Номер 488, С. 151010 - 151010

Опубликована: Апрель 4, 2024

Язык: Английский

Процитировано

17

Co-agglomerated crystals of cyclic nitramines with the nitrogen rich 3,6-bis(1H-1,2,3,4-tetrazol-5-ylamino)-1,2,4,5-tetrazine (BTATz) DOI
Veerabhadragouda B. Patil,

Petr Bělina,

W. A. Trzciński

и другие.

Chemical Engineering Journal, Год журнала: 2024, Номер 483, С. 149029 - 149029

Опубликована: Янв. 23, 2024

Язык: Английский

Процитировано

7

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

Crystal Growth & Design, Год журнала: 2024, Номер 24(17), С. 7361 - 7388

Опубликована: Авг. 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.

Язык: Английский

Процитировано

6

Novel approach for preparation of the energy-safety balanced cocrystals of attractive nitramines via coagglomeration DOI Creative Commons
Veerabhadragouda B. Patil, Svatopluk Zeman

FirePhysChem, Год журнала: 2024, Номер 4(4), С. 283 - 294

Опубликована: Март 6, 2024

Co-agglomeration unique crystal engineering approach; in which the co-precipitated micro-particles of nitramines with other energetic materials co-agglomerated by slurry method; to modify properties attractive like CL20, HMX, BCHMX, and RDX etc. The interesting structural modifications newly prepared crystals (CACs) one are discussed here. There notable variations morphologies packing crystals, including key relatively high density, melting point, impact sensitivity, detonation properties. These CACs overwhelming majority showing co-crystals. Apart from these aspects, co-agglomeration provides a huge opportunity tune performance existing is easy scale-up for industrial level. preliminary results also suggest that chemical factors involved preparation have tremendous improvements than conventional crystallization. With technological optimization this method can be employable scale production.

Язык: Английский

Процитировано

4

Towards to some published misconceptions about TNT and ɛ-CL20 DOI Creative Commons
Svatopluk Zeman, Veerabhadragouda B. Patil

FirePhysChem, Год журнала: 2024, Номер 5(1), С. 68 - 73

Опубликована: Июнь 1, 2024

The literature widely reported information about apparent high impact sensitivities of both the pure 2,4,6-trinitrotoluene (TNT; i.e. 14 - 16 J) and ɛ-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (ɛ-CL20; 2 4.4 J), which mostly correspond to BAM method determination. This brief overview discusses reasons these error data. physical organic chemistry approach this problem has confirmed Beijing Inst. Technology value 13.2 J for ɛ-CL20 LANL 39.2 TNT. morphological instability ɛ-CL20, when in contact with polar binders or plasticizers, might not have much influence on its application propellants. stabilization ɛ- β-CL20 upon entry into a cocrystal coformer having character polynitro compound (especially nitramines) could be practical importance. sensitivity TNT is important handling processing safety related specific samples. However, they cannot used molecular-structural analyses predictions as comparative standard, currently widespread literature.

Язык: Английский

Процитировано

4

Atmosphere effects on 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) nanoparticle pyrolysis: A ReaxFF Molecular Dynamics study DOI Creative Commons

Jia-lu Guan,

Guan-chen Dong,

Yidan Tao

и другие.

Energetic Materials Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0

The Effects of HMX and CL-20-Based Co-Particles on the Ignition and Combustion Performances of Aluminum Powders DOI Creative Commons
Zhihua Xue,

Weimeng Zhang,

Ruixuan Xu

и другие.

Aerospace, Год журнала: 2025, Номер 12(4), С. 272 - 272

Опубликована: Март 24, 2025

Energetic co-particles have been proven effective in balancing high-energy and safety performance, which might be used as insensitive oxidizers solid propellants. In this work, the high temperature interactions between several aluminum (Al) powders presence of ammonium perchlorate (AP) studied. The are based on octogen (HMX) hexanitrohexaazaisowurtzitane (CL-20), with balanced energy content performance. They to combine Al AP form either binary or ternary systems. Their release rate during decomposition combustion fully evaluated. Due intimate contact components co-particles, binary/ternary systems exhibit superior reaction efficiency compared relevant mechanical mixtures same formulations. These novel energetic maximum two times higher pressurization rate, 10% heat explosion, 53.8% flame propagation much shorter ignition delay than corresponding normal mixtures. For both HMX- CL-20-based co-particle systems, median size condensed products (CCPs) is smaller those mixtures, Al2O3. This indicates that advantages improving particles by eliminating their agglomeration.

Язык: Английский

Процитировано

0

Desensitization of HMX crystals by formation of co-particles with insensitive LLM-105 or FOX-7 DOI
Zhihua Xue, Yiran Zhang, Ruizhi Pu

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 163451 - 163451

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

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

Co-agglomerated crystals of cyclic nitramines with sterically crowded molecules DOI
Veerabhadragouda B. Patil, Qi‐Long Yan, W. A. Trzciński

и другие.

CrystEngComm, Год журнала: 2022, Номер 24(44), С. 7771 - 7785

Опубликована: Янв. 1, 2022

Co-crystallization of cyclic nitramines with sterically crowded molecules, i.e. , ε-2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (ε-CL-20) cis -1,3,4,6-tetranitrooctahydroimidazo-[4,5- d ]imidazole, is difficult, but co-agglomeration given good results.

Язык: Английский

Процитировано

12